Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:42:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YAl.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 27 8 1285 601 98 Max 46 28 9 1290 610 101 Sum 1641 993 295 46367 21781 3557 bravais-lattice index = 14 lattice parameter (alat) = 11.4886 a.u. unit-cell volume = 662.1299 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.488615 celldm(2)= 1.000000 celldm(3)= 0.721275 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.795925 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.795925 0.605396 0.000000 ) a(3) = ( 0.000000 0.000000 0.721275 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.314718 -0.000000 ) b(2) = ( 0.000000 1.651812 -0.000000 ) b(3) = ( 0.000000 0.000000 1.386434 ) PseudoPot. # 1 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Al 3.00 26.98150 Al( 1.00) Y 11.00 88.90590 Y( 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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0060523 0.0179545 -0.0000000), wk = 0.0024631 k( 3) = ( 0.0121047 0.0359089 -0.0000000), wk = 0.0024631 k( 4) = ( 0.0181571 0.0538634 -0.0000000), wk = 0.0024631 k( 5) = ( 0.0242094 0.0718179 -0.0000000), wk = 0.0024631 k( 6) = ( 0.0302618 0.0897724 -0.0000000), wk = 0.0024631 k( 7) = ( 0.0363141 0.1077268 -0.0000000), wk = 0.0024631 k( 8) = ( 0.0423665 0.1256813 -0.0000000), wk = 0.0024631 k( 9) = ( 0.0484188 0.1436358 -0.0000000), wk = 0.0024631 k( 10) = ( 0.0544712 0.1615903 -0.0000000), wk = 0.0024631 k( 11) = ( 0.0605235 0.1795448 -0.0000000), wk = 0.0024631 k( 12) = ( 0.0665759 0.1974992 -0.0000000), wk = 0.0024631 k( 13) = ( 0.0726282 0.2154537 -0.0000000), wk = 0.0024631 k( 14) = ( 0.0786806 0.2334082 -0.0000000), wk = 0.0024631 k( 15) = ( 0.0847329 0.2513627 -0.0000000), wk = 0.0024631 k( 16) = ( 0.0907853 0.2693171 -0.0000000), wk = 0.0024631 k( 17) = ( 0.0968376 0.2872716 -0.0000000), wk = 0.0024631 k( 18) = ( 0.1028900 0.3052261 -0.0000000), wk = 0.0024631 k( 19) = ( 0.1089423 0.3231806 -0.0000000), wk = 0.0024631 k( 20) = ( 0.1149947 0.3411350 -0.0000000), wk = 0.0024631 k( 21) = ( 0.1210470 0.3590895 -0.0000000), wk = 0.0024631 k( 22) = ( 0.1270994 0.3770440 -0.0000000), wk = 0.0024631 k( 23) = ( 0.1331517 0.3949985 -0.0000000), wk = 0.0024631 k( 24) = ( 0.1392041 0.4129530 -0.0000000), wk = 0.0024631 k( 25) = ( 0.1452564 0.4309074 -0.0000000), wk = 0.0024631 k( 26) = ( 0.1513088 0.4488619 -0.0000000), wk = 0.0024631 k( 27) = ( 0.1573611 0.4668164 -0.0000000), wk = 0.0024631 k( 28) = ( 0.1634135 0.4847709 -0.0000000), wk = 0.0024631 k( 29) = ( 0.1694658 0.5027253 -0.0000000), wk = 0.0024631 k( 30) = ( 0.1755182 0.5206798 -0.0000000), wk = 0.0024631 k( 31) = ( 0.1815705 0.5386343 -0.0000000), wk = 0.0024631 k( 32) = ( 0.1876229 0.5565888 -0.0000000), wk = 0.0024631 k( 33) = ( 0.1936752 0.5745432 -0.0000000), wk = 0.0024631 k( 34) = ( 0.1997276 0.5924977 -0.0000000), wk = 0.0024631 k( 35) = ( 0.2057799 0.6104522 -0.0000000), wk = 0.0024631 k( 36) = ( 0.2118323 0.6284067 -0.0000000), wk = 0.0024631 k( 37) = ( 0.2178846 0.6463612 -0.0000000), wk = 0.0024631 k( 38) = ( 0.2239370 0.6643156 -0.0000000), wk = 0.0024631 k( 39) = ( 0.2299893 0.6822701 -0.0000000), wk = 0.0024631 k( 40) = ( 0.2360417 0.7002246 -0.0000000), wk = 0.0024631 k( 41) = ( 0.2420940 0.7181790 -0.0000000), wk = 0.0024631 k( 42) = ( 0.2481464 0.7361335 -0.0000000), wk = 0.0024631 k( 43) = ( 0.2541987 0.7540880 -0.0000000), wk = 0.0024631 k( 44) = ( 0.2602511 0.7720425 -0.0000000), wk = 0.0024631 k( 45) = ( 0.2663034 0.7899969 -0.0000000), wk = 0.0024631 k( 46) = ( 0.2723558 0.8079514 -0.0000000), wk = 0.0024631 k( 47) = ( 0.2784081 0.8259059 -0.0000000), wk = 0.0024631 k( 48) = ( 0.2784081 0.8259059 -0.0000000), wk = 0.0024631 k( 49) = ( 0.2598476 0.8259059 -0.0000000), wk = 0.0024631 k( 50) = ( 0.2412871 0.8259059 -0.0000000), wk = 0.0024631 k( 51) = ( 0.2227265 0.8259059 -0.0000000), wk = 0.0024631 k( 52) = ( 0.2041660 0.8259059 -0.0000000), wk = 0.0024631 k( 53) = ( 0.1856054 0.8259059 -0.0000000), wk = 0.0024631 k( 54) = ( 0.1670449 0.8259059 -0.0000000), wk = 0.0024631 k( 55) = ( 0.1484843 0.8259059 -0.0000000), wk = 0.0024631 k( 56) = ( 0.1299238 0.8259059 -0.0000000), wk = 0.0024631 k( 57) = ( 0.1113632 0.8259059 -0.0000000), wk = 0.0024631 k( 58) = ( 0.0928027 0.8259059 -0.0000000), wk = 0.0024631 k( 59) = ( 0.0742422 0.8259059 -0.0000000), wk = 0.0024631 k( 60) = ( 0.0556816 0.8259059 -0.0000000), wk = 0.0024631 k( 61) = ( 0.0371211 0.8259059 -0.0000000), wk = 0.0024631 k( 62) = ( 0.0185605 0.8259059 -0.0000000), wk = 0.0024631 k( 63) = ( 0.0000000 0.8259059 -0.0000000), wk = 0.0024631 k( 64) = ( 0.0000000 0.8259059 -0.0000000), wk = 0.0024631 k( 65) = ( 0.0000000 0.8259059 0.0192560), wk = 0.0024631 k( 66) = ( 0.0000000 0.8259059 0.0385121), wk = 0.0024631 k( 67) = ( 0.0000000 0.8259059 0.0577681), wk = 0.0024631 k( 68) = ( 0.0000000 0.8259059 0.0770241), wk = 0.0024631 k( 69) = ( 0.0000000 0.8259059 0.0962801), wk = 0.0024631 k( 70) = ( 0.0000000 0.8259059 0.1155362), wk = 0.0024631 k( 71) = ( 0.0000000 0.8259059 0.1347922), wk = 0.0024631 k( 72) = ( 0.0000000 0.8259059 0.1540482), wk = 0.0024631 k( 73) = ( 0.0000000 0.8259059 0.1733043), wk = 0.0024631 k( 74) = ( 0.0000000 0.8259059 0.1925603), wk = 0.0024631 k( 75) = ( 0.0000000 0.8259059 0.2118163), wk = 0.0024631 k( 76) = ( 0.0000000 0.8259059 0.2310724), wk = 0.0024631 k( 77) = ( 0.0000000 0.8259059 0.2503284), wk = 0.0024631 k( 78) = ( 0.0000000 0.8259059 0.2695844), wk = 0.0024631 k( 79) = ( 0.0000000 0.8259059 0.2888404), wk = 0.0024631 k( 80) = ( 0.0000000 0.8259059 0.3080965), wk = 0.0024631 k( 81) = ( 0.0000000 0.8259059 0.3273525), wk = 0.0024631 k( 82) = ( 0.0000000 0.8259059 0.3466085), wk = 0.0024631 k( 83) = ( 0.0000000 0.8259059 0.3658646), wk = 0.0024631 k( 84) = ( 0.0000000 0.8259059 0.3851206), wk = 0.0024631 k( 85) = ( 0.0000000 0.8259059 0.4043766), wk = 0.0024631 k( 86) = ( 0.0000000 0.8259059 0.4236326), wk = 0.0024631 k( 87) = ( 0.0000000 0.8259059 0.4428887), wk = 0.0024631 k( 88) = ( 0.0000000 0.8259059 0.4621447), wk = 0.0024631 k( 89) = ( 0.0000000 0.8259059 0.4814007), wk = 0.0024631 k( 90) = ( 0.0000000 0.8259059 0.5006568), wk = 0.0024631 k( 91) = ( 0.0000000 0.8259059 0.5199128), wk = 0.0024631 k( 92) = ( 0.0000000 0.8259059 0.5391688), wk = 0.0024631 k( 93) = ( 0.0000000 0.8259059 0.5584249), wk = 0.0024631 k( 94) = ( 0.0000000 0.8259059 0.5776809), wk = 0.0024631 k( 95) = ( 0.0000000 0.8259059 0.5969369), wk = 0.0024631 k( 96) = ( 0.0000000 0.8259059 0.6161929), wk = 0.0024631 k( 97) = ( 0.0000000 0.8259059 0.6354490), wk = 0.0024631 k( 98) = ( 0.0000000 0.8259059 0.6547050), wk = 0.0024631 k( 99) = ( 0.0000000 0.8259059 0.6739610), wk = 0.0024631 k( 100) = ( 0.0000000 0.8259059 0.6932171), wk = 0.0024631 k( 101) = ( 0.0000000 0.8259059 0.6932171), wk = 0.0024631 k( 102) = ( 0.0185605 0.8259059 0.6932171), wk = 0.0024631 k( 103) = ( 0.0371211 0.8259059 0.6932171), wk = 0.0024631 k( 104) = ( 0.0556816 0.8259059 0.6932171), wk = 0.0024631 k( 105) = ( 0.0742422 0.8259059 0.6932171), wk = 0.0024631 k( 106) = ( 0.0928027 0.8259059 0.6932171), wk = 0.0024631 k( 107) = ( 0.1113632 0.8259059 0.6932171), wk = 0.0024631 k( 108) = ( 0.1299238 0.8259059 0.6932171), wk = 0.0024631 k( 109) = ( 0.1484843 0.8259059 0.6932171), wk = 0.0024631 k( 110) = ( 0.1670449 0.8259059 0.6932171), wk = 0.0024631 k( 111) = ( 0.1856054 0.8259059 0.6932171), wk = 0.0024631 k( 112) = ( 0.2041660 0.8259059 0.6932171), wk = 0.0024631 k( 113) = ( 0.2227265 0.8259059 0.6932171), wk = 0.0024631 k( 114) = ( 0.2412871 0.8259059 0.6932171), wk = 0.0024631 k( 115) = ( 0.2598476 0.8259059 0.6932171), wk = 0.0024631 k( 116) = ( 0.2784081 0.8259059 0.6932171), wk = 0.0024631 k( 117) = ( 0.2784081 0.8259059 0.6932171), wk = 0.0024631 k( 118) = ( 0.2723558 0.8079514 0.6932171), wk = 0.0024631 k( 119) = ( 0.2663034 0.7899969 0.6932171), wk = 0.0024631 k( 120) = ( 0.2602511 0.7720425 0.6932171), wk = 0.0024631 k( 121) = ( 0.2541987 0.7540880 0.6932171), wk = 0.0024631 k( 122) = ( 0.2481464 0.7361335 0.6932171), wk = 0.0024631 k( 123) = ( 0.2420940 0.7181790 0.6932171), wk = 0.0024631 k( 124) = ( 0.2360417 0.7002246 0.6932171), wk = 0.0024631 k( 125) = ( 0.2299893 0.6822701 0.6932171), wk = 0.0024631 k( 126) = ( 0.2239370 0.6643156 0.6932171), wk = 0.0024631 k( 127) = ( 0.2178846 0.6463612 0.6932171), wk = 0.0024631 k( 128) = ( 0.2118323 0.6284067 0.6932171), wk = 0.0024631 k( 129) = ( 0.2057799 0.6104522 0.6932171), wk = 0.0024631 k( 130) = ( 0.1997276 0.5924977 0.6932171), wk = 0.0024631 k( 131) = ( 0.1936752 0.5745432 0.6932171), wk = 0.0024631 k( 132) = ( 0.1876229 0.5565888 0.6932171), wk = 0.0024631 k( 133) = ( 0.1815705 0.5386343 0.6932171), wk = 0.0024631 k( 134) = ( 0.1755182 0.5206798 0.6932171), wk = 0.0024631 k( 135) = ( 0.1694658 0.5027253 0.6932171), wk = 0.0024631 k( 136) = ( 0.1634135 0.4847709 0.6932171), wk = 0.0024631 k( 137) = ( 0.1573611 0.4668164 0.6932171), wk = 0.0024631 k( 138) = ( 0.1513088 0.4488619 0.6932171), wk = 0.0024631 k( 139) = ( 0.1452564 0.4309074 0.6932171), wk = 0.0024631 k( 140) = ( 0.1392041 0.4129530 0.6932171), wk = 0.0024631 k( 141) = ( 0.1331517 0.3949985 0.6932171), wk = 0.0024631 k( 142) = ( 0.1270994 0.3770440 0.6932171), wk = 0.0024631 k( 143) = ( 0.1210470 0.3590895 0.6932171), wk = 0.0024631 k( 144) = ( 0.1149947 0.3411350 0.6932171), wk = 0.0024631 k( 145) = ( 0.1089423 0.3231806 0.6932171), wk = 0.0024631 k( 146) = ( 0.1028900 0.3052261 0.6932171), wk = 0.0024631 k( 147) = ( 0.0968376 0.2872716 0.6932171), wk = 0.0024631 k( 148) = ( 0.0907853 0.2693171 0.6932171), wk = 0.0024631 k( 149) = ( 0.0847329 0.2513627 0.6932171), wk = 0.0024631 k( 150) = ( 0.0786806 0.2334082 0.6932171), wk = 0.0024631 k( 151) = ( 0.0726282 0.2154537 0.6932171), wk = 0.0024631 k( 152) = ( 0.0665759 0.1974992 0.6932171), wk = 0.0024631 k( 153) = ( 0.0605235 0.1795448 0.6932171), wk = 0.0024631 k( 154) = ( 0.0544712 0.1615903 0.6932171), wk = 0.0024631 k( 155) = ( 0.0484188 0.1436358 0.6932171), wk = 0.0024631 k( 156) = ( 0.0423665 0.1256813 0.6932171), wk = 0.0024631 k( 157) = ( 0.0363141 0.1077268 0.6932171), wk = 0.0024631 k( 158) = ( 0.0302618 0.0897724 0.6932171), wk = 0.0024631 k( 159) = ( 0.0242094 0.0718179 0.6932171), wk = 0.0024631 k( 160) = ( 0.0181571 0.0538634 0.6932171), wk = 0.0024631 k( 161) = ( 0.0121047 0.0359089 0.6932171), wk = 0.0024631 k( 162) = ( 0.0060523 0.0179545 0.6932171), wk = 0.0024631 k( 163) = ( 0.0000000 0.0000000 0.6932171), wk = 0.0024631 k( 164) = ( 0.0000000 0.0000000 0.6932171), wk = 0.0024631 k( 165) = ( 0.0000000 0.0000000 0.6739610), wk = 0.0024631 k( 166) = ( 0.0000000 0.0000000 0.6547050), wk = 0.0024631 k( 167) = ( 0.0000000 0.0000000 0.6354490), wk = 0.0024631 k( 168) = ( 0.0000000 0.0000000 0.6161929), wk = 0.0024631 k( 169) = ( 0.0000000 0.0000000 0.5969369), wk = 0.0024631 k( 170) = ( 0.0000000 0.0000000 0.5776809), wk = 0.0024631 k( 171) = ( 0.0000000 0.0000000 0.5584249), wk = 0.0024631 k( 172) = ( 0.0000000 0.0000000 0.5391688), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.5199128), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.5006568), wk = 0.0024631 k( 175) = ( 0.0000000 0.0000000 0.4814007), wk = 0.0024631 k( 176) = ( 0.0000000 0.0000000 0.4621447), wk = 0.0024631 k( 177) = ( 0.0000000 0.0000000 0.4428887), wk = 0.0024631 k( 178) = ( 0.0000000 0.0000000 0.4236326), wk = 0.0024631 k( 179) = ( 0.0000000 0.0000000 0.4043766), wk = 0.0024631 k( 180) = ( 0.0000000 0.0000000 0.3851206), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.3658646), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.3466085), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.3273525), wk = 0.0024631 k( 184) = ( 0.0000000 0.0000000 0.3080965), wk = 0.0024631 k( 185) = ( 0.0000000 0.0000000 0.2888404), wk = 0.0024631 k( 186) = ( 0.0000000 0.0000000 0.2695844), wk = 0.0024631 k( 187) = ( 0.0000000 0.0000000 0.2503284), wk = 0.0024631 k( 188) = ( 0.0000000 0.0000000 0.2310724), wk = 0.0024631 k( 189) = ( 0.0000000 0.0000000 0.2118163), wk = 0.0024631 k( 190) = ( 0.0000000 0.0000000 0.1925603), wk = 0.0024631 k( 191) = ( 0.0000000 0.0000000 0.1733043), wk = 0.0024631 k( 192) = ( 0.0000000 0.0000000 0.1540482), wk = 0.0024631 k( 193) = ( 0.0000000 0.0000000 0.1347922), wk = 0.0024631 k( 194) = ( 0.0000000 0.0000000 0.1155362), wk = 0.0024631 k( 195) = ( 0.0000000 0.0000000 0.0962801), wk = 0.0024631 k( 196) = ( 0.0000000 0.0000000 0.0770241), wk = 0.0024631 k( 197) = ( 0.0000000 0.0000000 0.0577681), wk = 0.0024631 k( 198) = ( 0.0000000 0.0000000 0.0385121), wk = 0.0024631 k( 199) = ( 0.0000000 0.0000000 0.0192560), wk = 0.0024631 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 202) = ( -0.0178571 0.0060195 0.0000000), wk = 0.0024631 k( 203) = ( -0.0357143 0.0120391 -0.0000000), wk = 0.0024631 k( 204) = ( -0.0535714 0.0180586 -0.0000000), wk = 0.0024631 k( 205) = ( -0.0714286 0.0240782 -0.0000000), wk = 0.0024631 k( 206) = ( -0.0892857 0.0300977 0.0000000), wk = 0.0024631 k( 207) = ( -0.1071429 0.0361172 -0.0000000), wk = 0.0024631 k( 208) = ( -0.1250000 0.0421368 0.0000000), wk = 0.0024631 k( 209) = ( -0.1428571 0.0481563 -0.0000000), wk = 0.0024631 k( 210) = ( -0.1607143 0.0541759 -0.0000000), wk = 0.0024631 k( 211) = ( -0.1785714 0.0601954 0.0000000), wk = 0.0024631 k( 212) = ( -0.1964286 0.0662149 -0.0000000), wk = 0.0024631 k( 213) = ( -0.2142857 0.0722345 0.0000000), wk = 0.0024631 k( 214) = ( -0.2321429 0.0782540 0.0000000), wk = 0.0024631 k( 215) = ( -0.2500000 0.0842736 0.0000000), wk = 0.0024631 k( 216) = ( -0.2678571 0.0902931 -0.0000000), wk = 0.0024631 k( 217) = ( -0.2857143 0.0963126 0.0000000), wk = 0.0024631 k( 218) = ( -0.3035714 0.1023322 0.0000000), wk = 0.0024631 k( 219) = ( -0.3214286 0.1083517 -0.0000000), wk = 0.0024631 k( 220) = ( -0.3392857 0.1143713 -0.0000000), wk = 0.0024631 k( 221) = ( -0.3571429 0.1203908 0.0000000), wk = 0.0024631 k( 222) = ( -0.3750000 0.1264103 0.0000000), wk = 0.0024631 k( 223) = ( -0.3928571 0.1324299 -0.0000000), wk = 0.0024631 k( 224) = ( -0.4107143 0.1384494 0.0000000), wk = 0.0024631 k( 225) = ( -0.4285714 0.1444690 0.0000000), wk = 0.0024631 k( 226) = ( -0.4464286 0.1504885 -0.0000000), wk = 0.0024631 k( 227) = ( -0.4642857 0.1565080 0.0000000), wk = 0.0024631 k( 228) = ( -0.4821429 0.1625276 0.0000000), wk = 0.0024631 k( 229) = ( -0.5000000 0.1685471 0.0000000), wk = 0.0024631 k( 230) = ( -0.5000000 0.1685471 0.0000000), wk = 0.0024631 k( 231) = ( -0.4938447 0.1868071 -0.0000000), wk = 0.0024631 k( 232) = ( -0.4876893 0.2050671 -0.0000000), wk = 0.0024631 k( 233) = ( -0.4815340 0.2233270 -0.0000000), wk = 0.0024631 k( 234) = ( -0.4753787 0.2415870 -0.0000000), wk = 0.0024631 k( 235) = ( -0.4692233 0.2598470 -0.0000000), wk = 0.0024631 k( 236) = ( -0.4630680 0.2781069 -0.0000000), wk = 0.0024631 k( 237) = ( -0.4569127 0.2963669 -0.0000000), wk = 0.0024631 k( 238) = ( -0.4507574 0.3146269 -0.0000000), wk = 0.0024631 k( 239) = ( -0.4446020 0.3328868 -0.0000000), wk = 0.0024631 k( 240) = ( -0.4384467 0.3511468 -0.0000000), wk = 0.0024631 k( 241) = ( -0.4322914 0.3694068 -0.0000000), wk = 0.0024631 k( 242) = ( -0.4261360 0.3876667 -0.0000000), wk = 0.0024631 k( 243) = ( -0.4199807 0.4059267 -0.0000000), wk = 0.0024631 k( 244) = ( -0.4138254 0.4241866 -0.0000000), wk = 0.0024631 k( 245) = ( -0.4076701 0.4424466 -0.0000000), wk = 0.0024631 k( 246) = ( -0.4015147 0.4607066 -0.0000000), wk = 0.0024631 k( 247) = ( -0.3953594 0.4789665 -0.0000000), wk = 0.0024631 k( 248) = ( -0.3892041 0.4972265 -0.0000000), wk = 0.0024631 k( 249) = ( -0.3830487 0.5154865 -0.0000000), wk = 0.0024631 k( 250) = ( -0.3768934 0.5337464 -0.0000000), wk = 0.0024631 k( 251) = ( -0.3707381 0.5520064 -0.0000000), wk = 0.0024631 k( 252) = ( -0.3645828 0.5702664 -0.0000000), wk = 0.0024631 k( 253) = ( -0.3584274 0.5885263 -0.0000000), wk = 0.0024631 k( 254) = ( -0.3522721 0.6067863 -0.0000000), wk = 0.0024631 k( 255) = ( -0.3461168 0.6250463 -0.0000000), wk = 0.0024631 k( 256) = ( -0.3399614 0.6433062 -0.0000000), wk = 0.0024631 k( 257) = ( -0.3338061 0.6615662 -0.0000000), wk = 0.0024631 k( 258) = ( -0.3276508 0.6798262 -0.0000000), wk = 0.0024631 k( 259) = ( -0.3214954 0.6980861 -0.0000000), wk = 0.0024631 k( 260) = ( -0.3153401 0.7163461 -0.0000000), wk = 0.0024631 k( 261) = ( -0.3091848 0.7346061 -0.0000000), wk = 0.0024631 k( 262) = ( -0.3030294 0.7528660 -0.0000000), wk = 0.0024631 k( 263) = ( -0.2968741 0.7711260 -0.0000000), wk = 0.0024631 k( 264) = ( -0.2907188 0.7893860 -0.0000000), wk = 0.0024631 k( 265) = ( -0.2845635 0.8076459 -0.0000000), wk = 0.0024631 k( 266) = ( -0.2784081 0.8259059 -0.0000000), wk = 0.0024631 k( 267) = ( -0.2784081 0.8259059 -0.0000000), wk = 0.0024631 k( 268) = ( -0.2784081 0.8259059 0.0192560), wk = 0.0024631 k( 269) = ( -0.2784081 0.8259059 0.0385121), wk = 0.0024631 k( 270) = ( -0.2784081 0.8259059 0.0577681), wk = 0.0024631 k( 271) = ( -0.2784081 0.8259059 0.0770241), wk = 0.0024631 k( 272) = ( -0.2784081 0.8259059 0.0962801), wk = 0.0024631 k( 273) = ( -0.2784081 0.8259059 0.1155362), wk = 0.0024631 k( 274) = ( -0.2784081 0.8259059 0.1347922), wk = 0.0024631 k( 275) = ( -0.2784081 0.8259059 0.1540482), wk = 0.0024631 k( 276) = ( -0.2784081 0.8259059 0.1733043), wk = 0.0024631 k( 277) = ( -0.2784081 0.8259059 0.1925603), wk = 0.0024631 k( 278) = ( -0.2784081 0.8259059 0.2118163), wk = 0.0024631 k( 279) = ( -0.2784081 0.8259059 0.2310724), wk = 0.0024631 k( 280) = ( -0.2784081 0.8259059 0.2503284), wk = 0.0024631 k( 281) = ( -0.2784081 0.8259059 0.2695844), wk = 0.0024631 k( 282) = ( -0.2784081 0.8259059 0.2888404), wk = 0.0024631 k( 283) = ( -0.2784081 0.8259059 0.3080965), wk = 0.0024631 k( 284) = ( -0.2784081 0.8259059 0.3273525), wk = 0.0024631 k( 285) = ( -0.2784081 0.8259059 0.3466085), wk = 0.0024631 k( 286) = ( -0.2784081 0.8259059 0.3658646), wk = 0.0024631 k( 287) = ( -0.2784081 0.8259059 0.3851206), wk = 0.0024631 k( 288) = ( -0.2784081 0.8259059 0.4043766), wk = 0.0024631 k( 289) = ( -0.2784081 0.8259059 0.4236326), wk = 0.0024631 k( 290) = ( -0.2784081 0.8259059 0.4428887), wk = 0.0024631 k( 291) = ( -0.2784081 0.8259059 0.4621447), wk = 0.0024631 k( 292) = ( -0.2784081 0.8259059 0.4814007), wk = 0.0024631 k( 293) = ( -0.2784081 0.8259059 0.5006568), wk = 0.0024631 k( 294) = ( -0.2784081 0.8259059 0.5199128), wk = 0.0024631 k( 295) = ( -0.2784081 0.8259059 0.5391688), wk = 0.0024631 k( 296) = ( -0.2784081 0.8259059 0.5584249), wk = 0.0024631 k( 297) = ( -0.2784081 0.8259059 0.5776809), wk = 0.0024631 k( 298) = ( -0.2784081 0.8259059 0.5969369), wk = 0.0024631 k( 299) = ( -0.2784081 0.8259059 0.6161929), wk = 0.0024631 k( 300) = ( -0.2784081 0.8259059 0.6354490), wk = 0.0024631 k( 301) = ( -0.2784081 0.8259059 0.6547050), wk = 0.0024631 k( 302) = ( -0.2784081 0.8259059 0.6739610), wk = 0.0024631 k( 303) = ( -0.2784081 0.8259059 0.6932171), wk = 0.0024631 k( 304) = ( -0.2784081 0.8259059 0.6932171), wk = 0.0024631 k( 305) = ( -0.2845635 0.8076459 0.6932171), wk = 0.0024631 k( 306) = ( -0.2907188 0.7893860 0.6932171), wk = 0.0024631 k( 307) = ( -0.2968741 0.7711260 0.6932171), wk = 0.0024631 k( 308) = ( -0.3030294 0.7528660 0.6932171), wk = 0.0024631 k( 309) = ( -0.3091848 0.7346061 0.6932171), wk = 0.0024631 k( 310) = ( -0.3153401 0.7163461 0.6932171), wk = 0.0024631 k( 311) = ( -0.3214954 0.6980861 0.6932171), wk = 0.0024631 k( 312) = ( -0.3276508 0.6798262 0.6932171), wk = 0.0024631 k( 313) = ( -0.3338061 0.6615662 0.6932171), wk = 0.0024631 k( 314) = ( -0.3399614 0.6433062 0.6932171), wk = 0.0024631 k( 315) = ( -0.3461168 0.6250463 0.6932171), wk = 0.0024631 k( 316) = ( -0.3522721 0.6067863 0.6932171), wk = 0.0024631 k( 317) = ( -0.3584274 0.5885263 0.6932171), wk = 0.0024631 k( 318) = ( -0.3645828 0.5702664 0.6932171), wk = 0.0024631 k( 319) = ( -0.3707381 0.5520064 0.6932171), wk = 0.0024631 k( 320) = ( -0.3768934 0.5337464 0.6932171), wk = 0.0024631 k( 321) = ( -0.3830487 0.5154865 0.6932171), wk = 0.0024631 k( 322) = ( -0.3892041 0.4972265 0.6932171), wk = 0.0024631 k( 323) = ( -0.3953594 0.4789665 0.6932171), wk = 0.0024631 k( 324) = ( -0.4015147 0.4607066 0.6932171), wk = 0.0024631 k( 325) = ( -0.4076701 0.4424466 0.6932171), wk = 0.0024631 k( 326) = ( -0.4138254 0.4241866 0.6932171), wk = 0.0024631 k( 327) = ( -0.4199807 0.4059267 0.6932171), wk = 0.0024631 k( 328) = ( -0.4261360 0.3876667 0.6932171), wk = 0.0024631 k( 329) = ( -0.4322914 0.3694068 0.6932171), wk = 0.0024631 k( 330) = ( -0.4384467 0.3511468 0.6932171), wk = 0.0024631 k( 331) = ( -0.4446020 0.3328868 0.6932171), wk = 0.0024631 k( 332) = ( -0.4507574 0.3146269 0.6932171), wk = 0.0024631 k( 333) = ( -0.4569127 0.2963669 0.6932171), wk = 0.0024631 k( 334) = ( -0.4630680 0.2781069 0.6932171), wk = 0.0024631 k( 335) = ( -0.4692233 0.2598470 0.6932171), wk = 0.0024631 k( 336) = ( -0.4753787 0.2415870 0.6932171), wk = 0.0024631 k( 337) = ( -0.4815340 0.2233270 0.6932171), wk = 0.0024631 k( 338) = ( -0.4876893 0.2050671 0.6932171), wk = 0.0024631 k( 339) = ( -0.4938447 0.1868071 0.6932171), wk = 0.0024631 k( 340) = ( -0.5000000 0.1685471 0.6932171), wk = 0.0024631 k( 341) = ( -0.5000000 0.1685471 0.6932171), wk = 0.0024631 k( 342) = ( -0.5000000 0.1685471 0.6739610), wk = 0.0024631 k( 343) = ( -0.5000000 0.1685471 0.6547050), wk = 0.0024631 k( 344) = ( -0.5000000 0.1685471 0.6354490), wk = 0.0024631 k( 345) = ( -0.5000000 0.1685471 0.6161929), wk = 0.0024631 k( 346) = ( -0.5000000 0.1685471 0.5969369), wk = 0.0024631 k( 347) = ( -0.5000000 0.1685471 0.5776809), wk = 0.0024631 k( 348) = ( -0.5000000 0.1685471 0.5584249), wk = 0.0024631 k( 349) = ( -0.5000000 0.1685471 0.5391688), wk = 0.0024631 k( 350) = ( -0.5000000 0.1685471 0.5199128), wk = 0.0024631 k( 351) = ( -0.5000000 0.1685471 0.5006568), wk = 0.0024631 k( 352) = ( -0.5000000 0.1685471 0.4814007), wk = 0.0024631 k( 353) = ( -0.5000000 0.1685471 0.4621447), wk = 0.0024631 k( 354) = ( -0.5000000 0.1685471 0.4428887), wk = 0.0024631 k( 355) = ( -0.5000000 0.1685471 0.4236326), wk = 0.0024631 k( 356) = ( -0.5000000 0.1685471 0.4043766), wk = 0.0024631 k( 357) = ( -0.5000000 0.1685471 0.3851206), wk = 0.0024631 k( 358) = ( -0.5000000 0.1685471 0.3658646), wk = 0.0024631 k( 359) = ( -0.5000000 0.1685471 0.3466085), wk = 0.0024631 k( 360) = ( -0.5000000 0.1685471 0.3273525), wk = 0.0024631 k( 361) = ( -0.5000000 0.1685471 0.3080965), wk = 0.0024631 k( 362) = ( -0.5000000 0.1685471 0.2888404), wk = 0.0024631 k( 363) = ( -0.5000000 0.1685471 0.2695844), wk = 0.0024631 k( 364) = ( -0.5000000 0.1685471 0.2503284), wk = 0.0024631 k( 365) = ( -0.5000000 0.1685471 0.2310724), wk = 0.0024631 k( 366) = ( -0.5000000 0.1685471 0.2118163), wk = 0.0024631 k( 367) = ( -0.5000000 0.1685471 0.1925603), wk = 0.0024631 k( 368) = ( -0.5000000 0.1685471 0.1733043), wk = 0.0024631 k( 369) = ( -0.5000000 0.1685471 0.1540482), wk = 0.0024631 k( 370) = ( -0.5000000 0.1685471 0.1347922), wk = 0.0024631 k( 371) = ( -0.5000000 0.1685471 0.1155362), wk = 0.0024631 k( 372) = ( -0.5000000 0.1685471 0.0962801), wk = 0.0024631 k( 373) = ( -0.5000000 0.1685471 0.0770241), wk = 0.0024631 k( 374) = ( -0.5000000 0.1685471 0.0577681), wk = 0.0024631 k( 375) = ( -0.5000000 0.1685471 0.0385121), wk = 0.0024631 k( 376) = ( -0.5000000 0.1685471 0.0192560), wk = 0.0024631 k( 377) = ( -0.5000000 0.1685471 0.0000000), wk = 0.0024631 k( 378) = ( 0.0000000 0.0000000 0.6932171), wk = 0.0024631 k( 379) = ( -0.0178571 0.0060195 0.6932171), wk = 0.0024631 k( 380) = ( -0.0357143 0.0120391 0.6932171), wk = 0.0024631 k( 381) = ( -0.0535714 0.0180586 0.6932171), wk = 0.0024631 k( 382) = ( -0.0714286 0.0240782 0.6932171), wk = 0.0024631 k( 383) = ( -0.0892857 0.0300977 0.6932171), wk = 0.0024631 k( 384) = ( -0.1071429 0.0361172 0.6932171), wk = 0.0024631 k( 385) = ( -0.1250000 0.0421368 0.6932171), wk = 0.0024631 k( 386) = ( -0.1428571 0.0481563 0.6932171), wk = 0.0024631 k( 387) = ( -0.1607143 0.0541759 0.6932171), wk = 0.0024631 k( 388) = ( -0.1785714 0.0601954 0.6932171), wk = 0.0024631 k( 389) = ( -0.1964286 0.0662149 0.6932171), wk = 0.0024631 k( 390) = ( -0.2142857 0.0722345 0.6932171), wk = 0.0024631 k( 391) = ( -0.2321429 0.0782540 0.6932171), wk = 0.0024631 k( 392) = ( -0.2500000 0.0842736 0.6932171), wk = 0.0024631 k( 393) = ( -0.2678571 0.0902931 0.6932171), wk = 0.0024631 k( 394) = ( -0.2857143 0.0963126 0.6932171), wk = 0.0024631 k( 395) = ( -0.3035714 0.1023322 0.6932171), wk = 0.0024631 k( 396) = ( -0.3214286 0.1083517 0.6932171), wk = 0.0024631 k( 397) = ( -0.3392857 0.1143713 0.6932171), wk = 0.0024631 k( 398) = ( -0.3571429 0.1203908 0.6932171), wk = 0.0024631 k( 399) = ( -0.3750000 0.1264103 0.6932171), wk = 0.0024631 k( 400) = ( -0.3928571 0.1324299 0.6932171), wk = 0.0024631 k( 401) = ( -0.4107143 0.1384494 0.6932171), wk = 0.0024631 k( 402) = ( -0.4285714 0.1444690 0.6932171), wk = 0.0024631 k( 403) = ( -0.4464286 0.1504885 0.6932171), wk = 0.0024631 k( 404) = ( -0.4642857 0.1565080 0.6932171), wk = 0.0024631 k( 405) = ( -0.4821429 0.1625276 0.6932171), wk = 0.0024631 k( 406) = ( -0.5000000 0.1685471 0.6932171), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0060523 0.0060523 0.0000000), wk = 0.0024631 k( 3) = ( 0.0121047 0.0121047 0.0000000), wk = 0.0024631 k( 4) = ( 0.0181571 0.0181571 0.0000000), wk = 0.0024631 k( 5) = ( 0.0242094 0.0242094 0.0000000), wk = 0.0024631 k( 6) = ( 0.0302618 0.0302617 0.0000000), wk = 0.0024631 k( 7) = ( 0.0363141 0.0363141 0.0000000), wk = 0.0024631 k( 8) = ( 0.0423665 0.0423665 0.0000000), wk = 0.0024631 k( 9) = ( 0.0484188 0.0484188 0.0000000), wk = 0.0024631 k( 10) = ( 0.0544712 0.0544712 0.0000000), wk = 0.0024631 k( 11) = ( 0.0605235 0.0605235 -0.0000000), wk = 0.0024631 k( 12) = ( 0.0665759 0.0665759 -0.0000000), wk = 0.0024631 k( 13) = ( 0.0726282 0.0726282 0.0000000), wk = 0.0024631 k( 14) = ( 0.0786806 0.0786806 0.0000000), wk = 0.0024631 k( 15) = ( 0.0847329 0.0847329 -0.0000000), wk = 0.0024631 k( 16) = ( 0.0907853 0.0907853 -0.0000000), wk = 0.0024631 k( 17) = ( 0.0968376 0.0968376 0.0000000), wk = 0.0024631 k( 18) = ( 0.1028900 0.1028900 0.0000000), wk = 0.0024631 k( 19) = ( 0.1089423 0.1089423 -0.0000000), wk = 0.0024631 k( 20) = ( 0.1149947 0.1149947 0.0000000), wk = 0.0024631 k( 21) = ( 0.1210470 0.1210470 -0.0000000), wk = 0.0024631 k( 22) = ( 0.1270994 0.1270994 0.0000000), wk = 0.0024631 k( 23) = ( 0.1331517 0.1331517 -0.0000000), wk = 0.0024631 k( 24) = ( 0.1392041 0.1392041 -0.0000000), wk = 0.0024631 k( 25) = ( 0.1452564 0.1452564 0.0000000), wk = 0.0024631 k( 26) = ( 0.1513088 0.1513088 0.0000000), wk = 0.0024631 k( 27) = ( 0.1573611 0.1573611 0.0000000), wk = 0.0024631 k( 28) = ( 0.1634135 0.1634135 -0.0000000), wk = 0.0024631 k( 29) = ( 0.1694658 0.1694658 -0.0000000), wk = 0.0024631 k( 30) = ( 0.1755182 0.1755182 -0.0000000), wk = 0.0024631 k( 31) = ( 0.1815705 0.1815705 -0.0000000), wk = 0.0024631 k( 32) = ( 0.1876229 0.1876229 0.0000000), wk = 0.0024631 k( 33) = ( 0.1936752 0.1936752 0.0000000), wk = 0.0024631 k( 34) = ( 0.1997276 0.1997276 -0.0000000), wk = 0.0024631 k( 35) = ( 0.2057799 0.2057799 0.0000000), wk = 0.0024631 k( 36) = ( 0.2118323 0.2118323 0.0000000), wk = 0.0024631 k( 37) = ( 0.2178846 0.2178846 -0.0000000), wk = 0.0024631 k( 38) = ( 0.2239370 0.2239370 0.0000000), wk = 0.0024631 k( 39) = ( 0.2299893 0.2299893 0.0000000), wk = 0.0024631 k( 40) = ( 0.2360417 0.2360417 -0.0000000), wk = 0.0024631 k( 41) = ( 0.2420940 0.2420940 0.0000000), wk = 0.0024631 k( 42) = ( 0.2481464 0.2481464 -0.0000000), wk = 0.0024631 k( 43) = ( 0.2541987 0.2541987 0.0000000), wk = 0.0024631 k( 44) = ( 0.2602511 0.2602511 -0.0000000), wk = 0.0024631 k( 45) = ( 0.2663034 0.2663034 0.0000000), wk = 0.0024631 k( 46) = ( 0.2723558 0.2723558 0.0000000), wk = 0.0024631 k( 47) = ( 0.2784081 0.2784081 0.0000000), wk = 0.0024631 k( 48) = ( 0.2784081 0.2784081 0.0000000), wk = 0.0024631 k( 49) = ( 0.2598476 0.2931809 -0.0000000), wk = 0.0024631 k( 50) = ( 0.2412871 0.3079537 0.0000000), wk = 0.0024631 k( 51) = ( 0.2227265 0.3227265 0.0000000), wk = 0.0024631 k( 52) = ( 0.2041660 0.3374993 -0.0000000), wk = 0.0024631 k( 53) = ( 0.1856054 0.3522721 -0.0000000), wk = 0.0024631 k( 54) = ( 0.1670449 0.3670449 0.0000000), wk = 0.0024631 k( 55) = ( 0.1484843 0.3818177 0.0000000), wk = 0.0024631 k( 56) = ( 0.1299238 0.3965905 0.0000000), wk = 0.0024631 k( 57) = ( 0.1113632 0.4113633 0.0000000), wk = 0.0024631 k( 58) = ( 0.0928027 0.4261360 -0.0000000), wk = 0.0024631 k( 59) = ( 0.0742422 0.4409088 0.0000000), wk = 0.0024631 k( 60) = ( 0.0556816 0.4556816 0.0000000), wk = 0.0024631 k( 61) = ( 0.0371211 0.4704544 0.0000000), wk = 0.0024631 k( 62) = ( 0.0185605 0.4852272 -0.0000000), wk = 0.0024631 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 65) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0024631 k( 66) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0024631 k( 67) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0024631 k( 68) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0024631 k( 69) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0024631 k( 70) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024631 k( 71) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0024631 k( 72) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0024631 k( 73) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024631 k( 74) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0024631 k( 75) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0024631 k( 76) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024631 k( 77) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0024631 k( 78) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0024631 k( 79) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0024631 k( 80) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0024631 k( 81) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0024631 k( 82) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024631 k( 83) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0024631 k( 84) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0024631 k( 85) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0024631 k( 86) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0024631 k( 87) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0024631 k( 88) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024631 k( 89) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0024631 k( 90) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0024631 k( 91) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024631 k( 92) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0024631 k( 93) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0024631 k( 94) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024631 k( 95) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0024631 k( 96) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0024631 k( 97) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0024631 k( 98) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0024631 k( 99) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0024631 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024631 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024631 k( 102) = ( 0.0185605 0.4852272 0.5000000), wk = 0.0024631 k( 103) = ( 0.0371211 0.4704544 0.5000000), wk = 0.0024631 k( 104) = ( 0.0556816 0.4556816 0.5000000), wk = 0.0024631 k( 105) = ( 0.0742422 0.4409088 0.5000000), wk = 0.0024631 k( 106) = ( 0.0928027 0.4261360 0.5000000), wk = 0.0024631 k( 107) = ( 0.1113632 0.4113633 0.5000000), wk = 0.0024631 k( 108) = ( 0.1299238 0.3965905 0.5000000), wk = 0.0024631 k( 109) = ( 0.1484843 0.3818177 0.5000000), wk = 0.0024631 k( 110) = ( 0.1670449 0.3670449 0.5000000), wk = 0.0024631 k( 111) = ( 0.1856054 0.3522721 0.5000000), wk = 0.0024631 k( 112) = ( 0.2041660 0.3374993 0.5000000), wk = 0.0024631 k( 113) = ( 0.2227265 0.3227265 0.5000000), wk = 0.0024631 k( 114) = ( 0.2412871 0.3079537 0.5000000), wk = 0.0024631 k( 115) = ( 0.2598476 0.2931809 0.5000000), wk = 0.0024631 k( 116) = ( 0.2784081 0.2784081 0.5000000), wk = 0.0024631 k( 117) = ( 0.2784081 0.2784081 0.5000000), wk = 0.0024631 k( 118) = ( 0.2723558 0.2723558 0.5000000), wk = 0.0024631 k( 119) = ( 0.2663034 0.2663034 0.5000000), wk = 0.0024631 k( 120) = ( 0.2602511 0.2602511 0.5000000), wk = 0.0024631 k( 121) = ( 0.2541987 0.2541987 0.5000000), wk = 0.0024631 k( 122) = ( 0.2481464 0.2481464 0.5000000), wk = 0.0024631 k( 123) = ( 0.2420940 0.2420940 0.5000000), wk = 0.0024631 k( 124) = ( 0.2360417 0.2360417 0.5000000), wk = 0.0024631 k( 125) = ( 0.2299893 0.2299893 0.5000000), wk = 0.0024631 k( 126) = ( 0.2239370 0.2239370 0.5000000), wk = 0.0024631 k( 127) = ( 0.2178846 0.2178846 0.5000000), wk = 0.0024631 k( 128) = ( 0.2118323 0.2118323 0.5000000), wk = 0.0024631 k( 129) = ( 0.2057799 0.2057799 0.5000000), wk = 0.0024631 k( 130) = ( 0.1997276 0.1997276 0.5000000), wk = 0.0024631 k( 131) = ( 0.1936752 0.1936752 0.5000000), wk = 0.0024631 k( 132) = ( 0.1876229 0.1876229 0.5000000), wk = 0.0024631 k( 133) = ( 0.1815705 0.1815705 0.5000000), wk = 0.0024631 k( 134) = ( 0.1755182 0.1755182 0.5000000), wk = 0.0024631 k( 135) = ( 0.1694658 0.1694658 0.5000000), wk = 0.0024631 k( 136) = ( 0.1634135 0.1634135 0.5000000), wk = 0.0024631 k( 137) = ( 0.1573611 0.1573611 0.5000000), wk = 0.0024631 k( 138) = ( 0.1513088 0.1513088 0.5000000), wk = 0.0024631 k( 139) = ( 0.1452564 0.1452564 0.5000000), wk = 0.0024631 k( 140) = ( 0.1392041 0.1392041 0.5000000), wk = 0.0024631 k( 141) = ( 0.1331517 0.1331517 0.5000000), wk = 0.0024631 k( 142) = ( 0.1270994 0.1270994 0.5000000), wk = 0.0024631 k( 143) = ( 0.1210470 0.1210470 0.5000000), wk = 0.0024631 k( 144) = ( 0.1149947 0.1149947 0.5000000), wk = 0.0024631 k( 145) = ( 0.1089423 0.1089423 0.5000000), wk = 0.0024631 k( 146) = ( 0.1028900 0.1028900 0.5000000), wk = 0.0024631 k( 147) = ( 0.0968376 0.0968376 0.5000000), wk = 0.0024631 k( 148) = ( 0.0907853 0.0907853 0.5000000), wk = 0.0024631 k( 149) = ( 0.0847329 0.0847329 0.5000000), wk = 0.0024631 k( 150) = ( 0.0786806 0.0786806 0.5000000), wk = 0.0024631 k( 151) = ( 0.0726282 0.0726282 0.5000000), wk = 0.0024631 k( 152) = ( 0.0665759 0.0665759 0.5000000), wk = 0.0024631 k( 153) = ( 0.0605235 0.0605235 0.5000000), wk = 0.0024631 k( 154) = ( 0.0544712 0.0544712 0.5000000), wk = 0.0024631 k( 155) = ( 0.0484188 0.0484188 0.5000000), wk = 0.0024631 k( 156) = ( 0.0423665 0.0423665 0.5000000), wk = 0.0024631 k( 157) = ( 0.0363141 0.0363141 0.5000000), wk = 0.0024631 k( 158) = ( 0.0302618 0.0302617 0.5000000), wk = 0.0024631 k( 159) = ( 0.0242094 0.0242094 0.5000000), wk = 0.0024631 k( 160) = ( 0.0181571 0.0181571 0.5000000), wk = 0.0024631 k( 161) = ( 0.0121047 0.0121047 0.5000000), wk = 0.0024631 k( 162) = ( 0.0060523 0.0060523 0.5000000), wk = 0.0024631 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 165) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0024631 k( 166) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024631 k( 167) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0024631 k( 168) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024631 k( 169) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0024631 k( 170) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024631 k( 171) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0024631 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024631 k( 175) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0024631 k( 176) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024631 k( 177) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0024631 k( 178) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024631 k( 179) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0024631 k( 180) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0024631 k( 184) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024631 k( 185) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0024631 k( 186) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024631 k( 187) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0024631 k( 188) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024631 k( 189) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0024631 k( 190) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024631 k( 191) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024631 k( 192) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024631 k( 193) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0024631 k( 194) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024631 k( 195) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0024631 k( 196) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024631 k( 197) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0024631 k( 198) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024631 k( 199) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0024631 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 202) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0024631 k( 203) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0024631 k( 204) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0024631 k( 205) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0024631 k( 206) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0024631 k( 207) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0024631 k( 208) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0024631 k( 209) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0024631 k( 210) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0024631 k( 211) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0024631 k( 212) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0024631 k( 213) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0024631 k( 214) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0024631 k( 215) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024631 k( 216) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0024631 k( 217) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0024631 k( 218) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0024631 k( 219) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0024631 k( 220) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0024631 k( 221) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024631 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0024631 k( 223) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0024631 k( 224) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0024631 k( 225) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024631 k( 226) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0024631 k( 227) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0024631 k( 228) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0024631 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 230) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 231) = ( -0.4938447 0.5061553 -0.0000000), wk = 0.0024631 k( 232) = ( -0.4876893 0.5123107 0.0000000), wk = 0.0024631 k( 233) = ( -0.4815340 0.5184660 0.0000000), wk = 0.0024631 k( 234) = ( -0.4753787 0.5246213 -0.0000000), wk = 0.0024631 k( 235) = ( -0.4692233 0.5307767 0.0000000), wk = 0.0024631 k( 236) = ( -0.4630680 0.5369320 0.0000000), wk = 0.0024631 k( 237) = ( -0.4569127 0.5430873 0.0000000), wk = 0.0024631 k( 238) = ( -0.4507574 0.5492426 0.0000000), wk = 0.0024631 k( 239) = ( -0.4446020 0.5553980 0.0000000), wk = 0.0024631 k( 240) = ( -0.4384467 0.5615533 0.0000000), wk = 0.0024631 k( 241) = ( -0.4322914 0.5677086 0.0000000), wk = 0.0024631 k( 242) = ( -0.4261360 0.5738640 0.0000000), wk = 0.0024631 k( 243) = ( -0.4199807 0.5800193 0.0000000), wk = 0.0024631 k( 244) = ( -0.4138254 0.5861746 0.0000000), wk = 0.0024631 k( 245) = ( -0.4076701 0.5923299 0.0000000), wk = 0.0024631 k( 246) = ( -0.4015147 0.5984853 0.0000000), wk = 0.0024631 k( 247) = ( -0.3953594 0.6046406 0.0000000), wk = 0.0024631 k( 248) = ( -0.3892041 0.6107959 0.0000000), wk = 0.0024631 k( 249) = ( -0.3830487 0.6169513 0.0000000), wk = 0.0024631 k( 250) = ( -0.3768934 0.6231066 0.0000000), wk = 0.0024631 k( 251) = ( -0.3707381 0.6292619 -0.0000000), wk = 0.0024631 k( 252) = ( -0.3645828 0.6354173 0.0000000), wk = 0.0024631 k( 253) = ( -0.3584274 0.6415726 0.0000000), wk = 0.0024631 k( 254) = ( -0.3522721 0.6477279 0.0000000), wk = 0.0024631 k( 255) = ( -0.3461168 0.6538832 -0.0000000), wk = 0.0024631 k( 256) = ( -0.3399614 0.6600386 0.0000000), wk = 0.0024631 k( 257) = ( -0.3338061 0.6661939 0.0000000), wk = 0.0024631 k( 258) = ( -0.3276508 0.6723492 0.0000000), wk = 0.0024631 k( 259) = ( -0.3214954 0.6785046 -0.0000000), wk = 0.0024631 k( 260) = ( -0.3153401 0.6846599 0.0000000), wk = 0.0024631 k( 261) = ( -0.3091848 0.6908152 0.0000000), wk = 0.0024631 k( 262) = ( -0.3030294 0.6969706 0.0000000), wk = 0.0024631 k( 263) = ( -0.2968741 0.7031259 -0.0000000), wk = 0.0024631 k( 264) = ( -0.2907188 0.7092812 0.0000000), wk = 0.0024631 k( 265) = ( -0.2845635 0.7154365 0.0000000), wk = 0.0024631 k( 266) = ( -0.2784081 0.7215919 -0.0000000), wk = 0.0024631 k( 267) = ( -0.2784081 0.7215919 -0.0000000), wk = 0.0024631 k( 268) = ( -0.2784081 0.7215919 0.0138889), wk = 0.0024631 k( 269) = ( -0.2784081 0.7215919 0.0277778), wk = 0.0024631 k( 270) = ( -0.2784081 0.7215919 0.0416667), wk = 0.0024631 k( 271) = ( -0.2784081 0.7215919 0.0555556), wk = 0.0024631 k( 272) = ( -0.2784081 0.7215919 0.0694444), wk = 0.0024631 k( 273) = ( -0.2784081 0.7215919 0.0833333), wk = 0.0024631 k( 274) = ( -0.2784081 0.7215919 0.0972222), wk = 0.0024631 k( 275) = ( -0.2784081 0.7215919 0.1111111), wk = 0.0024631 k( 276) = ( -0.2784081 0.7215919 0.1250000), wk = 0.0024631 k( 277) = ( -0.2784081 0.7215919 0.1388889), wk = 0.0024631 k( 278) = ( -0.2784081 0.7215919 0.1527778), wk = 0.0024631 k( 279) = ( -0.2784081 0.7215919 0.1666667), wk = 0.0024631 k( 280) = ( -0.2784081 0.7215919 0.1805556), wk = 0.0024631 k( 281) = ( -0.2784081 0.7215919 0.1944444), wk = 0.0024631 k( 282) = ( -0.2784081 0.7215919 0.2083333), wk = 0.0024631 k( 283) = ( -0.2784081 0.7215919 0.2222222), wk = 0.0024631 k( 284) = ( -0.2784081 0.7215919 0.2361111), wk = 0.0024631 k( 285) = ( -0.2784081 0.7215919 0.2500000), wk = 0.0024631 k( 286) = ( -0.2784081 0.7215919 0.2638889), wk = 0.0024631 k( 287) = ( -0.2784081 0.7215919 0.2777778), wk = 0.0024631 k( 288) = ( -0.2784081 0.7215919 0.2916667), wk = 0.0024631 k( 289) = ( -0.2784081 0.7215919 0.3055556), wk = 0.0024631 k( 290) = ( -0.2784081 0.7215919 0.3194444), wk = 0.0024631 k( 291) = ( -0.2784081 0.7215919 0.3333333), wk = 0.0024631 k( 292) = ( -0.2784081 0.7215919 0.3472222), wk = 0.0024631 k( 293) = ( -0.2784081 0.7215919 0.3611111), wk = 0.0024631 k( 294) = ( -0.2784081 0.7215919 0.3750000), wk = 0.0024631 k( 295) = ( -0.2784081 0.7215919 0.3888889), wk = 0.0024631 k( 296) = ( -0.2784081 0.7215919 0.4027778), wk = 0.0024631 k( 297) = ( -0.2784081 0.7215919 0.4166667), wk = 0.0024631 k( 298) = ( -0.2784081 0.7215919 0.4305556), wk = 0.0024631 k( 299) = ( -0.2784081 0.7215919 0.4444444), wk = 0.0024631 k( 300) = ( -0.2784081 0.7215919 0.4583333), wk = 0.0024631 k( 301) = ( -0.2784081 0.7215919 0.4722222), wk = 0.0024631 k( 302) = ( -0.2784081 0.7215919 0.4861111), wk = 0.0024631 k( 303) = ( -0.2784081 0.7215919 0.5000000), wk = 0.0024631 k( 304) = ( -0.2784081 0.7215919 0.5000000), wk = 0.0024631 k( 305) = ( -0.2845635 0.7154365 0.5000000), wk = 0.0024631 k( 306) = ( -0.2907188 0.7092812 0.5000000), wk = 0.0024631 k( 307) = ( -0.2968741 0.7031259 0.5000000), wk = 0.0024631 k( 308) = ( -0.3030294 0.6969706 0.5000000), wk = 0.0024631 k( 309) = ( -0.3091848 0.6908152 0.5000000), wk = 0.0024631 k( 310) = ( -0.3153401 0.6846599 0.5000000), wk = 0.0024631 k( 311) = ( -0.3214954 0.6785046 0.5000000), wk = 0.0024631 k( 312) = ( -0.3276508 0.6723492 0.5000000), wk = 0.0024631 k( 313) = ( -0.3338061 0.6661939 0.5000000), wk = 0.0024631 k( 314) = ( -0.3399614 0.6600386 0.5000000), wk = 0.0024631 k( 315) = ( -0.3461168 0.6538832 0.5000000), wk = 0.0024631 k( 316) = ( -0.3522721 0.6477279 0.5000000), wk = 0.0024631 k( 317) = ( -0.3584274 0.6415726 0.5000000), wk = 0.0024631 k( 318) = ( -0.3645828 0.6354173 0.5000000), wk = 0.0024631 k( 319) = ( -0.3707381 0.6292619 0.5000000), wk = 0.0024631 k( 320) = ( -0.3768934 0.6231066 0.5000000), wk = 0.0024631 k( 321) = ( -0.3830487 0.6169513 0.5000000), wk = 0.0024631 k( 322) = ( -0.3892041 0.6107959 0.5000000), wk = 0.0024631 k( 323) = ( -0.3953594 0.6046406 0.5000000), wk = 0.0024631 k( 324) = ( -0.4015147 0.5984853 0.5000000), wk = 0.0024631 k( 325) = ( -0.4076701 0.5923299 0.5000000), wk = 0.0024631 k( 326) = ( -0.4138254 0.5861746 0.5000000), wk = 0.0024631 k( 327) = ( -0.4199807 0.5800193 0.5000000), wk = 0.0024631 k( 328) = ( -0.4261360 0.5738640 0.5000000), wk = 0.0024631 k( 329) = ( -0.4322914 0.5677086 0.5000000), wk = 0.0024631 k( 330) = ( -0.4384467 0.5615533 0.5000000), wk = 0.0024631 k( 331) = ( -0.4446020 0.5553980 0.5000000), wk = 0.0024631 k( 332) = ( -0.4507574 0.5492426 0.5000000), wk = 0.0024631 k( 333) = ( -0.4569127 0.5430873 0.5000000), wk = 0.0024631 k( 334) = ( -0.4630680 0.5369320 0.5000000), wk = 0.0024631 k( 335) = ( -0.4692233 0.5307767 0.5000000), wk = 0.0024631 k( 336) = ( -0.4753787 0.5246213 0.5000000), wk = 0.0024631 k( 337) = ( -0.4815340 0.5184660 0.5000000), wk = 0.0024631 k( 338) = ( -0.4876893 0.5123107 0.5000000), wk = 0.0024631 k( 339) = ( -0.4938447 0.5061553 0.5000000), wk = 0.0024631 k( 340) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 341) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 342) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0024631 k( 343) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0024631 k( 344) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0024631 k( 345) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0024631 k( 346) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0024631 k( 347) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0024631 k( 348) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0024631 k( 349) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0024631 k( 350) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024631 k( 351) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0024631 k( 352) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0024631 k( 353) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024631 k( 354) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0024631 k( 355) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0024631 k( 356) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0024631 k( 357) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0024631 k( 358) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0024631 k( 359) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024631 k( 360) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0024631 k( 361) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0024631 k( 362) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0024631 k( 363) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0024631 k( 364) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0024631 k( 365) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024631 k( 366) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0024631 k( 367) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0024631 k( 368) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024631 k( 369) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0024631 k( 370) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0024631 k( 371) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0024631 k( 372) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0024631 k( 373) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0024631 k( 374) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0024631 k( 375) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0024631 k( 376) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0024631 k( 377) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 378) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 379) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0024631 k( 380) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0024631 k( 381) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0024631 k( 382) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024631 k( 383) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0024631 k( 384) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0024631 k( 385) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024631 k( 386) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024631 k( 387) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0024631 k( 388) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0024631 k( 389) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0024631 k( 390) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024631 k( 391) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0024631 k( 392) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024631 k( 393) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0024631 k( 394) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024631 k( 395) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0024631 k( 396) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0024631 k( 397) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0024631 k( 398) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024631 k( 399) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024631 k( 400) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0024631 k( 401) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0024631 k( 402) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024631 k( 403) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0024631 k( 404) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0024631 k( 405) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0024631 k( 406) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 Dense grid: 46367 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 21781 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 170, 36) NL pseudopotentials 0.18 Mb ( 85, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1287) G-vector shells 0.01 Mb ( 656) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 170, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YAl.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.2 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.3 secs Computing kpt #: 23 total cpu time spent up to now is 7.5 secs Computing kpt #: 24 total cpu time spent up to now is 7.8 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.4 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.8 secs Computing kpt #: 30 total cpu time spent up to now is 9.0 secs Computing kpt #: 31 total cpu time spent up to now is 9.2 secs Computing kpt #: 32 total cpu time spent up to now is 9.4 secs Computing kpt #: 33 total cpu time spent up to now is 9.6 secs Computing kpt #: 34 total cpu time spent up to now is 9.9 secs Computing kpt #: 35 total cpu time spent up to now is 10.1 secs Computing kpt #: 36 total cpu time spent up to now is 10.3 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.4 secs Computing kpt #: 42 total cpu time spent up to now is 11.6 secs Computing kpt #: 43 total cpu time spent up to now is 11.8 secs Computing kpt #: 44 total cpu time spent up to now is 12.0 secs Computing kpt #: 45 total cpu time spent up to now is 12.3 secs Computing kpt #: 46 total cpu time spent up to now is 12.5 secs Computing kpt #: 47 total cpu time spent up to now is 12.7 secs Computing kpt #: 48 total cpu time spent up to now is 12.9 secs Computing kpt #: 49 total cpu time spent up to now is 13.2 secs Computing kpt #: 50 total cpu time spent up to now is 13.4 secs Computing kpt #: 51 total cpu time spent up to now is 13.6 secs Computing kpt #: 52 total cpu time spent up to now is 13.8 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.3 secs Computing kpt #: 55 total cpu time spent up to now is 14.5 secs Computing kpt #: 56 total cpu time spent up to now is 14.7 secs Computing kpt #: 57 total cpu time spent up to now is 14.9 secs Computing kpt #: 58 total cpu time spent up to now is 15.1 secs Computing kpt #: 59 total cpu time spent up to now is 15.4 secs Computing kpt #: 60 total cpu time spent up to now is 15.6 secs Computing kpt #: 61 total cpu time spent up to now is 15.8 secs Computing kpt #: 62 total cpu time spent up to now is 16.0 secs Computing kpt #: 63 total cpu time spent up to now is 16.2 secs Computing kpt #: 64 total cpu time spent up to now is 16.3 secs Computing kpt #: 65 total cpu time spent up to now is 16.5 secs Computing kpt #: 66 total cpu time spent up to now is 16.7 secs Computing kpt #: 67 total cpu time spent up to now is 17.0 secs Computing kpt #: 68 total cpu time spent up to now is 17.2 secs Computing kpt #: 69 total cpu time spent up to now is 17.4 secs Computing kpt #: 70 total cpu time spent up to now is 17.6 secs Computing kpt #: 71 total cpu time spent up to now is 17.8 secs Computing kpt #: 72 total cpu time spent up to now is 18.1 secs Computing kpt #: 73 total cpu time spent up to now is 18.4 secs Computing kpt #: 74 total cpu time spent up to now is 18.6 secs Computing kpt #: 75 total cpu time spent up to now is 18.9 secs Computing kpt #: 76 total cpu time spent up to now is 19.1 secs Computing kpt #: 77 total cpu time spent up to now is 19.3 secs Computing kpt #: 78 total cpu time spent up to now is 19.5 secs Computing kpt #: 79 total cpu time spent up to now is 19.7 secs Computing kpt #: 80 total cpu time spent up to now is 20.0 secs Computing kpt #: 81 total cpu time spent up to now is 20.2 secs Computing kpt #: 82 total cpu time spent up to now is 20.4 secs Computing kpt #: 83 total cpu time spent up to now is 20.6 secs Computing kpt #: 84 total cpu time spent up to now is 20.8 secs Computing kpt #: 85 total cpu time spent up to now is 21.0 secs Computing kpt #: 86 total cpu time spent up to now is 21.2 secs Computing kpt #: 87 total cpu time spent up to now is 21.4 secs Computing kpt #: 88 total cpu time spent up to now is 21.6 secs Computing kpt #: 89 total cpu time spent up to now is 21.8 secs Computing kpt #: 90 total cpu time spent up to now is 22.1 secs Computing kpt #: 91 total cpu time spent up to now is 22.3 secs Computing kpt #: 92 total cpu time spent up to now is 22.5 secs Computing kpt #: 93 total cpu time spent up to now is 22.7 secs Computing kpt #: 94 total cpu time spent up to now is 22.9 secs Computing kpt #: 95 total cpu time spent up to now is 23.1 secs Computing kpt #: 96 total cpu time spent up to now is 23.3 secs Computing kpt #: 97 total cpu time spent up to now is 23.5 secs Computing kpt #: 98 total cpu time spent up to now is 23.7 secs Computing kpt #: 99 total cpu time spent up to now is 23.9 secs Computing kpt #: 100 total cpu time spent up to now is 24.1 secs Computing kpt #: 101 total cpu time spent up to now is 24.3 secs Computing kpt #: 102 total cpu time spent up to now is 24.5 secs Computing kpt #: 103 total cpu time spent up to now is 24.7 secs Computing kpt #: 104 total cpu time spent up to now is 24.9 secs Computing kpt #: 105 total cpu time spent up to now is 25.1 secs Computing kpt #: 106 total cpu time spent up to now is 25.3 secs Computing kpt #: 107 total cpu time spent up to now is 25.4 secs Computing kpt #: 108 total cpu time spent up to now is 25.7 secs Computing kpt #: 109 total cpu time spent up to now is 25.9 secs Computing kpt #: 110 total cpu time spent up to now is 26.1 secs Computing kpt #: 111 total cpu time spent up to now is 26.3 secs Computing kpt #: 112 total cpu time spent up to now is 26.5 secs Computing kpt #: 113 total cpu time spent up to now is 26.7 secs Computing kpt #: 114 total cpu time spent up to now is 26.9 secs Computing kpt #: 115 total cpu time spent up to now is 27.1 secs Computing kpt #: 116 total cpu time spent up to now is 27.3 secs Computing kpt #: 117 total cpu time spent up to now is 27.5 secs Computing kpt #: 118 total cpu time spent up to now is 27.7 secs Computing kpt #: 119 total cpu time spent up to now is 27.9 secs Computing kpt #: 120 total cpu time spent up to now is 28.1 secs Computing kpt #: 121 total cpu time spent up to now is 28.3 secs Computing kpt #: 122 total cpu time spent up to now is 28.5 secs Computing kpt #: 123 total cpu time spent up to now is 28.7 secs Computing kpt #: 124 total cpu time spent up to now is 28.9 secs Computing kpt #: 125 total cpu time spent up to now is 29.2 secs Computing kpt #: 126 total cpu time spent up to now is 29.4 secs Computing kpt #: 127 total cpu time spent up to now is 29.6 secs Computing kpt #: 128 total cpu time spent up to now is 29.8 secs Computing kpt #: 129 total cpu time spent up to now is 30.0 secs Computing kpt #: 130 total cpu time spent up to now is 30.2 secs Computing kpt #: 131 total cpu time spent up to now is 30.5 secs Computing kpt #: 132 total cpu time spent up to now is 30.7 secs Computing kpt #: 133 total cpu time spent up to now is 30.9 secs Computing kpt #: 134 total cpu time spent up to now is 31.1 secs Computing kpt #: 135 total cpu time spent up to now is 31.3 secs Computing kpt #: 136 total cpu time spent up to now is 31.6 secs Computing kpt #: 137 total cpu time spent up to now is 31.8 secs Computing kpt #: 138 total cpu time spent up to now is 32.0 secs Computing kpt #: 139 total cpu time spent up to now is 32.2 secs Computing kpt #: 140 total cpu time spent up to now is 32.4 secs Computing kpt #: 141 total cpu time spent up to now is 32.6 secs Computing kpt #: 142 total cpu time spent up to now is 32.8 secs Computing kpt #: 143 total cpu time spent up to now is 33.0 secs Computing kpt #: 144 total cpu time spent up to now is 33.3 secs Computing kpt #: 145 total cpu time spent up to now is 33.5 secs Computing kpt #: 146 total cpu time spent up to now is 33.7 secs Computing kpt #: 147 total cpu time spent up to now is 33.9 secs Computing kpt #: 148 total cpu time spent up to now is 34.1 secs Computing kpt #: 149 total cpu time spent up to now is 34.3 secs Computing kpt #: 150 total cpu time spent up to now is 34.5 secs Computing kpt #: 151 total cpu time spent up to now is 34.7 secs Computing kpt #: 152 total cpu time spent up to now is 34.9 secs Computing kpt #: 153 total cpu time spent up to now is 35.1 secs Computing kpt #: 154 total cpu time spent up to now is 35.3 secs Computing kpt #: 155 total cpu time spent up to now is 35.4 secs Computing kpt #: 156 total cpu time spent up to now is 35.7 secs Computing kpt #: 157 total cpu time spent up to now is 35.9 secs Computing kpt #: 158 total cpu time spent up to now is 36.1 secs Computing kpt #: 159 total cpu time spent up to now is 36.3 secs Computing kpt #: 160 total cpu time spent up to now is 36.5 secs Computing kpt #: 161 total cpu time spent up to now is 36.7 secs Computing kpt #: 162 total cpu time spent up to now is 36.8 secs Computing kpt #: 163 total cpu time spent up to now is 37.0 secs Computing kpt #: 164 total cpu time spent up to now is 37.2 secs Computing kpt #: 165 total cpu time spent up to now is 37.4 secs Computing kpt #: 166 total cpu time spent up to now is 37.6 secs Computing kpt #: 167 total cpu time spent up to now is 37.8 secs Computing kpt #: 168 total cpu time spent up to now is 38.0 secs Computing kpt #: 169 total cpu time spent up to now is 38.2 secs Computing kpt #: 170 total cpu time spent up to now is 38.4 secs Computing kpt #: 171 total cpu time spent up to now is 38.6 secs Computing kpt #: 172 total cpu time spent up to now is 38.7 secs Computing kpt #: 173 total cpu time spent up to now is 38.9 secs Computing kpt #: 174 total cpu time spent up to now is 39.1 secs Computing kpt #: 175 total cpu time spent up to now is 39.3 secs Computing kpt #: 176 total cpu time spent up to now is 39.6 secs Computing kpt #: 177 total cpu time spent up to now is 39.8 secs Computing kpt #: 178 total cpu time spent up to now is 40.0 secs Computing kpt #: 179 total cpu time spent up to now is 40.2 secs Computing kpt #: 180 total cpu time spent up to now is 40.4 secs Computing kpt #: 181 total cpu time spent up to now is 40.6 secs Computing kpt #: 182 total cpu time spent up to now is 40.8 secs Computing kpt #: 183 total cpu time spent up to now is 41.0 secs Computing kpt #: 184 total cpu time spent up to now is 41.2 secs Computing kpt #: 185 total cpu time spent up to now is 41.5 secs Computing kpt #: 186 total cpu time spent up to now is 41.7 secs Computing kpt #: 187 total cpu time spent up to now is 41.9 secs Computing kpt #: 188 total cpu time spent up to now is 42.1 secs Computing kpt #: 189 total cpu time spent up to now is 42.3 secs Computing kpt #: 190 total cpu time spent up to now is 42.6 secs Computing kpt #: 191 total cpu time spent up to now is 42.8 secs Computing kpt #: 192 total cpu time spent up to now is 43.1 secs Computing kpt #: 193 total cpu time spent up to now is 43.3 secs Computing kpt #: 194 total cpu time spent up to now is 43.5 secs Computing kpt #: 195 total cpu time spent up to now is 43.7 secs Computing kpt #: 196 total cpu time spent up to now is 43.9 secs Computing kpt #: 197 total cpu time spent up to now is 44.1 secs Computing kpt #: 198 total cpu time spent up to now is 44.4 secs Computing kpt #: 199 total cpu time spent up to now is 44.6 secs Computing kpt #: 200 total cpu time spent up to now is 44.8 secs Computing kpt #: 201 total cpu time spent up to now is 45.0 secs Computing kpt #: 202 total cpu time spent up to now is 45.2 secs Computing kpt #: 203 total cpu time spent up to now is 45.4 secs Computing kpt #: 204 total cpu time spent up to now is 45.6 secs Computing kpt #: 205 total cpu time spent up to now is 45.8 secs Computing kpt #: 206 total cpu time spent up to now is 46.0 secs Computing kpt #: 207 total cpu time spent up to now is 46.3 secs Computing kpt #: 208 total cpu time spent up to now is 46.5 secs Computing kpt #: 209 total cpu time spent up to now is 46.7 secs Computing kpt #: 210 total cpu time spent up to now is 46.9 secs Computing kpt #: 211 total cpu time spent up to now is 47.1 secs Computing kpt #: 212 total cpu time spent up to now is 47.4 secs Computing kpt #: 213 total cpu time spent up to now is 47.6 secs Computing kpt #: 214 total cpu time spent up to now is 47.8 secs Computing kpt #: 215 total cpu time spent up to now is 48.1 secs Computing kpt #: 216 total cpu time spent up to now is 48.3 secs Computing kpt #: 217 total cpu time spent up to now is 48.7 secs Computing kpt #: 218 total cpu time spent up to now is 49.0 secs Computing kpt #: 219 total cpu time spent up to now is 49.3 secs Computing kpt #: 220 total cpu time spent up to now is 49.5 secs Computing kpt #: 221 total cpu time spent up to now is 49.8 secs Computing kpt #: 222 total cpu time spent up to now is 50.0 secs Computing kpt #: 223 total cpu time spent up to now is 50.2 secs Computing kpt #: 224 total cpu time spent up to now is 50.4 secs Computing kpt #: 225 total cpu time spent up to now is 50.7 secs Computing kpt #: 226 total cpu time spent up to now is 51.0 secs Computing kpt #: 227 total cpu time spent up to now is 51.2 secs Computing kpt #: 228 total cpu time spent up to now is 51.5 secs Computing kpt #: 229 total cpu time spent up to now is 51.8 secs Computing kpt #: 230 total cpu time spent up to now is 52.2 secs Computing kpt #: 231 total cpu time spent up to now is 52.5 secs Computing kpt #: 232 total cpu time spent up to now is 52.8 secs Computing kpt #: 233 total cpu time spent up to now is 53.2 secs Computing kpt #: 234 total cpu time spent up to now is 53.4 secs Computing kpt #: 235 total cpu time spent up to now is 53.8 secs Computing kpt #: 236 total cpu time spent up to now is 54.2 secs Computing kpt #: 237 total cpu time spent up to now is 54.6 secs Computing kpt #: 238 total cpu time spent up to now is 55.0 secs Computing kpt #: 239 total cpu time spent up to now is 55.2 secs Computing kpt #: 240 total cpu time spent up to now is 55.5 secs Computing kpt #: 241 total cpu time spent up to now is 55.7 secs Computing kpt #: 242 total cpu time spent up to now is 56.0 secs Computing kpt #: 243 total cpu time spent up to now is 56.2 secs Computing kpt #: 244 total cpu time spent up to now is 56.4 secs Computing kpt #: 245 total cpu time spent up to now is 56.6 secs Computing kpt #: 246 total cpu time spent up to now is 56.8 secs Computing kpt #: 247 total cpu time spent up to now is 57.1 secs Computing kpt #: 248 total cpu time spent up to now is 57.3 secs Computing kpt #: 249 total cpu time spent up to now is 57.5 secs Computing kpt #: 250 total cpu time spent up to now is 57.7 secs Computing kpt #: 251 total cpu time spent up to now is 57.9 secs Computing kpt #: 252 total cpu time spent up to now is 58.1 secs Computing kpt #: 253 total cpu time spent up to now is 58.3 secs Computing kpt #: 254 total cpu time spent up to now is 58.6 secs Computing kpt #: 255 total cpu time spent up to now is 58.8 secs Computing kpt #: 256 total cpu time spent up to now is 59.0 secs Computing kpt #: 257 total cpu time spent up to now is 59.2 secs Computing kpt #: 258 total cpu time spent up to now is 59.4 secs Computing kpt #: 259 total cpu time spent up to now is 59.6 secs Computing kpt #: 260 total cpu time spent up to now is 59.9 secs Computing kpt #: 261 total cpu time spent up to now is 60.1 secs Computing kpt #: 262 total cpu time spent up to now is 60.3 secs Computing kpt #: 263 total cpu time spent up to now is 60.5 secs Computing kpt #: 264 total cpu time spent up to now is 60.8 secs Computing kpt #: 265 total cpu time spent up to now is 61.0 secs Computing kpt #: 266 total cpu time spent up to now is 61.2 secs Computing kpt #: 267 total cpu time spent up to now is 61.4 secs Computing kpt #: 268 total cpu time spent up to now is 61.7 secs Computing kpt #: 269 total cpu time spent up to now is 61.9 secs Computing kpt #: 270 total cpu time spent up to now is 62.1 secs Computing kpt #: 271 total cpu time spent up to now is 62.4 secs Computing kpt #: 272 total cpu time spent up to now is 62.6 secs Computing kpt #: 273 total cpu time spent up to now is 62.9 secs Computing kpt #: 274 total cpu time spent up to now is 63.2 secs Computing kpt #: 275 total cpu time spent up to now is 63.4 secs Computing kpt #: 276 total cpu time spent up to now is 63.7 secs Computing kpt #: 277 total cpu time spent up to now is 63.9 secs Computing kpt #: 278 total cpu time spent up to now is 64.1 secs Computing kpt #: 279 total cpu time spent up to now is 64.3 secs Computing kpt #: 280 total cpu time spent up to now is 64.6 secs Computing kpt #: 281 total cpu time spent up to now is 64.8 secs Computing kpt #: 282 total cpu time spent up to now is 65.0 secs Computing kpt #: 283 total cpu time spent up to now is 65.2 secs Computing kpt #: 284 total cpu time spent up to now is 65.4 secs Computing kpt #: 285 total cpu time spent up to now is 65.6 secs Computing kpt #: 286 total cpu time spent up to now is 65.9 secs Computing kpt #: 287 total cpu time spent up to now is 66.1 secs Computing kpt #: 288 total cpu time spent up to now is 66.3 secs Computing kpt #: 289 total cpu time spent up to now is 66.5 secs Computing kpt #: 290 total cpu time spent up to now is 66.8 secs Computing kpt #: 291 total cpu time spent up to now is 67.0 secs Computing kpt #: 292 total cpu time spent up to now is 67.2 secs Computing kpt #: 293 total cpu time spent up to now is 67.5 secs Computing kpt #: 294 total cpu time spent up to now is 67.7 secs Computing kpt #: 295 total cpu time spent up to now is 67.9 secs Computing kpt #: 296 total cpu time spent up to now is 68.1 secs Computing kpt #: 297 total cpu time spent up to now is 68.4 secs Computing kpt #: 298 total cpu time spent up to now is 68.6 secs Computing kpt #: 299 total cpu time spent up to now is 68.8 secs Computing kpt #: 300 total cpu time spent up to now is 69.0 secs Computing kpt #: 301 total cpu time spent up to now is 69.2 secs Computing kpt #: 302 total cpu time spent up to now is 69.4 secs Computing kpt #: 303 total cpu time spent up to now is 69.6 secs Computing kpt #: 304 total cpu time spent up to now is 69.8 secs Computing kpt #: 305 total cpu time spent up to now is 70.0 secs Computing kpt #: 306 total cpu time spent up to now is 70.2 secs Computing kpt #: 307 total cpu time spent up to now is 70.4 secs Computing kpt #: 308 total cpu time spent up to now is 70.6 secs Computing kpt #: 309 total cpu time spent up to now is 70.8 secs Computing kpt #: 310 total cpu time spent up to now is 71.0 secs Computing kpt #: 311 total cpu time spent up to now is 71.2 secs Computing kpt #: 312 total cpu time spent up to now is 71.4 secs Computing kpt #: 313 total cpu time spent up to now is 71.6 secs Computing kpt #: 314 total cpu time spent up to now is 71.8 secs Computing kpt #: 315 total cpu time spent up to now is 72.1 secs Computing kpt #: 316 total cpu time spent up to now is 72.3 secs Computing kpt #: 317 total cpu time spent up to now is 72.5 secs Computing kpt #: 318 total cpu time spent up to now is 72.7 secs Computing kpt #: 319 total cpu time spent up to now is 72.9 secs Computing kpt #: 320 total cpu time spent up to now is 73.2 secs Computing kpt #: 321 total cpu time spent up to now is 73.4 secs Computing kpt #: 322 total cpu time spent up to now is 73.6 secs Computing kpt #: 323 total cpu time spent up to now is 73.8 secs Computing kpt #: 324 total cpu time spent up to now is 74.0 secs Computing kpt #: 325 total cpu time spent up to now is 74.2 secs Computing kpt #: 326 total cpu time spent up to now is 74.4 secs Computing kpt #: 327 total cpu time spent up to now is 74.7 secs Computing kpt #: 328 total cpu time spent up to now is 74.9 secs Computing kpt #: 329 total cpu time spent up to now is 75.1 secs Computing kpt #: 330 total cpu time spent up to now is 75.3 secs Computing kpt #: 331 total cpu time spent up to now is 75.5 secs Computing kpt #: 332 total cpu time spent up to now is 75.7 secs Computing kpt #: 333 total cpu time spent up to now is 75.9 secs Computing kpt #: 334 total cpu time spent up to now is 76.1 secs Computing kpt #: 335 total cpu time spent up to now is 76.3 secs Computing kpt #: 336 total cpu time spent up to now is 76.5 secs Computing kpt #: 337 total cpu time spent up to now is 76.6 secs Computing kpt #: 338 total cpu time spent up to now is 76.8 secs Computing kpt #: 339 total cpu time spent up to now is 77.0 secs Computing kpt #: 340 total cpu time spent up to now is 77.2 secs Computing kpt #: 341 total cpu time spent up to now is 77.4 secs Computing kpt #: 342 total cpu time spent up to now is 77.6 secs Computing kpt #: 343 total cpu time spent up to now is 77.8 secs Computing kpt #: 344 total cpu time spent up to now is 78.0 secs Computing kpt #: 345 total cpu time spent up to now is 78.1 secs Computing kpt #: 346 total cpu time spent up to now is 78.3 secs Computing kpt #: 347 total cpu time spent up to now is 78.5 secs Computing kpt #: 348 total cpu time spent up to now is 78.7 secs Computing kpt #: 349 total cpu time spent up to now is 78.9 secs Computing kpt #: 350 total cpu time spent up to now is 79.1 secs Computing kpt #: 351 total cpu time spent up to now is 79.3 secs Computing kpt #: 352 total cpu time spent up to now is 79.5 secs Computing kpt #: 353 total cpu time spent up to now is 79.7 secs Computing kpt #: 354 total cpu time spent up to now is 79.9 secs Computing kpt #: 355 total cpu time spent up to now is 80.1 secs Computing kpt #: 356 total cpu time spent up to now is 80.3 secs Computing kpt #: 357 total cpu time spent up to now is 80.6 secs Computing kpt #: 358 total cpu time spent up to now is 80.8 secs Computing kpt #: 359 total cpu time spent up to now is 81.1 secs Computing kpt #: 360 total cpu time spent up to now is 81.4 secs Computing kpt #: 361 total cpu time spent up to now is 81.7 secs Computing kpt #: 362 total cpu time spent up to now is 81.9 secs Computing kpt #: 363 total cpu time spent up to now is 82.2 secs Computing kpt #: 364 total cpu time spent up to now is 82.5 secs Computing kpt #: 365 total cpu time spent up to now is 82.7 secs Computing kpt #: 366 total cpu time spent up to now is 83.0 secs Computing kpt #: 367 total cpu time spent up to now is 83.3 secs Computing kpt #: 368 total cpu time spent up to now is 83.5 secs Computing kpt #: 369 total cpu time spent up to now is 83.8 secs Computing kpt #: 370 total cpu time spent up to now is 84.0 secs Computing kpt #: 371 total cpu time spent up to now is 84.3 secs Computing kpt #: 372 total cpu time spent up to now is 84.5 secs Computing kpt #: 373 total cpu time spent up to now is 84.8 secs Computing kpt #: 374 total cpu time spent up to now is 85.0 secs Computing kpt #: 375 total cpu time spent up to now is 85.2 secs Computing kpt #: 376 total cpu time spent up to now is 85.5 secs Computing kpt #: 377 total cpu time spent up to now is 85.7 secs Computing kpt #: 378 total cpu time spent up to now is 85.9 secs Computing kpt #: 379 total cpu time spent up to now is 86.1 secs Computing kpt #: 380 total cpu time spent up to now is 86.2 secs Computing kpt #: 381 total cpu time spent up to now is 86.4 secs Computing kpt #: 382 total cpu time spent up to now is 86.6 secs Computing kpt #: 383 total cpu time spent up to now is 86.8 secs Computing kpt #: 384 total cpu time spent up to now is 87.0 secs Computing kpt #: 385 total cpu time spent up to now is 87.2 secs Computing kpt #: 386 total cpu time spent up to now is 87.4 secs Computing kpt #: 387 total cpu time spent up to now is 87.5 secs Computing kpt #: 388 total cpu time spent up to now is 87.7 secs Computing kpt #: 389 total cpu time spent up to now is 87.9 secs Computing kpt #: 390 total cpu time spent up to now is 88.1 secs Computing kpt #: 391 total cpu time spent up to now is 88.3 secs Computing kpt #: 392 total cpu time spent up to now is 88.5 secs Computing kpt #: 393 total cpu time spent up to now is 88.7 secs Computing kpt #: 394 total cpu time spent up to now is 88.8 secs Computing kpt #: 395 total cpu time spent up to now is 89.0 secs Computing kpt #: 396 total cpu time spent up to now is 89.2 secs Computing kpt #: 397 total cpu time spent up to now is 89.4 secs Computing kpt #: 398 total cpu time spent up to now is 89.6 secs Computing kpt #: 399 total cpu time spent up to now is 89.8 secs Computing kpt #: 400 total cpu time spent up to now is 90.0 secs Computing kpt #: 401 total cpu time spent up to now is 90.1 secs Computing kpt #: 402 total cpu time spent up to now is 90.3 secs Computing kpt #: 403 total cpu time spent up to now is 90.5 secs Computing kpt #: 404 total cpu time spent up to now is 90.7 secs Computing kpt #: 405 total cpu time spent up to now is 90.9 secs Computing kpt #: 406 total cpu time spent up to now is 91.1 secs ethr = 3.57E-08, avg # of iterations = 15.4 total cpu time spent up to now is 91.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2727 PWs) bands (ev): -33.9372 -33.9372 -33.4850 -33.4850 -15.2912 -15.2912 -14.5177 -14.5177 -14.0419 -14.0419 -13.2050 -13.2050 -13.1674 -13.1674 -12.7843 -12.7843 1.5695 1.5695 4.3718 4.3718 6.3585 6.3585 8.4423 8.4423 8.6849 8.6849 8.9021 8.9021 9.5729 9.5729 9.8235 9.8235 10.2046 10.2046 10.6230 10.6230 k = 0.0061 0.0180-0.0000 ( 2715 PWs) bands (ev): -33.9371 -33.9371 -33.4849 -33.4849 -15.2912 -15.2912 -14.5178 -14.5178 -14.0419 -14.0419 -13.2051 -13.2051 -13.1676 -13.1676 -12.7843 -12.7843 1.5713 1.5713 4.3727 4.3727 6.3593 6.3593 8.4414 8.4414 8.6809 8.6809 8.9014 8.9014 9.5734 9.5734 9.7999 9.7999 10.2305 10.2305 10.6215 10.6215 k = 0.0121 0.0359-0.0000 ( 2715 PWs) bands (ev): -33.9371 -33.9371 -33.4849 -33.4849 -15.2912 -15.2912 -14.5181 -14.5181 -14.0418 -14.0418 -13.2055 -13.2055 -13.1681 -13.1681 -12.7843 -12.7843 1.5765 1.5765 4.3753 4.3753 6.3617 6.3617 8.4390 8.4390 8.6689 8.6689 8.8995 8.8995 9.5749 9.5749 9.7427 9.7427 10.2949 10.2949 10.6170 10.6170 k = 0.0182 0.0539-0.0000 ( 2711 PWs) bands (ev): -33.9370 -33.9370 -33.4848 -33.4848 -15.2911 -15.2911 -14.5187 -14.5187 -14.0417 -14.0417 -13.2061 -13.2061 -13.1689 -13.1689 -12.7843 -12.7843 1.5852 1.5852 4.3798 4.3798 6.3657 6.3657 8.4346 8.4346 8.6486 8.6486 8.8961 8.8961 9.5777 9.5777 9.6711 9.6711 10.3790 10.3790 10.6098 10.6098 k = 0.0242 0.0718-0.0000 ( 2711 PWs) bands (ev): -33.9369 -33.9369 -33.4848 -33.4848 -15.2911 -15.2911 -14.5194 -14.5194 -14.0415 -14.0415 -13.2070 -13.2070 -13.1700 -13.1700 -12.7843 -12.7843 1.5974 1.5974 4.3860 4.3860 6.3712 6.3712 8.4281 8.4281 8.6198 8.6198 8.8913 8.8913 9.5768 9.5768 9.6011 9.6011 10.4724 10.4724 10.6003 10.6003 k = 0.0303 0.0898-0.0000 ( 2717 PWs) bands (ev): -33.9368 -33.9368 -33.4847 -33.4847 -15.2910 -15.2910 -14.5203 -14.5203 -14.0413 -14.0413 -13.2082 -13.2082 -13.1715 -13.1715 -12.7842 -12.7842 1.6130 1.6130 4.3940 4.3940 6.3782 6.3782 8.4190 8.4190 8.5824 8.5824 8.8848 8.8848 9.5148 9.5148 9.5962 9.5962 10.5664 10.5664 10.5929 10.5929 k = 0.0363 0.1077-0.0000 ( 2711 PWs) bands (ev): -33.9367 -33.9367 -33.4846 -33.4846 -15.2909 -15.2909 -14.5215 -14.5215 -14.0411 -14.0411 -13.2095 -13.2095 -13.1732 -13.1732 -12.7842 -12.7842 1.6321 1.6321 4.4037 4.4037 6.3866 6.3866 8.4067 8.4067 8.5362 8.5362 8.8765 8.8765 9.4423 9.4423 9.6089 9.6089 10.5716 10.5716 10.6754 10.6754 k = 0.0424 0.1257-0.0000 ( 2711 PWs) bands (ev): -33.9365 -33.9365 -33.4844 -33.4844 -15.2908 -15.2908 -14.5228 -14.5228 -14.0408 -14.0408 -13.2111 -13.2111 -13.1752 -13.1752 -12.7841 -12.7841 1.6545 1.6545 4.4151 4.4151 6.3963 6.3963 8.3906 8.3906 8.4816 8.4816 8.8662 8.8662 9.3741 9.3741 9.6270 9.6270 10.5565 10.5565 10.7783 10.7783 k = 0.0484 0.1436-0.0000 ( 2711 PWs) bands (ev): -33.9363 -33.9363 -33.4843 -33.4843 -15.2907 -15.2907 -14.5243 -14.5243 -14.0405 -14.0405 -13.2129 -13.2129 -13.1775 -13.1775 -12.7841 -12.7841 1.6804 1.6804 4.4281 4.4281 6.4071 6.4071 8.3700 8.3700 8.4191 8.4191 8.8536 8.8536 9.3120 9.3120 9.6504 9.6504 10.5400 10.5400 10.8823 10.8823 k = 0.0545 0.1616-0.0000 ( 2719 PWs) bands (ev): -33.9362 -33.9362 -33.4841 -33.4841 -15.2906 -15.2906 -14.5260 -14.5260 -14.0401 -14.0401 -13.2149 -13.2149 -13.1801 -13.1801 -12.7840 -12.7840 1.7096 1.7096 4.4427 4.4427 6.4190 6.4190 8.3429 8.3429 8.3506 8.3506 8.8384 8.8384 9.2571 9.2571 9.6791 9.6791 10.5230 10.5230 10.9731 10.9732 k = 0.0605 0.1795-0.0000 ( 2719 PWs) bands (ev): -33.9359 -33.9359 -33.4840 -33.4840 -15.2904 -15.2904 -14.5279 -14.5279 -14.0397 -14.0397 -13.2171 -13.2171 -13.1829 -13.1829 -12.7839 -12.7839 1.7421 1.7421 4.4589 4.4589 6.4318 6.4318 8.2719 8.2719 8.3138 8.3138 8.8204 8.8204 9.2102 9.2102 9.7128 9.7128 10.5062 10.5062 10.9499 10.9499 k = 0.0666 0.1975-0.0000 ( 2719 PWs) bands (ev): -33.9357 -33.9357 -33.4837 -33.4837 -15.2903 -15.2903 -14.5300 -14.5300 -14.0392 -14.0392 -13.2195 -13.2195 -13.1860 -13.1860 -12.7838 -12.7838 1.7779 1.7779 4.4766 4.4766 6.4453 6.4453 8.1897 8.1897 8.2770 8.2770 8.7993 8.7993 9.1718 9.1718 9.7512 9.7512 10.4903 10.4903 10.9214 10.9214 k = 0.0726 0.2155-0.0000 ( 2719 PWs) bands (ev): -33.9354 -33.9354 -33.4835 -33.4835 -15.2901 -15.2901 -14.5322 -14.5322 -14.0387 -14.0387 -13.2220 -13.2220 -13.1892 -13.1892 -12.7837 -12.7837 1.8169 1.8169 4.4957 4.4957 6.4594 6.4594 8.1026 8.1026 8.2349 8.2349 8.7748 8.7748 9.1417 9.1417 9.7936 9.7936 10.4758 10.4758 10.8907 10.8907 k = 0.0787 0.2334-0.0000 ( 2721 PWs) bands (ev): -33.9351 -33.9351 -33.4833 -33.4833 -15.2899 -15.2899 -14.5345 -14.5345 -14.0382 -14.0382 -13.2247 -13.2247 -13.1927 -13.1927 -12.7836 -12.7836 1.8591 1.8591 4.5162 4.5162 6.4738 6.4738 8.0115 8.0115 8.1880 8.1880 8.7466 8.7466 9.1197 9.1197 9.8393 9.8393 10.4635 10.4635 10.8578 10.8578 k = 0.0847 0.2514-0.0000 ( 2725 PWs) bands (ev): -33.9348 -33.9348 -33.4831 -33.4831 -15.2898 -15.2898 -14.5370 -14.5370 -14.0377 -14.0377 -13.2275 -13.2275 -13.1963 -13.1963 -12.7834 -12.7834 1.9045 1.9045 4.5378 4.5378 6.4883 6.4883 7.9172 7.9172 8.1369 8.1369 8.7146 8.7146 9.1050 9.1050 9.8872 9.8872 10.4540 10.4540 10.8231 10.8231 k = 0.0908 0.2693-0.0000 ( 2721 PWs) bands (ev): -33.9345 -33.9345 -33.4829 -33.4829 -15.2896 -15.2896 -14.5396 -14.5396 -14.0372 -14.0372 -13.2304 -13.2304 -13.2001 -13.2001 -12.7833 -12.7833 1.9529 1.9529 4.5606 4.5606 6.5026 6.5026 7.8206 7.8206 8.0827 8.0827 8.6787 8.6787 9.0969 9.0969 9.9359 9.9359 10.4478 10.4478 10.7867 10.7867 k = 0.0968 0.2873-0.0000 ( 2713 PWs) bands (ev): -33.9342 -33.9342 -33.4826 -33.4826 -15.2894 -15.2894 -14.5423 -14.5423 -14.0366 -14.0366 -13.2333 -13.2333 -13.2040 -13.2040 -12.7832 -12.7832 2.0044 2.0044 4.5844 4.5844 6.5165 6.5165 7.7224 7.7224 8.0262 8.0262 8.6389 8.6389 9.0944 9.0944 9.9838 9.9838 10.4453 10.4453 10.7487 10.7487 k = 0.1029 0.3052-0.0000 ( 2719 PWs) bands (ev): -33.9339 -33.9339 -33.4824 -33.4824 -15.2892 -15.2892 -14.5451 -14.5451 -14.0360 -14.0360 -13.2364 -13.2364 -13.2080 -13.2080 -12.7830 -12.7830 2.0589 2.0589 4.6090 4.6090 6.5297 6.5297 7.6232 7.6232 7.9684 7.9684 8.5953 8.5953 9.0969 9.0969 10.0286 10.0286 10.4470 10.4470 10.7094 10.7094 k = 0.1089 0.3232-0.0000 ( 2723 PWs) bands (ev): -33.9335 -33.9335 -33.4821 -33.4821 -15.2890 -15.2890 -14.5479 -14.5479 -14.0354 -14.0354 -13.2395 -13.2395 -13.2121 -13.2121 -12.7828 -12.7828 2.1163 2.1163 4.6343 4.6343 6.5418 6.5418 7.5237 7.5237 7.9099 7.9099 8.5481 8.5481 9.1035 9.1035 10.0675 10.0675 10.4531 10.4531 10.6690 10.6690 k = 0.1150 0.3411-0.0000 ( 2721 PWs) bands (ev): -33.9332 -33.9332 -33.4818 -33.4818 -15.2888 -15.2888 -14.5508 -14.5508 -14.0348 -14.0348 -13.2426 -13.2426 -13.2162 -13.2162 -12.7827 -12.7827 2.1765 2.1765 4.6599 4.6599 6.5525 6.5525 7.4245 7.4245 7.8515 7.8515 8.4977 8.4977 9.1136 9.1136 10.0976 10.0976 10.4637 10.4637 10.6276 10.6276 k = 0.1210 0.3591-0.0000 ( 2709 PWs) bands (ev): -33.9329 -33.9329 -33.4815 -33.4815 -15.2886 -15.2886 -14.5538 -14.5538 -14.0341 -14.0341 -13.2458 -13.2458 -13.2204 -13.2204 -12.7825 -12.7825 2.2395 2.2395 4.6858 4.6858 6.5613 6.5613 7.3263 7.3263 7.7937 7.7937 8.4446 8.4446 9.1266 9.1266 10.1161 10.1161 10.4788 10.4788 10.5856 10.5856 k = 0.1271 0.3770-0.0000 ( 2713 PWs) bands (ev): -33.9325 -33.9325 -33.4812 -33.4812 -15.2884 -15.2884 -14.5568 -14.5568 -14.0335 -14.0335 -13.2489 -13.2489 -13.2245 -13.2245 -12.7823 -12.7823 2.3053 2.3053 4.7115 4.7115 6.5679 6.5679 7.2296 7.2296 7.7369 7.7369 8.3894 8.3894 9.1422 9.1422 10.1210 10.1210 10.4975 10.4975 10.5439 10.5439 k = 0.1332 0.3950-0.0000 ( 2713 PWs) bands (ev): -33.9322 -33.9322 -33.4809 -33.4809 -15.2882 -15.2882 -14.5598 -14.5598 -14.0329 -14.0329 -13.2520 -13.2520 -13.2287 -13.2287 -12.7821 -12.7821 2.3737 2.3737 4.7367 4.7367 6.5718 6.5718 7.1352 7.1352 7.6816 7.6816 8.3328 8.3328 9.1599 9.1599 10.1115 10.1115 10.4945 10.4945 10.5280 10.5280 k = 0.1392 0.4130-0.0000 ( 2713 PWs) bands (ev): -33.9319 -33.9319 -33.4807 -33.4807 -15.2880 -15.2880 -14.5628 -14.5628 -14.0323 -14.0323 -13.2551 -13.2551 -13.2328 -13.2328 -12.7819 -12.7819 2.4448 2.4448 4.7609 4.7609 6.5724 6.5724 7.0435 7.0435 7.6281 7.6281 8.2756 8.2756 9.1793 9.1793 10.0885 10.0885 10.4528 10.4528 10.5547 10.5547 k = 0.1453 0.4309-0.0000 ( 2711 PWs) bands (ev): -33.9315 -33.9315 -33.4804 -33.4804 -15.2878 -15.2878 -14.5658 -14.5658 -14.0316 -14.0316 -13.2581 -13.2581 -13.2368 -13.2368 -12.7817 -12.7817 2.5183 2.5183 4.7838 4.7838 6.5691 6.5691 6.9554 6.9554 7.5766 7.5766 8.2186 8.2186 9.2002 9.2002 10.0536 10.0536 10.4090 10.4090 10.5875 10.5875 k = 0.1513 0.4489-0.0000 ( 2711 PWs) bands (ev): -33.9312 -33.9312 -33.4801 -33.4801 -15.2877 -15.2877 -14.5687 -14.5687 -14.0310 -14.0310 -13.2610 -13.2610 -13.2408 -13.2408 -12.7816 -12.7816 2.5943 2.5943 4.8047 4.8047 6.5614 6.5614 6.8717 6.8717 7.5274 7.5274 8.1627 8.1627 9.2222 9.2222 10.0089 10.0089 10.3649 10.3649 10.6245 10.6245 k = 0.1574 0.4668-0.0000 ( 2715 PWs) bands (ev): -33.9309 -33.9309 -33.4799 -33.4799 -15.2875 -15.2875 -14.5716 -14.5716 -14.0304 -14.0304 -13.2639 -13.2639 -13.2446 -13.2446 -12.7814 -12.7814 2.6726 2.6726 4.8230 4.8230 6.5486 6.5486 6.7932 6.7932 7.4806 7.4806 8.1090 8.1090 9.2453 9.2453 9.9566 9.9566 10.3207 10.3207 10.6651 10.6651 k = 0.1634 0.4848-0.0000 ( 2715 PWs) bands (ev): -33.9306 -33.9306 -33.4797 -33.4797 -15.2873 -15.2873 -14.5744 -14.5744 -14.0299 -14.0299 -13.2666 -13.2666 -13.2484 -13.2484 -12.7812 -12.7812 2.7532 2.7532 4.8379 4.8379 6.5301 6.5301 6.7209 6.7209 7.4364 7.4364 8.0583 8.0583 9.2691 9.2691 9.8982 9.8982 10.2768 10.2768 10.7089 10.7089 k = 0.1695 0.5027-0.0000 ( 2719 PWs) bands (ev): -33.9303 -33.9303 -33.4794 -33.4794 -15.2871 -15.2871 -14.5771 -14.5771 -14.0293 -14.0293 -13.2693 -13.2693 -13.2519 -13.2519 -12.7810 -12.7810 2.8360 2.8360 4.8487 4.8487 6.5054 6.5054 6.6556 6.6556 7.3950 7.3950 8.0114 8.0114 9.2934 9.2934 9.8353 9.8353 10.2331 10.2331 10.7555 10.7555 k = 0.1755 0.5207-0.0000 ( 2711 PWs) bands (ev): -33.9300 -33.9300 -33.4792 -33.4792 -15.2869 -15.2869 -14.5797 -14.5797 -14.0287 -14.0287 -13.2718 -13.2718 -13.2553 -13.2553 -12.7809 -12.7809 2.9209 2.9209 4.8545 4.8545 6.4743 6.4743 6.5980 6.5980 7.3564 7.3564 7.9692 7.9692 9.3181 9.3181 9.7689 9.7689 10.1899 10.1899 10.8043 10.8043 k = 0.1816 0.5386-0.0000 ( 2723 PWs) bands (ev): -33.9298 -33.9298 -33.4790 -33.4790 -15.2868 -15.2868 -14.5822 -14.5822 -14.0282 -14.0282 -13.2741 -13.2741 -13.2585 -13.2585 -12.7808 -12.7808 3.0077 3.0077 4.8545 4.8545 6.4372 6.4372 6.5484 6.5484 7.3208 7.3208 7.9322 7.9322 9.3430 9.3430 9.7001 9.7001 10.1471 10.1471 10.8549 10.8549 k = 0.1876 0.5566-0.0000 ( 2729 PWs) bands (ev): -33.9295 -33.9295 -33.4788 -33.4788 -15.2866 -15.2866 -14.5845 -14.5845 -14.0277 -14.0277 -13.2764 -13.2764 -13.2615 -13.2615 -12.7806 -12.7806 3.0964 3.0964 4.8480 4.8480 6.3950 6.3950 6.5066 6.5066 7.2882 7.2882 7.9008 7.9008 9.3679 9.3679 9.6295 9.6295 10.1050 10.1050 10.9067 10.9067 k = 0.1937 0.5745-0.0000 ( 2723 PWs) bands (ev): -33.9293 -33.9293 -33.4786 -33.4786 -15.2865 -15.2865 -14.5866 -14.5866 -14.0273 -14.0273 -13.2784 -13.2784 -13.2642 -13.2642 -12.7805 -12.7805 3.1867 3.1867 4.8345 4.8345 6.3479 6.3479 6.4733 6.4733 7.2587 7.2587 7.8754 7.8754 9.3927 9.3927 9.5578 9.5578 10.0635 10.0635 10.9591 10.9591 k = 0.1997 0.5925-0.0000 ( 2723 PWs) bands (ev): -33.9291 -33.9291 -33.4784 -33.4784 -15.2864 -15.2864 -14.5886 -14.5886 -14.0268 -14.0268 -13.2803 -13.2803 -13.2667 -13.2667 -12.7804 -12.7804 3.2786 3.2786 4.8137 4.8137 6.2956 6.2956 6.4493 6.4493 7.2325 7.2325 7.8559 7.8559 9.4171 9.4171 9.4856 9.4856 10.0227 10.0227 11.0114 11.0114 k = 0.2058 0.6105-0.0000 ( 2723 PWs) bands (ev): -33.9289 -33.9289 -33.4783 -33.4783 -15.2862 -15.2862 -14.5904 -14.5904 -14.0264 -14.0264 -13.2820 -13.2820 -13.2690 -13.2690 -12.7804 -12.7804 3.3718 3.3718 4.7856 4.7856 6.2379 6.2379 6.4353 6.4353 7.2095 7.2095 7.8422 7.8422 9.4129 9.4129 9.4417 9.4417 9.9826 9.9826 11.0631 11.0631 k = 0.2118 0.6284-0.0000 ( 2727 PWs) bands (ev): -33.9287 -33.9287 -33.4782 -33.4782 -15.2861 -15.2861 -14.5921 -14.5921 -14.0260 -14.0260 -13.2836 -13.2836 -13.2709 -13.2709 -12.7803 -12.7803 3.4661 3.4661 4.7505 4.7505 6.1754 6.1754 6.4313 6.4313 7.1898 7.1898 7.8340 7.8340 9.3411 9.3411 9.4650 9.4650 9.9433 9.9433 11.1133 11.1133 k = 0.2179 0.6464-0.0000 ( 2731 PWs) bands (ev): -33.9286 -33.9286 -33.4781 -33.4781 -15.2860 -15.2860 -14.5935 -14.5935 -14.0257 -14.0257 -13.2849 -13.2849 -13.2726 -13.2726 -12.7803 -12.7803 3.5612 3.5612 4.7089 4.7089 6.1089 6.1089 6.4365 6.4365 7.1734 7.1734 7.8310 7.8310 9.2698 9.2698 9.4879 9.4879 9.9047 9.9047 11.1611 11.1611 k = 0.2239 0.6643-0.0000 ( 2733 PWs) bands (ev): -33.9285 -33.9285 -33.4780 -33.4780 -15.2859 -15.2859 -14.5947 -14.5947 -14.0254 -14.0254 -13.2861 -13.2861 -13.2740 -13.2740 -12.7803 -12.7803 3.6567 3.6567 4.6616 4.6616 6.0394 6.0394 6.4501 6.4501 7.1604 7.1604 7.8329 7.8329 9.1996 9.1996 9.5100 9.5100 9.8670 9.8670 11.2058 11.2058 k = 0.2300 0.6823-0.0000 ( 2729 PWs) bands (ev): -33.9283 -33.9283 -33.4779 -33.4779 -15.2858 -15.2858 -14.5956 -14.5956 -14.0251 -14.0251 -13.2871 -13.2871 -13.2751 -13.2751 -12.7803 -12.7803 3.7522 3.7522 4.6093 4.6093 5.9682 5.9682 6.4711 6.4711 7.1508 7.1508 7.8392 7.8392 9.1309 9.1309 9.5313 9.5313 9.8301 9.8301 11.2464 11.2464 k = 0.2360 0.7002-0.0000 ( 2731 PWs) bands (ev): -33.9283 -33.9283 -33.4778 -33.4778 -15.2857 -15.2857 -14.5964 -14.5964 -14.0249 -14.0249 -13.2879 -13.2879 -13.2759 -13.2759 -12.7804 -12.7804 3.8471 3.8471 4.5530 4.5530 5.8963 5.8963 6.4983 6.4983 7.1447 7.1447 7.8496 7.8496 9.0641 9.0641 9.5515 9.5515 9.7940 9.7940 11.2818 11.2818 k = 0.2421 0.7182-0.0000 ( 2731 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2856 -15.2856 -14.5969 -14.5969 -14.0247 -14.0247 -13.2884 -13.2884 -13.2763 -13.2763 -12.7804 -12.7804 3.9405 3.9405 4.4934 4.4934 5.8251 5.8251 6.5308 6.5308 7.1420 7.1420 7.8638 7.8638 8.9994 8.9994 9.5706 9.5706 9.7588 9.7588 11.3110 11.3110 k = 0.2481 0.7361-0.0000 ( 2727 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2856 -15.2856 -14.5971 -14.5971 -14.0245 -14.0245 -13.2888 -13.2888 -13.2765 -13.2765 -12.7805 -12.7805 4.0313 4.0313 4.4313 4.4313 5.7563 5.7563 6.5675 6.5675 7.1429 7.1429 7.8815 7.8815 8.9374 8.9374 9.5886 9.5886 9.7245 9.7245 11.3330 11.3330 k = 0.2542 0.7541-0.0000 ( 2731 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5972 -14.5972 -14.0244 -14.0244 -13.2890 -13.2890 -13.2763 -13.2763 -12.7807 -12.7807 4.1179 4.1179 4.3675 4.3675 5.6917 5.6917 6.6075 6.6075 7.1472 7.1472 7.9024 7.9024 8.8785 8.8785 9.6050 9.6050 9.6913 9.6913 11.3466 11.3466 k = 0.2603 0.7720-0.0000 ( 2731 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5970 -14.5970 -14.0243 -14.0243 -13.2890 -13.2890 -13.2759 -13.2759 -12.7808 -12.7808 4.1977 4.1977 4.3032 4.3032 5.6336 5.6336 6.6498 6.6498 7.1551 7.1551 7.9263 7.9263 8.8232 8.8232 9.6191 9.6191 9.6600 9.6600 11.3509 11.3509 k = 0.2663 0.7900-0.0000 ( 2727 PWs) bands (ev): -33.9282 -33.9282 -33.4779 -33.4779 -15.2854 -15.2854 -14.5966 -14.5966 -14.0243 -14.0243 -13.2887 -13.2887 -13.2751 -13.2751 -12.7810 -12.7810 4.2300 4.2300 4.2767 4.2767 5.5851 5.5851 6.6934 6.6934 7.1665 7.1665 7.9530 7.9530 8.7719 8.7719 9.6183 9.6183 9.6431 9.6431 11.3453 11.3453 k = 0.2724 0.8080-0.0000 ( 2731 PWs) bands (ev): -33.9283 -33.9283 -33.4780 -33.4780 -15.2854 -15.2854 -14.5959 -14.5959 -14.0243 -14.0243 -13.2883 -13.2883 -13.2740 -13.2740 -12.7812 -12.7812 4.1669 4.1669 4.3333 4.3333 5.5498 5.5498 6.7374 6.7374 7.1814 7.1814 7.9824 7.9824 8.7254 8.7254 9.5912 9.5912 9.6519 9.6519 11.3294 11.3294 k = 0.2784 0.8259-0.0000 ( 2723 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5950 -14.5950 -14.0243 -14.0243 -13.2877 -13.2877 -13.2726 -13.2726 -12.7814 -12.7814 4.1005 4.1005 4.3774 4.3774 5.5313 5.5313 6.7810 6.7810 7.1999 7.1999 8.0142 8.0142 8.6842 8.6842 9.5613 9.5613 9.6629 9.6629 11.3034 11.3034 k = 0.2784 0.8259-0.0000 ( 2723 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5950 -14.5950 -14.0243 -14.0243 -13.2877 -13.2877 -13.2726 -13.2726 -12.7814 -12.7814 4.1005 4.1005 4.3774 4.3774 5.5313 5.5313 6.7810 6.7810 7.1999 7.1999 8.0142 8.0142 8.6842 8.6842 9.5613 9.5613 9.6629 9.6629 11.3034 11.3034 k = 0.2598 0.8259-0.0000 ( 2727 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5953 -14.5953 -14.0243 -14.0243 -13.2879 -13.2879 -13.2731 -13.2731 -12.7813 -12.7813 4.1189 4.1189 4.3664 4.3664 5.5389 5.5389 6.7675 6.7675 7.1937 7.1937 7.9863 7.9863 8.7161 8.7161 9.5578 9.5578 9.6740 9.6740 11.3105 11.3105 k = 0.2413 0.8259-0.0000 ( 2733 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5956 -14.5956 -14.0243 -14.0243 -13.2881 -13.2881 -13.2735 -13.2735 -12.7813 -12.7813 4.1329 4.1329 4.3551 4.3551 5.5560 5.5560 6.7536 6.7536 7.1878 7.1878 7.9301 7.9301 8.7812 8.7812 9.5373 9.5373 9.7049 9.7049 11.3118 11.3118 k = 0.2227 0.8259-0.0000 ( 2734 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5958 -14.5958 -14.0243 -14.0243 -13.2882 -13.2882 -13.2739 -13.2739 -12.7812 -12.7812 4.1431 4.1431 4.3433 4.3433 5.5823 5.5823 6.7392 6.7392 7.1822 7.1822 7.8567 7.8567 8.8686 8.8686 9.5117 9.5117 9.7436 9.7436 11.3061 11.3061 k = 0.2042 0.8259-0.0000 ( 2731 PWs) bands (ev): -33.9283 -33.9283 -33.4779 -33.4779 -15.2854 -15.2854 -14.5961 -14.5961 -14.0243 -14.0243 -13.2884 -13.2884 -13.2743 -13.2743 -12.7811 -12.7811 4.1503 4.1503 4.3309 4.3309 5.6171 5.6171 6.7240 6.7240 7.1769 7.1769 7.7745 7.7745 8.9701 8.9701 9.4855 9.4855 9.7852 9.7852 11.2923 11.2923 k = 0.1856 0.8259-0.0000 ( 2728 PWs) bands (ev): -33.9283 -33.9283 -33.4779 -33.4779 -15.2855 -15.2855 -14.5963 -14.5963 -14.0243 -14.0243 -13.2885 -13.2885 -13.2747 -13.2747 -12.7810 -12.7810 4.1554 4.1554 4.3178 4.3178 5.6597 5.6597 6.7073 6.7073 7.1720 7.1720 7.6888 7.6888 9.0808 9.0808 9.4604 9.4604 9.8280 9.8280 11.2691 11.2691 k = 0.1670 0.8259-0.0000 ( 2724 PWs) bands (ev): -33.9283 -33.9283 -33.4779 -33.4779 -15.2855 -15.2855 -14.5964 -14.5964 -14.0243 -14.0243 -13.2885 -13.2885 -13.2751 -13.2751 -12.7809 -12.7809 4.1590 4.1590 4.3041 4.3041 5.7091 5.7091 6.6889 6.6889 7.1675 7.1675 7.6031 7.6031 9.1976 9.1976 9.4368 9.4368 9.8709 9.8709 11.2356 11.2356 k = 0.1485 0.8259-0.0000 ( 2726 PWs) bands (ev): -33.9282 -33.9282 -33.4779 -33.4779 -15.2855 -15.2855 -14.5966 -14.5966 -14.0244 -14.0244 -13.2886 -13.2886 -13.2754 -13.2754 -12.7809 -12.7809 4.1618 4.1618 4.2901 4.2901 5.7644 5.7644 6.6678 6.6678 7.1634 7.1634 7.5200 7.5200 9.3184 9.3184 9.4154 9.4154 9.9129 9.9129 11.1909 11.1909 k = 0.1299 0.8259-0.0000 ( 2730 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5967 -14.5967 -14.0244 -14.0244 -13.2887 -13.2887 -13.2757 -13.2757 -12.7808 -12.7808 4.1642 4.1642 4.2761 4.2761 5.8247 5.8247 6.6433 6.6433 7.1597 7.1597 7.4414 7.4414 9.3954 9.3954 9.4425 9.4425 9.9532 9.9532 11.1350 11.1350 k = 0.1114 0.8259-0.0000 ( 2729 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5969 -14.5969 -14.0244 -14.0244 -13.2887 -13.2887 -13.2759 -13.2759 -12.7808 -12.7808 4.1666 4.1666 4.2622 4.2622 5.8889 5.8889 6.6143 6.6143 7.1565 7.1565 7.3693 7.3693 9.3787 9.3787 9.5670 9.5670 9.9910 9.9910 11.0681 11.0681 k = 0.0928 0.8259-0.0000 ( 2731 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5970 -14.5970 -14.0244 -14.0244 -13.2887 -13.2887 -13.2761 -13.2761 -12.7807 -12.7807 4.1693 4.1693 4.2489 4.2489 5.9563 5.9563 6.5798 6.5798 7.1538 7.1538 7.3057 7.3057 9.3641 9.3641 9.6915 9.6915 10.0254 10.0254 10.9915 10.9915 k = 0.0742 0.8259-0.0000 ( 2731 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5970 -14.5970 -14.0244 -14.0244 -13.2887 -13.2887 -13.2763 -13.2763 -12.7807 -12.7807 4.1726 4.1726 4.2363 4.2363 6.0259 6.0259 6.5391 6.5391 7.1515 7.1515 7.2521 7.2521 9.3521 9.3521 9.8136 9.8136 10.0553 10.0553 10.9073 10.9073 k = 0.0557 0.8259-0.0000 ( 2735 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5971 -14.5971 -14.0245 -14.0245 -13.2887 -13.2887 -13.2764 -13.2764 -12.7806 -12.7806 4.1767 4.1767 4.2247 4.2247 6.0966 6.0966 6.4917 6.4917 7.1496 7.1496 7.2097 7.2097 9.3427 9.3427 9.9301 9.9301 10.0800 10.0800 10.8194 10.8194 k = 0.0371 0.8259-0.0000 ( 2730 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2855 -15.2855 -14.5971 -14.5971 -14.0245 -14.0245 -13.2887 -13.2887 -13.2765 -13.2765 -12.7806 -12.7806 4.1817 4.1817 4.2141 4.2141 6.1671 6.1671 6.4380 6.4380 7.1480 7.1480 7.1795 7.1795 9.3359 9.3359 10.0344 10.0344 10.0990 10.0990 10.7343 10.7343 k = 0.0186 0.8259-0.0000 ( 2734 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2856 -15.2856 -14.5972 -14.5972 -14.0245 -14.0245 -13.2887 -13.2887 -13.2766 -13.2766 -12.7806 -12.7806 4.1874 4.1874 4.2049 4.2049 6.2351 6.2351 6.3802 6.3802 7.1464 7.1464 7.1621 7.1621 9.3319 9.3319 10.1027 10.1027 10.1223 10.1223 10.6657 10.6657 k = 0.0000 0.8259-0.0000 ( 2734 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2856 -15.2856 -14.5972 -14.5972 -14.0245 -14.0245 -13.2887 -13.2887 -13.2766 -13.2766 -12.7806 -12.7806 4.1917 4.1917 4.1995 4.1995 6.2814 6.2814 6.3373 6.3373 7.1453 7.1453 7.1568 7.1568 9.3305 9.3305 10.1105 10.1105 10.1505 10.1505 10.6374 10.6374 k = 0.0000 0.8259-0.0000 ( 2734 PWs) bands (ev): -33.9282 -33.9282 -33.4778 -33.4778 -15.2856 -15.2856 -14.5972 -14.5972 -14.0245 -14.0245 -13.2887 -13.2887 -13.2766 -13.2766 -12.7806 -12.7806 4.1917 4.1917 4.1995 4.1995 6.2814 6.2814 6.3373 6.3373 7.1453 7.1453 7.1568 7.1568 9.3305 9.3305 10.1105 10.1105 10.1505 10.1505 10.6374 10.6374 k = 0.0000 0.8259 0.0193 ( 2736 PWs) bands (ev): -33.9280 -33.9280 -33.4780 -33.4780 -15.2855 -15.2855 -14.5979 -14.5979 -14.0240 -14.0240 -13.2882 -13.2882 -13.2771 -13.2771 -12.7805 -12.7805 4.1918 4.1918 4.1999 4.1999 6.2803 6.2803 6.3368 6.3368 7.1479 7.1479 7.1581 7.1581 9.3321 9.3321 10.1060 10.1060 10.1511 10.1511 10.6440 10.6440 k = 0.0000 0.8259 0.0385 ( 2728 PWs) bands (ev): -33.9274 -33.9274 -33.4786 -33.4786 -15.2852 -15.2852 -14.6001 -14.6001 -14.0227 -14.0227 -13.2866 -13.2866 -13.2783 -13.2783 -12.7801 -12.7801 4.1922 4.1922 4.2011 4.2011 6.2772 6.2772 6.3352 6.3352 7.1537 7.1537 7.1640 7.1640 9.3366 9.3366 10.0930 10.0930 10.1533 10.1533 10.6632 10.6632 k = 0.0000 0.8259 0.0578 ( 2722 PWs) bands (ev): -33.9263 -33.9263 -33.4797 -33.4797 -15.2847 -15.2847 -14.6038 -14.6038 -14.0204 -14.0204 -13.2849 -13.2849 -13.2794 -13.2794 -12.7796 -12.7796 4.1930 4.1930 4.2031 4.2031 6.2723 6.2723 6.3326 6.3326 7.1587 7.1587 7.1781 7.1781 9.3438 9.3438 10.0732 10.0732 10.1571 10.1571 10.6929 10.6929 k = 0.0000 0.8259 0.0770 ( 2730 PWs) bands (ev): -33.9249 -33.9249 -33.4813 -33.4813 -15.2841 -15.2841 -14.6089 -14.6089 -14.0173 -14.0173 -13.2861 -13.2861 -13.2773 -13.2773 -12.7789 -12.7789 4.1940 4.1940 4.2057 4.2057 6.2661 6.2661 6.3291 6.3291 7.1636 7.1636 7.1995 7.1995 9.3531 9.3531 10.0495 10.0495 10.1620 10.1620 10.7310 10.7310 k = 0.0000 0.8259 0.0963 ( 2730 PWs) bands (ev): -33.9230 -33.9230 -33.4833 -33.4833 -15.2833 -15.2833 -14.6153 -14.6153 -14.0134 -14.0134 -13.2900 -13.2900 -13.2724 -13.2724 -12.7780 -12.7780 4.1954 4.1954 4.2089 4.2089 6.2592 6.2592 6.3248 6.3248 7.1695 7.1695 7.2265 7.2265 9.3634 9.3634 10.0245 10.0245 10.1674 10.1674 10.7754 10.7754 k = 0.0000 0.8259 0.1155 ( 2730 PWs) bands (ev): -33.9207 -33.9207 -33.4856 -33.4856 -15.2822 -15.2822 -14.6229 -14.6229 -14.0087 -14.0087 -13.2951 -13.2951 -13.2661 -13.2661 -12.7769 -12.7769 4.1971 4.1971 4.2124 4.2124 6.2521 6.2521 6.3199 6.3199 7.1767 7.1767 7.2587 7.2587 9.3737 9.3737 10.0008 10.0008 10.1719 10.1719 10.8245 10.8245 k = 0.0000 0.8259 0.1348 ( 2730 PWs) bands (ev): -33.9180 -33.9180 -33.4885 -33.4885 -15.2810 -15.2810 -14.6318 -14.6318 -14.0032 -14.0032 -13.3011 -13.3011 -13.2585 -13.2585 -12.7758 -12.7758 4.1991 4.1991 4.2164 4.2164 6.2455 6.2455 6.3145 6.3145 7.1852 7.1852 7.2953 7.2953 9.3823 9.3823 9.9810 9.9810 10.1741 10.1741 10.8766 10.8766 k = 0.0000 0.8259 0.1540 ( 2720 PWs) bands (ev): -33.9149 -33.9149 -33.4917 -33.4917 -15.2795 -15.2795 -14.6418 -14.6418 -13.9971 -13.9971 -13.3080 -13.3080 -13.2500 -13.2500 -12.7746 -12.7746 4.2013 4.2013 4.2205 4.2205 6.2397 6.2397 6.3088 6.3088 7.1952 7.1952 7.3359 7.3359 9.3873 9.3873 9.9673 9.9673 10.1716 10.1716 10.9251 10.9251 k = 0.0000 0.8259 0.1733 ( 2724 PWs) bands (ev): -33.9114 -33.9114 -33.4953 -33.4953 -15.2778 -15.2778 -14.6528 -14.6528 -13.9903 -13.9903 -13.3157 -13.3157 -13.2404 -13.2404 -12.7735 -12.7735 4.2037 4.2037 4.2246 4.2246 6.2355 6.2355 6.3031 6.3031 7.2067 7.2067 7.3802 7.3802 9.3871 9.3871 9.9618 9.9618 10.1615 10.1615 10.8647 10.8647 k = 0.0000 0.8259 0.1926 ( 2722 PWs) bands (ev): -33.9076 -33.9076 -33.4994 -33.4994 -15.2758 -15.2758 -14.6647 -14.6647 -13.9830 -13.9830 -13.3242 -13.3242 -13.2299 -13.2299 -12.7723 -12.7723 4.2063 4.2063 4.2288 4.2288 6.2331 6.2331 6.2975 6.2975 7.2198 7.2198 7.4276 7.4276 9.3803 9.3803 9.9659 9.9659 10.1396 10.1396 10.7603 10.7603 k = 0.0000 0.8259 0.2118 ( 2720 PWs) bands (ev): -33.9033 -33.9033 -33.5038 -33.5038 -15.2735 -15.2735 -14.6775 -14.6775 -13.9751 -13.9751 -13.3333 -13.3333 -13.2186 -13.2186 -12.7712 -12.7712 4.2090 4.2090 4.2327 4.2327 6.2329 6.2329 6.2924 6.2924 7.2346 7.2346 7.4781 7.4781 9.3663 9.3663 9.9801 9.9801 10.1014 10.1014 10.6682 10.6682 k = 0.0000 0.8259 0.2311 ( 2720 PWs) bands (ev): -33.8987 -33.8987 -33.5086 -33.5086 -15.2709 -15.2709 -14.6911 -14.6911 -13.9667 -13.9667 -13.3431 -13.3431 -13.2066 -13.2066 -12.7703 -12.7703 4.2118 4.2118 4.2364 4.2364 6.2353 6.2353 6.2880 6.2880 7.2511 7.2511 7.5312 7.5312 9.3453 9.3453 10.0029 10.0029 10.0443 10.0443 10.5929 10.5929 k = 0.0000 0.8259 0.2503 ( 2718 PWs) bands (ev): -33.8937 -33.8937 -33.5138 -33.5138 -15.2680 -15.2680 -14.7053 -14.7053 -13.9578 -13.9578 -13.3534 -13.3534 -13.1938 -13.1938 -12.7695 -12.7695 4.2146 4.2146 4.2396 4.2396 6.2402 6.2402 6.2847 6.2847 7.2693 7.2693 7.5867 7.5867 9.3183 9.3183 9.9640 9.9640 10.0380 10.0380 10.5338 10.5338 k = 0.0000 0.8259 0.2696 ( 2716 PWs) bands (ev): -33.8883 -33.8883 -33.5194 -33.5194 -15.2647 -15.2647 -14.7202 -14.7202 -13.9484 -13.9484 -13.3643 -13.3643 -13.1805 -13.1805 -12.7689 -12.7689 4.2173 4.2173 4.2424 4.2424 6.2475 6.2475 6.2829 6.2829 7.2895 7.2895 7.6445 7.6445 9.2864 9.2864 9.8712 9.8712 10.0771 10.0771 10.4865 10.4865 k = 0.0000 0.8259 0.2888 ( 2714 PWs) bands (ev): -33.8826 -33.8826 -33.5253 -33.5253 -15.2611 -15.2611 -14.7355 -14.7355 -13.9387 -13.9387 -13.3757 -13.3757 -13.1666 -13.1666 -12.7686 -12.7686 4.2199 4.2199 4.2446 4.2446 6.2567 6.2567 6.2836 6.2836 7.3115 7.3115 7.7042 7.7042 9.2507 9.2507 9.7675 9.7675 10.1223 10.1223 10.4454 10.4454 k = 0.0000 0.8259 0.3081 ( 2716 PWs) bands (ev): -33.8766 -33.8766 -33.5316 -33.5316 -15.2571 -15.2571 -14.7513 -14.7513 -13.9286 -13.9286 -13.3876 -13.3876 -13.1523 -13.1523 -12.7686 -12.7686 4.2224 4.2224 4.2463 4.2463 6.2658 6.2658 6.2888 6.2888 7.3354 7.3354 7.7657 7.7657 9.2121 9.2121 9.6578 9.6578 10.1717 10.1717 10.4058 10.4058 k = 0.0000 0.8259 0.3274 ( 2714 PWs) bands (ev): -33.8703 -33.8703 -33.5382 -33.5382 -15.2527 -15.2527 -14.7675 -14.7675 -13.9181 -13.9181 -13.3999 -13.3999 -13.1376 -13.1376 -12.7689 -12.7689 4.2247 4.2247 4.2473 4.2473 6.2726 6.2726 6.3009 6.3009 7.3613 7.3613 7.8288 7.8288 9.1715 9.1715 9.5457 9.5457 10.2242 10.2242 10.3645 10.3645 k = 0.0000 0.8259 0.3466 ( 2716 PWs) bands (ev): -33.8636 -33.8636 -33.5451 -33.5451 -15.2479 -15.2479 -14.7840 -14.7840 -13.9073 -13.9073 -13.4125 -13.4125 -13.1226 -13.1226 -12.7695 -12.7695 4.2267 4.2267 4.2478 4.2478 6.2782 6.2782 6.3187 6.3187 7.3891 7.3891 7.8930 7.8930 9.1295 9.1295 9.4333 9.4333 10.2782 10.2782 10.3202 10.3202 k = 0.0000 0.8259 0.3659 ( 2712 PWs) bands (ev): -33.8566 -33.8566 -33.5523 -33.5523 -15.2427 -15.2427 -14.8008 -14.8008 -13.8962 -13.8962 -13.4255 -13.4255 -13.1073 -13.1073 -12.7706 -12.7706 4.2285 4.2285 4.2478 4.2478 6.2847 6.2847 6.3403 6.3403 7.4187 7.4187 7.9580 7.9580 9.0865 9.0865 9.3227 9.3227 10.2707 10.2707 10.3340 10.3340 k = 0.0000 0.8259 0.3851 ( 2716 PWs) bands (ev): -33.8493 -33.8493 -33.5598 -33.5598 -15.2370 -15.2370 -14.8177 -14.8177 -13.8847 -13.8847 -13.4388 -13.4388 -13.0919 -13.0919 -12.7721 -12.7721 4.2299 4.2299 4.2472 4.2472 6.2927 6.2927 6.3645 6.3645 7.4502 7.4502 8.0232 8.0232 9.0430 9.0430 9.2151 9.2151 10.2182 10.2182 10.3881 10.3881 k = 0.0000 0.8259 0.4044 ( 2720 PWs) bands (ev): -33.8418 -33.8418 -33.5676 -33.5676 -15.2308 -15.2308 -14.8348 -14.8348 -13.8730 -13.8730 -13.4524 -13.4524 -13.0764 -13.0764 -12.7740 -12.7740 4.2310 4.2310 4.2463 4.2463 6.3026 6.3026 6.3908 6.3908 7.4835 7.4835 8.0877 8.0877 8.9991 8.9991 9.1124 9.1124 10.1620 10.1620 10.4403 10.4403 k = 0.0000 0.8259 0.4236 ( 2726 PWs) bands (ev): -33.8340 -33.8340 -33.5757 -33.5757 -15.2242 -15.2242 -14.8520 -14.8520 -13.8610 -13.8610 -13.4662 -13.4662 -13.0609 -13.0609 -12.7764 -12.7764 4.2317 4.2317 4.2450 4.2450 6.3146 6.3146 6.4187 6.4187 7.5183 7.5183 8.1501 8.1501 8.9544 8.9544 9.0170 9.0170 10.1032 10.1032 10.4888 10.4888 k = 0.0000 0.8259 0.4429 ( 2728 PWs) bands (ev): -33.8260 -33.8260 -33.5840 -33.5840 -15.2170 -15.2170 -14.8692 -14.8692 -13.8487 -13.8487 -13.4802 -13.4802 -13.0453 -13.0453 -12.7793 -12.7793 4.2321 4.2321 4.2434 4.2434 6.3289 6.3289 6.4476 6.4476 7.5546 7.5546 8.2083 8.2083 8.9037 8.9037 8.9368 8.9368 10.0430 10.0430 10.5316 10.5316 k = 0.0000 0.8259 0.4621 ( 2726 PWs) bands (ev): -33.8177 -33.8177 -33.5925 -33.5925 -15.2094 -15.2094 -14.8864 -14.8864 -13.8361 -13.8361 -13.4944 -13.4944 -13.0299 -13.0299 -12.7828 -12.7828 4.2321 4.2321 4.2417 4.2417 6.3452 6.3452 6.4768 6.4768 7.5920 7.5920 8.2586 8.2586 8.8385 8.8385 8.8841 8.8841 9.9830 9.9830 10.5663 10.5663 k = 0.0000 0.8259 0.4814 ( 2724 PWs) bands (ev): -33.8092 -33.8092 -33.6012 -33.6012 -15.2012 -15.2012 -14.9035 -14.9035 -13.8234 -13.8234 -13.5088 -13.5088 -13.0146 -13.0146 -12.7868 -12.7868 4.2317 4.2317 4.2400 4.2400 6.3637 6.3637 6.5058 6.5058 7.6302 7.6302 8.2954 8.2954 8.7798 8.7798 8.8437 8.8437 9.9247 9.9247 10.5901 10.5901 k = 0.0000 0.8259 0.5007 ( 2726 PWs) bands (ev): -33.8005 -33.8005 -33.6101 -33.6101 -15.1926 -15.1926 -14.9206 -14.9206 -13.8104 -13.8104 -13.5233 -13.5233 -12.9996 -12.9996 -12.7913 -12.7913 4.2310 4.2310 4.2382 4.2382 6.3842 6.3842 6.5339 6.5339 7.6689 7.6689 8.3115 8.3115 8.7415 8.7415 8.8086 8.8086 9.8704 9.8704 10.6002 10.6002 k = 0.0000 0.8259 0.5199 ( 2732 PWs) bands (ev): -33.7916 -33.7916 -33.6192 -33.6192 -15.1834 -15.1834 -14.9375 -14.9375 -13.7972 -13.7972 -13.5379 -13.5379 -12.9847 -12.9847 -12.7964 -12.7964 4.2301 4.2301 4.2365 4.2365 6.4065 6.4065 6.5604 6.5604 7.7077 7.7077 8.3029 8.3029 8.7256 8.7256 8.7803 8.7803 9.8224 9.8224 10.5946 10.5946 k = 0.0000 0.8259 0.5392 ( 2728 PWs) bands (ev): -33.7825 -33.7825 -33.6284 -33.6284 -15.1736 -15.1736 -14.9542 -14.9542 -13.7837 -13.7837 -13.5525 -13.5525 -12.9702 -12.9702 -12.8021 -12.8021 4.2290 4.2290 4.2349 4.2349 6.4304 6.4304 6.5844 6.5844 7.7458 7.7458 8.2738 8.2738 8.7188 8.7188 8.7668 8.7668 9.7835 9.7835 10.5720 10.5720 k = 0.0000 0.8259 0.5584 ( 2728 PWs) bands (ev): -33.7733 -33.7733 -33.6378 -33.6378 -15.1634 -15.1634 -14.9707 -14.9707 -13.7701 -13.7701 -13.5673 -13.5673 -12.9560 -12.9560 -12.8083 -12.8083 4.2279 4.2279 4.2334 4.2334 6.4554 6.4554 6.6053 6.6053 7.7829 7.7829 8.2332 8.2332 8.7051 8.7051 8.7739 8.7739 9.7570 9.7570 10.5329 10.5329 k = 0.0000 0.8259 0.5777 ( 2720 PWs) bands (ev): -33.7639 -33.7639 -33.6473 -33.6473 -15.1527 -15.1527 -14.9870 -14.9870 -13.7563 -13.7563 -13.5821 -13.5821 -12.9421 -12.9421 -12.8152 -12.8152 4.2268 4.2268 4.2319 4.2319 6.4813 6.4813 6.6222 6.6222 7.8181 7.8181 8.1888 8.1888 8.6902 8.6902 8.7870 8.7870 9.7458 9.7458 10.4794 10.4794 k = 0.0000 0.8259 0.5969 ( 2724 PWs) bands (ev): -33.7544 -33.7544 -33.6569 -33.6569 -15.1414 -15.1414 -15.0030 -15.0030 -13.7424 -13.7424 -13.5969 -13.5969 -12.9287 -12.9287 -12.8227 -12.8227 4.2259 4.2259 4.2304 4.2304 6.5075 6.5075 6.6347 6.6347 7.8511 7.8511 8.1451 8.1451 8.6798 8.6798 8.7950 8.7950 9.7522 9.7522 10.4141 10.4141 k = 0.0000 0.8259 0.6162 ( 2722 PWs) bands (ev): -33.7448 -33.7448 -33.6666 -33.6666 -15.1296 -15.1296 -15.0186 -15.0186 -13.7283 -13.7283 -13.6117 -13.6117 -12.9158 -12.9158 -12.8307 -12.8307 4.2253 4.2253 4.2291 4.2291 6.5334 6.5334 6.6421 6.6421 7.8814 7.8814 8.1047 8.1047 8.6758 8.6758 8.7940 8.7940 9.7768 9.7768 10.3403 10.3403 k = 0.0000 0.8259 0.6354 ( 2722 PWs) bands (ev): -33.7351 -33.7351 -33.6763 -33.6763 -15.1173 -15.1173 -15.0340 -15.0340 -13.7141 -13.7141 -13.6265 -13.6265 -12.9032 -12.9032 -12.8394 -12.8394 4.2248 4.2248 4.2279 4.2279 6.5583 6.5583 6.6443 6.6443 7.9091 7.9091 8.0684 8.0684 8.6787 8.6787 8.7839 8.7839 9.8182 9.8182 10.2608 10.2608 k = 0.0000 0.8259 0.6547 ( 2724 PWs) bands (ev): -33.7254 -33.7254 -33.6861 -33.6861 -15.1046 -15.1046 -15.0489 -15.0489 -13.6997 -13.6997 -13.6413 -13.6413 -12.8912 -12.8912 -12.8486 -12.8486 4.2247 4.2247 4.2268 4.2268 6.5815 6.5815 6.6410 6.6410 7.9346 7.9346 8.0365 8.0365 8.6885 8.6885 8.7669 8.7669 9.8740 9.8740 10.1785 10.1785 k = 0.0000 0.8259 0.6740 ( 2726 PWs) bands (ev): -33.7156 -33.7156 -33.6959 -33.6959 -15.0913 -15.0913 -15.0635 -15.0635 -13.6852 -13.6852 -13.6560 -13.6560 -12.8798 -12.8798 -12.8584 -12.8584 4.2248 4.2248 4.2259 4.2259 6.6021 6.6021 6.6326 6.6326 7.9588 7.9588 8.0084 8.0084 8.7041 8.7041 8.7459 8.7459 9.9410 9.9410 10.0960 10.0960 k = 0.0000 0.8259 0.6932 ( 2724 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0776 -15.0776 -15.0776 -15.0776 -13.6706 -13.6706 -13.6706 -13.6706 -12.8688 -12.8688 -12.8688 -12.8688 4.2252 4.2252 4.2252 4.2252 6.6194 6.6194 6.6194 6.6194 7.9829 7.9829 7.9829 7.9829 8.7240 8.7240 8.7240 8.7240 10.0159 10.0159 10.0159 10.0159 k = 0.0000 0.8259 0.6932 ( 2724 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0776 -15.0776 -15.0776 -15.0776 -13.6706 -13.6706 -13.6706 -13.6706 -12.8688 -12.8688 -12.8688 -12.8688 4.2252 4.2252 4.2252 4.2252 6.6194 6.6194 6.6194 6.6194 7.9829 7.9829 7.9829 7.9829 8.7240 8.7240 8.7240 8.7240 10.0159 10.0159 10.0159 10.0159 k = 0.0186 0.8259 0.6932 ( 2724 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0776 -15.0776 -15.0776 -15.0776 -13.6706 -13.6706 -13.6706 -13.6706 -12.8688 -12.8688 -12.8688 -12.8688 4.2247 4.2247 4.2260 4.2260 6.6191 6.6191 6.6204 6.6204 7.9801 7.9801 7.9825 7.9825 8.7235 8.7235 8.7262 8.7262 10.0157 10.0157 10.0172 10.0172 k = 0.0371 0.8259 0.6932 ( 2718 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0776 -15.0776 -15.0776 -15.0776 -13.6706 -13.6706 -13.6706 -13.6706 -12.8688 -12.8688 -12.8688 -12.8688 4.2244 4.2244 4.2270 4.2270 6.6195 6.6195 6.6221 6.6221 7.9741 7.9741 7.9789 7.9789 8.7248 8.7248 8.7300 8.7300 10.0165 10.0165 10.0194 10.0194 k = 0.0557 0.8259 0.6932 ( 2708 PWs) bands (ev): -33.7057 -33.7057 -33.7057 -33.7057 -15.0777 -15.0777 -15.0776 -15.0776 -13.6706 -13.6706 -13.6705 -13.6705 -12.8688 -12.8688 -12.8687 -12.8687 4.2243 4.2243 4.2282 4.2282 6.6205 6.6205 6.6244 6.6244 7.9652 7.9652 7.9723 7.9723 8.7276 8.7276 8.7352 8.7352 10.0182 10.0182 10.0224 10.0224 k = 0.0742 0.8259 0.6932 ( 2710 PWs) bands (ev): -33.7057 -33.7057 -33.7057 -33.7057 -15.0777 -15.0777 -15.0776 -15.0776 -13.6705 -13.6705 -13.6704 -13.6704 -12.8687 -12.8687 -12.8687 -12.8687 4.2244 4.2244 4.2295 4.2295 6.6223 6.6223 6.6274 6.6274 7.9537 7.9537 7.9627 7.9627 8.7320 8.7320 8.7418 8.7418 10.0207 10.0207 10.0262 10.0262 k = 0.0928 0.8259 0.6932 ( 2712 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0777 -15.0777 -15.0776 -15.0776 -13.6704 -13.6704 -13.6703 -13.6703 -12.8687 -12.8687 -12.8686 -12.8686 4.2247 4.2247 4.2310 4.2310 6.6246 6.6246 6.6310 6.6310 7.9397 7.9397 7.9504 7.9504 8.7377 8.7377 8.7495 8.7495 10.0239 10.0239 10.0306 10.0306 k = 0.1114 0.8259 0.6932 ( 2710 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0778 -15.0778 -15.0776 -15.0776 -13.6703 -13.6703 -13.6701 -13.6701 -12.8686 -12.8686 -12.8685 -12.8685 4.2252 4.2252 4.2326 4.2326 6.6275 6.6275 6.6351 6.6351 7.9238 7.9238 7.9359 7.9359 8.7446 8.7446 8.7581 8.7581 10.0275 10.0275 10.0353 10.0353 k = 0.1299 0.8259 0.6932 ( 2710 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0778 -15.0778 -15.0776 -15.0776 -13.6702 -13.6702 -13.6699 -13.6699 -12.8685 -12.8685 -12.8685 -12.8685 4.2258 4.2258 4.2343 4.2343 6.6310 6.6310 6.6398 6.6398 7.9063 7.9063 7.9196 7.9196 8.7524 8.7524 8.7674 8.7674 10.0315 10.0315 10.0402 10.0402 k = 0.1485 0.8259 0.6932 ( 2720 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0779 -15.0779 -15.0776 -15.0776 -13.6701 -13.6701 -13.6697 -13.6697 -12.8684 -12.8684 -12.8684 -12.8684 4.2264 4.2264 4.2359 4.2359 6.6348 6.6348 6.6449 6.6449 7.8877 7.8877 7.9019 7.9019 8.7608 8.7608 8.7770 8.7770 10.0356 10.0356 10.0450 10.0450 k = 0.1670 0.8259 0.6932 ( 2720 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0779 -15.0779 -15.0776 -15.0776 -13.6699 -13.6699 -13.6695 -13.6695 -12.8683 -12.8683 -12.8683 -12.8683 4.2271 4.2271 4.2375 4.2375 6.6391 6.6391 6.6503 6.6503 7.8686 7.8686 7.8833 7.8833 8.7696 8.7696 8.7867 8.7867 10.0395 10.0395 10.0495 10.0495 k = 0.1856 0.8259 0.6932 ( 2722 PWs) bands (ev): -33.7059 -33.7059 -33.7059 -33.7059 -15.0779 -15.0779 -15.0776 -15.0776 -13.6697 -13.6697 -13.6692 -13.6692 -12.8683 -12.8683 -12.8681 -12.8681 4.2278 4.2278 4.2390 4.2390 6.6435 6.6435 6.6558 6.6558 7.8494 7.8494 7.8645 7.8645 8.7784 8.7784 8.7962 8.7962 10.0430 10.0430 10.0535 10.0535 k = 0.2042 0.8259 0.6932 ( 2726 PWs) bands (ev): -33.7059 -33.7059 -33.7059 -33.7059 -15.0780 -15.0780 -15.0776 -15.0776 -13.6696 -13.6696 -13.6689 -13.6689 -12.8682 -12.8682 -12.8680 -12.8680 4.2284 4.2284 4.2403 4.2403 6.6479 6.6479 6.6613 6.6613 7.8308 7.8308 7.8459 7.8459 8.7868 8.7868 8.8052 8.8052 10.0459 10.0459 10.0568 10.0568 k = 0.2227 0.8259 0.6932 ( 2726 PWs) bands (ev): -33.7059 -33.7059 -33.7059 -33.7059 -15.0780 -15.0780 -15.0776 -15.0776 -13.6694 -13.6694 -13.6685 -13.6685 -12.8681 -12.8681 -12.8678 -12.8678 4.2288 4.2288 4.2414 4.2414 6.6522 6.6522 6.6667 6.6667 7.8134 7.8134 7.8282 7.8282 8.7946 8.7946 8.8134 8.8134 10.0482 10.0482 10.0592 10.0592 k = 0.2413 0.8259 0.6932 ( 2730 PWs) bands (ev): -33.7060 -33.7060 -33.7060 -33.7060 -15.0781 -15.0781 -15.0776 -15.0776 -13.6692 -13.6692 -13.6681 -13.6681 -12.8681 -12.8681 -12.8676 -12.8676 4.2290 4.2290 4.2422 4.2422 6.6562 6.6562 6.6716 6.6716 7.7977 7.7977 7.8120 7.8120 8.8015 8.8015 8.8204 8.8204 10.0495 10.0495 10.0606 10.0606 k = 0.2598 0.8259 0.6932 ( 2734 PWs) bands (ev): -33.7060 -33.7060 -33.7060 -33.7060 -15.0781 -15.0781 -15.0776 -15.0776 -13.6689 -13.6689 -13.6677 -13.6677 -12.8680 -12.8680 -12.8675 -12.8675 4.2290 4.2290 4.2426 4.2426 6.6595 6.6595 6.6759 6.6759 7.7844 7.7844 7.7981 7.7981 8.8071 8.8071 8.8261 8.8261 10.0500 10.0500 10.0611 10.0611 k = 0.2784 0.8259 0.6932 ( 2736 PWs) bands (ev): -33.7061 -33.7061 -33.7061 -33.7061 -15.0782 -15.0782 -15.0776 -15.0776 -13.6687 -13.6687 -13.6672 -13.6672 -12.8680 -12.8680 -12.8673 -12.8673 4.2287 4.2287 4.2425 4.2425 6.6620 6.6620 6.6792 6.6792 7.7740 7.7740 7.7869 7.7869 8.8111 8.8111 8.8301 8.8301 10.0497 10.0497 10.0607 10.0607 k = 0.2784 0.8259 0.6932 ( 2736 PWs) bands (ev): -33.7061 -33.7061 -33.7061 -33.7061 -15.0782 -15.0782 -15.0776 -15.0776 -13.6687 -13.6687 -13.6672 -13.6672 -12.8680 -12.8680 -12.8673 -12.8673 4.2287 4.2287 4.2425 4.2425 6.6620 6.6620 6.6792 6.6792 7.7740 7.7740 7.7869 7.7869 8.8111 8.8111 8.8301 8.8301 10.0497 10.0497 10.0607 10.0607 k = 0.2724 0.8080 0.6932 ( 2736 PWs) bands (ev): -33.7060 -33.7060 -33.7060 -33.7060 -15.0780 -15.0780 -15.0777 -15.0777 -13.6694 -13.6694 -13.6686 -13.6686 -12.8681 -12.8681 -12.8679 -12.8679 4.2298 4.2298 4.2428 4.2428 6.6533 6.6533 6.6679 6.6679 7.8054 7.8054 7.8211 7.8211 8.8011 8.8011 8.8204 8.8204 10.0521 10.0521 10.0633 10.0633 k = 0.2663 0.7900 0.6932 ( 2732 PWs) bands (ev): -33.7059 -33.7059 -33.7059 -33.7059 -15.0779 -15.0779 -15.0777 -15.0777 -13.6698 -13.6698 -13.6698 -13.6698 -12.8685 -12.8685 -12.8681 -12.8681 4.2297 4.2297 4.2419 4.2419 6.6408 6.6408 6.6528 6.6528 7.8434 7.8434 7.8620 7.8620 8.7908 8.7908 8.8103 8.8103 10.0545 10.0545 10.0658 10.0658 k = 0.2603 0.7720 0.6932 ( 2732 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0778 -15.0778 -15.0777 -15.0777 -13.6707 -13.6707 -13.6699 -13.6699 -12.8690 -12.8690 -12.8680 -12.8680 4.2282 4.2282 4.2395 4.2395 6.6256 6.6256 6.6351 6.6351 7.8871 7.8871 7.9086 7.9086 8.7795 8.7795 8.7993 8.7993 10.0570 10.0570 10.0682 10.0682 k = 0.2542 0.7541 0.6932 ( 2728 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0778 -15.0778 -15.0775 -15.0775 -13.6714 -13.6714 -13.6698 -13.6698 -12.8695 -12.8695 -12.8679 -12.8679 4.2253 4.2253 4.2356 4.2356 6.6088 6.6088 6.6160 6.6160 7.9357 7.9357 7.9599 7.9599 8.7668 8.7668 8.7870 8.7870 10.0598 10.0598 10.0707 10.0707 k = 0.2481 0.7361 0.6932 ( 2712 PWs) bands (ev): -33.7057 -33.7057 -33.7057 -33.7057 -15.0778 -15.0778 -15.0774 -15.0774 -13.6718 -13.6718 -13.6694 -13.6694 -12.8699 -12.8699 -12.8678 -12.8678 4.2208 4.2208 4.2302 4.2302 6.5916 6.5916 6.5967 6.5967 7.9883 7.9883 8.0150 8.0150 8.7522 8.7522 8.7727 8.7727 10.0632 10.0632 10.0736 10.0736 k = 0.2421 0.7182 0.6932 ( 2708 PWs) bands (ev): -33.7057 -33.7057 -33.7057 -33.7057 -15.0778 -15.0778 -15.0772 -15.0772 -13.6719 -13.6719 -13.6688 -13.6688 -12.8703 -12.8703 -12.8676 -12.8676 4.2146 4.2146 4.2231 4.2231 6.5749 6.5749 6.5781 6.5781 8.0440 8.0440 8.0731 8.0731 8.7354 8.7354 8.7562 8.7562 10.0673 10.0673 10.0769 10.0769 k = 0.2360 0.7002 0.6932 ( 2706 PWs) bands (ev): -33.7058 -33.7058 -33.7058 -33.7058 -15.0778 -15.0778 -15.0770 -15.0770 -13.6718 -13.6718 -13.6679 -13.6679 -12.8706 -12.8706 -12.8673 -12.8673 4.2067 4.2067 4.2142 4.2142 6.5595 6.5595 6.5610 6.5610 8.1019 8.1019 8.1333 8.1333 8.7161 8.7161 8.7372 8.7372 10.0722 10.0722 10.0808 10.0808 k = 0.2300 0.6823 0.6932 ( 2714 PWs) bands (ev): -33.7059 -33.7059 -33.7059 -33.7059 -15.0778 -15.0778 -15.0767 -15.0767 -13.6714 -13.6714 -13.6668 -13.6668 -12.8708 -12.8708 -12.8670 -12.8670 4.1969 4.1969 4.2035 4.2035 6.5461 6.5461 6.5461 6.5461 8.1612 8.1612 8.1947 8.1947 8.6943 8.6943 8.7156 8.7156 10.0780 10.0780 10.0854 10.0854 k = 0.2239 0.6643 0.6932 ( 2718 PWs) bands (ev): -33.7060 -33.7060 -33.7060 -33.7060 -15.0778 -15.0778 -15.0765 -15.0765 -13.6708 -13.6708 -13.6654 -13.6654 -12.8710 -12.8710 -12.8667 -12.8667 4.1853 4.1853 4.1909 4.1909 6.5341 6.5341 6.5353 6.5353 8.2209 8.2209 8.2563 8.2563 8.6703 8.6703 8.6918 8.6918 10.0848 10.0848 10.0907 10.0907 k = 0.2179 0.6464 0.6932 ( 2718 PWs) bands (ev): -33.7061 -33.7061 -33.7061 -33.7061 -15.0778 -15.0778 -15.0763 -15.0763 -13.6699 -13.6699 -13.6638 -13.6638 -12.8711 -12.8711 -12.8663 -12.8663 4.1718 4.1718 4.1765 4.1765 6.5254 6.5254 6.5276 6.5276 8.2792 8.2792 8.3161 8.3161 8.6453 8.6453 8.6667 8.6667 10.0925 10.0925 10.0967 10.0967 k = 0.2118 0.6284 0.6932 ( 2726 PWs) bands (ev): -33.7062 -33.7062 -33.7062 -33.7062 -15.0777 -15.0777 -15.0761 -15.0761 -13.6688 -13.6688 -13.6620 -13.6620 -12.8712 -12.8712 -12.8658 -12.8658 4.1564 4.1564 4.1603 4.1603 6.5203 6.5203 6.5234 6.5234 8.3333 8.3333 8.3708 8.3708 8.6223 8.6223 8.6426 8.6426 10.1010 10.1010 10.1034 10.1034 k = 0.2058 0.6105 0.6932 ( 2726 PWs) bands (ev): -33.7064 -33.7064 -33.7064 -33.7064 -15.0777 -15.0777 -15.0758 -15.0758 -13.6674 -13.6674 -13.6599 -13.6599 -12.8712 -12.8712 -12.8653 -12.8653 4.1391 4.1391 4.1422 4.1422 6.5193 6.5193 6.5229 6.5229 8.3775 8.3775 8.4119 8.4119 8.6092 8.6092 8.6250 8.6250 10.1103 10.1103 10.1105 10.1105 k = 0.1997 0.5925 0.6932 ( 2726 PWs) bands (ev): -33.7066 -33.7066 -33.7066 -33.7066 -15.0776 -15.0776 -15.0756 -15.0756 -13.6657 -13.6657 -13.6577 -13.6577 -12.8711 -12.8711 -12.8648 -12.8648 4.1199 4.1199 4.1224 4.1224 6.5224 6.5224 6.5265 6.5265 8.4013 8.4013 8.4253 8.4253 8.6197 8.6197 8.6239 8.6239 10.1179 10.1179 10.1200 10.1200 k = 0.1937 0.5745 0.6932 ( 2730 PWs) bands (ev): -33.7068 -33.7068 -33.7068 -33.7068 -15.0775 -15.0775 -15.0754 -15.0754 -13.6639 -13.6639 -13.6552 -13.6552 -12.8710 -12.8710 -12.8642 -12.8642 4.0991 4.0991 4.1009 4.1009 6.5299 6.5299 6.5343 6.5343 8.3965 8.3965 8.4079 8.4079 8.6473 8.6473 8.6569 8.6569 10.1253 10.1253 10.1298 10.1298 k = 0.1876 0.5566 0.6932 ( 2726 PWs) bands (ev): -33.7070 -33.7070 -33.7070 -33.7070 -15.0774 -15.0774 -15.0751 -15.0751 -13.6618 -13.6618 -13.6526 -13.6526 -12.8708 -12.8708 -12.8636 -12.8636 4.0766 4.0766 4.0779 4.0779 6.5419 6.5419 6.5463 6.5463 8.3686 8.3686 8.3720 8.3720 8.6897 8.6897 8.7081 8.7081 10.1325 10.1325 10.1396 10.1396 k = 0.1816 0.5386 0.6932 ( 2726 PWs) bands (ev): -33.7072 -33.7072 -33.7072 -33.7072 -15.0773 -15.0773 -15.0749 -15.0749 -13.6596 -13.6596 -13.6498 -13.6498 -12.8705 -12.8705 -12.8629 -12.8629 4.0526 4.0526 4.0534 4.0534 6.5584 6.5584 6.5627 6.5627 8.3266 8.3266 8.3273 8.3273 8.7410 8.7410 8.7643 8.7643 10.1392 10.1392 10.1489 10.1489 k = 0.1755 0.5207 0.6932 ( 2726 PWs) bands (ev): -33.7074 -33.7074 -33.7074 -33.7074 -15.0772 -15.0772 -15.0747 -15.0747 -13.6571 -13.6571 -13.6469 -13.6469 -12.8702 -12.8702 -12.8622 -12.8622 4.0272 4.0272 4.0276 4.0276 6.5793 6.5793 6.5833 6.5833 8.2755 8.2755 8.2784 8.2784 8.7956 8.7956 8.8215 8.8215 10.1451 10.1451 10.1574 10.1574 k = 0.1695 0.5027 0.6932 ( 2722 PWs) bands (ev): -33.7077 -33.7077 -33.7077 -33.7077 -15.0771 -15.0771 -15.0745 -15.0745 -13.6545 -13.6545 -13.6438 -13.6438 -12.8698 -12.8698 -12.8615 -12.8615 4.0007 4.0007 4.0008 4.0008 6.6047 6.6047 6.6083 6.6083 8.2207 8.2207 8.2246 8.2246 8.8505 8.8505 8.8778 8.8778 10.1497 10.1497 10.1648 10.1648 k = 0.1634 0.4848 0.6932 ( 2730 PWs) bands (ev): -33.7080 -33.7080 -33.7080 -33.7080 -15.0770 -15.0770 -15.0742 -15.0742 -13.6517 -13.6517 -13.6406 -13.6406 -12.8693 -12.8693 -12.8608 -12.8608 3.9730 3.9730 3.9732 3.9732 6.6344 6.6344 6.6375 6.6375 8.1631 8.1631 8.1675 8.1675 8.9043 8.9043 8.9321 8.9321 10.1529 10.1529 10.1706 10.1706 k = 0.1574 0.4668 0.6932 ( 2726 PWs) bands (ev): -33.7082 -33.7082 -33.7082 -33.7082 -15.0769 -15.0769 -15.0740 -15.0740 -13.6488 -13.6488 -13.6374 -13.6374 -12.8688 -12.8688 -12.8600 -12.8600 3.9444 3.9444 3.9449 3.9449 6.6683 6.6683 6.6708 6.6708 8.1035 8.1035 8.1082 8.1082 8.9558 8.9558 8.9837 8.9837 10.1543 10.1543 10.1746 10.1746 k = 0.1513 0.4489 0.6932 ( 2726 PWs) bands (ev): -33.7085 -33.7085 -33.7085 -33.7085 -15.0768 -15.0768 -15.0739 -15.0739 -13.6457 -13.6457 -13.6341 -13.6341 -12.8682 -12.8682 -12.8592 -12.8592 3.9153 3.9153 3.9160 3.9160 6.7064 6.7064 6.7082 6.7082 8.0425 8.0425 8.0472 8.0472 9.0044 9.0044 9.0318 9.0318 10.1536 10.1536 10.1764 10.1764 k = 0.1453 0.4309 0.6932 ( 2726 PWs) bands (ev): -33.7088 -33.7088 -33.7088 -33.7088 -15.0766 -15.0766 -15.0737 -15.0737 -13.6425 -13.6425 -13.6307 -13.6307 -12.8675 -12.8675 -12.8584 -12.8584 3.8858 3.8858 3.8866 3.8866 6.7485 6.7485 6.7494 6.7494 7.9806 7.9806 7.9852 7.9852 9.0495 9.0495 9.0761 9.0761 10.1505 10.1505 10.1757 10.1757 k = 0.1392 0.4130 0.6932 ( 2734 PWs) bands (ev): -33.7091 -33.7091 -33.7091 -33.7091 -15.0765 -15.0765 -15.0735 -15.0735 -13.6393 -13.6393 -13.6273 -13.6273 -12.8668 -12.8668 -12.8575 -12.8575 3.8562 3.8562 3.8570 3.8570 6.7943 6.7943 6.7943 6.7943 7.9184 7.9184 7.9228 7.9228 9.0907 9.0907 9.1161 9.1161 10.1450 10.1450 10.1724 10.1724 k = 0.1332 0.3950 0.6932 ( 2742 PWs) bands (ev): -33.7094 -33.7094 -33.7094 -33.7094 -15.0764 -15.0764 -15.0734 -15.0734 -13.6360 -13.6360 -13.6239 -13.6239 -12.8660 -12.8660 -12.8567 -12.8567 3.8265 3.8265 3.8274 3.8274 6.8428 6.8428 6.8438 6.8438 7.8562 7.8562 7.8604 7.8604 9.1275 9.1275 9.1515 9.1515 10.1369 10.1369 10.1661 10.1661 k = 0.1271 0.3770 0.6932 ( 2742 PWs) bands (ev): -33.7098 -33.7098 -33.7097 -33.7097 -15.0762 -15.0762 -15.0732 -15.0732 -13.6326 -13.6326 -13.6205 -13.6205 -12.8652 -12.8652 -12.8558 -12.8558 3.7969 3.7969 3.7979 3.7979 6.8947 6.8947 6.8967 6.8967 7.7945 7.7945 7.7984 7.7984 9.1597 9.1597 9.1818 9.1818 10.1260 10.1260 10.1569 10.1569 k = 0.1210 0.3591 0.6932 ( 2742 PWs) bands (ev): -33.7101 -33.7101 -33.7101 -33.7101 -15.0761 -15.0761 -15.0731 -15.0731 -13.6292 -13.6292 -13.6171 -13.6171 -12.8643 -12.8643 -12.8550 -12.8550 3.7677 3.7677 3.7687 3.7687 6.9497 6.9497 6.9529 6.9529 7.7336 7.7336 7.7373 7.7373 9.1869 9.1869 9.2070 9.2070 10.1125 10.1125 10.1446 10.1446 k = 0.1150 0.3411 0.6932 ( 2742 PWs) bands (ev): -33.7104 -33.7104 -33.7104 -33.7104 -15.0759 -15.0759 -15.0730 -15.0730 -13.6257 -13.6257 -13.6138 -13.6138 -12.8634 -12.8634 -12.8541 -12.8541 3.7389 3.7389 3.7399 3.7399 7.0077 7.0077 7.0120 7.0120 7.6740 7.6740 7.6774 7.6774 9.2089 9.2089 9.2267 9.2267 10.0965 10.0965 10.1294 10.1294 k = 0.1089 0.3232 0.6932 ( 2742 PWs) bands (ev): -33.7107 -33.7107 -33.7107 -33.7107 -15.0758 -15.0758 -15.0729 -15.0729 -13.6223 -13.6223 -13.6105 -13.6105 -12.8624 -12.8624 -12.8533 -12.8533 3.7108 3.7108 3.7118 3.7118 7.0684 7.0684 7.0739 7.0739 7.6161 7.6161 7.6193 7.6193 9.2255 9.2255 9.2407 9.2407 10.0781 10.0781 10.1115 10.1115 k = 0.1029 0.3052 0.6932 ( 2750 PWs) bands (ev): -33.7110 -33.7110 -33.7110 -33.7110 -15.0757 -15.0757 -15.0728 -15.0728 -13.6189 -13.6189 -13.6073 -13.6073 -12.8615 -12.8615 -12.8525 -12.8525 3.6835 3.6835 3.6844 3.6844 7.1314 7.1314 7.1380 7.1380 7.5605 7.5605 7.5633 7.5633 9.2365 9.2365 9.2489 9.2489 10.0577 10.0577 10.0910 10.0910 k = 0.0968 0.2873 0.6932 ( 2750 PWs) bands (ev): -33.7113 -33.7113 -33.7113 -33.7113 -15.0755 -15.0755 -15.0728 -15.0728 -13.6156 -13.6156 -13.6043 -13.6043 -12.8604 -12.8604 -12.8517 -12.8517 3.6570 3.6570 3.6579 3.6579 7.1958 7.1958 7.2036 7.2036 7.5080 7.5080 7.5105 7.5105 9.2418 9.2418 9.2511 9.2511 10.0358 10.0358 10.0685 10.0685 k = 0.0908 0.2693 0.6932 ( 2746 PWs) bands (ev): -33.7115 -33.7115 -33.7115 -33.7115 -15.0754 -15.0754 -15.0728 -15.0728 -13.6123 -13.6123 -13.6014 -13.6014 -12.8594 -12.8594 -12.8509 -12.8509 3.6316 3.6316 3.6324 3.6324 7.2596 7.2596 7.2681 7.2681 7.4613 7.4613 7.4630 7.4630 9.2412 9.2412 9.2472 9.2472 10.0127 10.0127 10.0443 10.0443 k = 0.0847 0.2514 0.6932 ( 2742 PWs) bands (ev): -33.7118 -33.7118 -33.7118 -33.7118 -15.0753 -15.0753 -15.0727 -15.0727 -13.6091 -13.6091 -13.5986 -13.5986 -12.8584 -12.8584 -12.8502 -12.8502 3.6073 3.6073 3.6080 3.6080 7.3130 7.3130 7.3200 7.3200 7.4305 7.4305 7.4319 7.4319 9.2344 9.2344 9.2369 9.2369 9.9891 9.9891 10.0191 10.0191 k = 0.0787 0.2334 0.6932 ( 2750 PWs) bands (ev): -33.7121 -33.7121 -33.7121 -33.7121 -15.0751 -15.0751 -15.0727 -15.0727 -13.6060 -13.6060 -13.5959 -13.5959 -12.8573 -12.8573 -12.8495 -12.8495 3.5842 3.5842 3.5849 3.5849 7.3211 7.3211 7.3222 7.3222 7.4480 7.4480 7.4568 7.4568 9.2201 9.2201 9.2213 9.2213 9.9656 9.9656 9.9935 9.9935 k = 0.0726 0.2155 0.6932 ( 2750 PWs) bands (ev): -33.7123 -33.7123 -33.7123 -33.7123 -15.0750 -15.0750 -15.0727 -15.0727 -13.6030 -13.6030 -13.5935 -13.5935 -12.8563 -12.8563 -12.8489 -12.8489 3.5625 3.5625 3.5631 3.5631 7.2898 7.2898 7.2906 7.2906 7.5089 7.5089 7.5211 7.5211 9.1969 9.1969 9.2017 9.2017 9.9426 9.9426 9.9682 9.9682 k = 0.0666 0.1975 0.6932 ( 2746 PWs) bands (ev): -33.7126 -33.7126 -33.7126 -33.7126 -15.0749 -15.0749 -15.0727 -15.0727 -13.6001 -13.6001 -13.5912 -13.5912 -12.8553 -12.8553 -12.8483 -12.8483 3.5421 3.5421 3.5427 3.5427 7.2522 7.2522 7.2534 7.2534 7.5812 7.5812 7.5952 7.5952 9.1671 9.1671 9.1756 9.1756 9.9208 9.9208 9.9437 9.9437 k = 0.0605 0.1795 0.6932 ( 2742 PWs) bands (ev): -33.7128 -33.7128 -33.7128 -33.7128 -15.0747 -15.0747 -15.0728 -15.0728 -13.5974 -13.5974 -13.5891 -13.5891 -12.8543 -12.8543 -12.8478 -12.8478 3.5233 3.5233 3.5239 3.5239 7.2156 7.2156 7.2167 7.2167 7.6575 7.6575 7.6729 7.6729 9.1309 9.1309 9.1429 9.1429 9.9005 9.9005 9.9206 9.9206 k = 0.0545 0.1616 0.6932 ( 2732 PWs) bands (ev): -33.7129 -33.7129 -33.7129 -33.7129 -15.0746 -15.0746 -15.0728 -15.0728 -13.5949 -13.5949 -13.5873 -13.5873 -12.8533 -12.8533 -12.8474 -12.8474 3.5061 3.5061 3.5066 3.5066 7.1813 7.1813 7.1824 7.1824 7.7359 7.7359 7.7526 7.7526 9.0886 9.0886 9.1037 9.1037 9.8821 9.8821 9.8993 9.8993 k = 0.0484 0.1436 0.6932 ( 2736 PWs) bands (ev): -33.7131 -33.7131 -33.7131 -33.7131 -15.0745 -15.0745 -15.0728 -15.0728 -13.5925 -13.5925 -13.5856 -13.5856 -12.8523 -12.8523 -12.8470 -12.8470 3.4905 3.4905 3.4909 3.4909 7.1500 7.1500 7.1510 7.1510 7.8156 7.8156 7.8336 7.8336 9.0406 9.0406 9.0585 9.0585 9.8657 9.8657 9.8802 9.8802 k = 0.0424 0.1257 0.6932 ( 2740 PWs) bands (ev): -33.7133 -33.7133 -33.7133 -33.7133 -15.0743 -15.0743 -15.0729 -15.0729 -13.5903 -13.5903 -13.5842 -13.5842 -12.8514 -12.8514 -12.8467 -12.8467 3.4766 3.4766 3.4770 3.4770 7.1221 7.1221 7.1229 7.1229 7.8962 7.8962 7.9154 7.9154 8.9873 8.9873 9.0075 9.0075 9.8514 9.8514 9.8635 9.8635 k = 0.0363 0.1077 0.6932 ( 2740 PWs) bands (ev): -33.7135 -33.7135 -33.7135 -33.7135 -15.0742 -15.0742 -15.0730 -15.0730 -13.5884 -13.5884 -13.5831 -13.5831 -12.8506 -12.8506 -12.8465 -12.8465 3.4645 3.4645 3.4648 3.4648 7.0976 7.0976 7.0983 7.0983 7.9772 7.9772 7.9974 7.9974 8.9295 8.9295 8.9515 8.9515 9.8393 9.8393 9.8490 9.8490 k = 0.0303 0.0898 0.6932 ( 2740 PWs) bands (ev): -33.7136 -33.7136 -33.7136 -33.7136 -15.0741 -15.0741 -15.0730 -15.0730 -13.5866 -13.5866 -13.5821 -13.5821 -12.8498 -12.8498 -12.8463 -12.8463 3.4541 3.4541 3.4544 3.4544 7.0767 7.0767 7.0773 7.0773 8.0581 8.0581 8.0791 8.0791 8.8678 8.8678 8.8910 8.8910 9.8293 9.8293 9.8370 9.8370 k = 0.0242 0.0718 0.6932 ( 2736 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0740 -15.0740 -15.0731 -15.0731 -13.5851 -13.5851 -13.5815 -13.5815 -12.8491 -12.8491 -12.8463 -12.8463 3.4456 3.4456 3.4458 3.4458 7.0595 7.0595 7.0599 7.0599 8.1380 8.1380 8.1597 8.1597 8.8034 8.8034 8.8272 8.8272 9.8213 9.8213 9.8272 9.8272 k = 0.0182 0.0539 0.6932 ( 2732 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0739 -15.0739 -15.0732 -15.0732 -13.5838 -13.5838 -13.5810 -13.5810 -12.8485 -12.8485 -12.8463 -12.8463 3.4390 3.4390 3.4391 3.4391 7.0460 7.0460 7.0464 7.0464 8.2160 8.2160 8.2377 8.2377 8.7378 8.7378 8.7613 8.7613 9.8154 9.8154 9.8196 9.8196 k = 0.0121 0.0359 0.6932 ( 2736 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0737 -15.0737 -15.0733 -15.0733 -13.5827 -13.5827 -13.5809 -13.5809 -12.8479 -12.8479 -12.8465 -12.8465 3.4342 3.4342 3.4343 3.4343 7.0364 7.0364 7.0366 7.0366 8.2896 8.2896 8.3099 8.3099 8.6744 8.6744 8.6961 8.6961 9.8113 9.8113 9.8140 9.8140 k = 0.0061 0.0180 0.6932 ( 2736 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0736 -15.0736 -15.0734 -15.0734 -13.5819 -13.5819 -13.5809 -13.5809 -12.8474 -12.8474 -12.8467 -12.8467 3.4314 3.4314 3.4314 3.4314 7.0306 7.0306 7.0308 7.0308 8.3527 8.3527 8.3675 8.3675 8.6223 8.6223 8.6378 8.6378 9.8091 9.8091 9.8105 9.8105 k = 0.0000 0.0000 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0735 -15.0735 -15.0735 -15.0735 -13.5813 -13.5813 -13.5813 -13.5813 -12.8470 -12.8470 -12.8470 -12.8470 3.4304 3.4304 3.4304 3.4304 7.0288 7.0288 7.0288 7.0288 8.3868 8.3868 8.3868 8.3868 8.6050 8.6050 8.6050 8.6050 9.8089 9.8089 9.8089 9.8089 k = 0.0000 0.0000 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0735 -15.0735 -15.0735 -15.0735 -13.5813 -13.5813 -13.5813 -13.5813 -12.8470 -12.8470 -12.8470 -12.8470 3.4304 3.4304 3.4304 3.4304 7.0288 7.0288 7.0288 7.0288 8.3868 8.3868 8.3868 8.3868 8.6050 8.6050 8.6050 8.6050 9.8089 9.8089 9.8089 9.8089 k = 0.0000 0.0000 0.6740 ( 2740 PWs) bands (ev): -33.7237 -33.7237 -33.7040 -33.7040 -15.0880 -15.0880 -15.0585 -15.0585 -13.5967 -13.5967 -13.5659 -13.5659 -12.8566 -12.8566 -12.8379 -12.8379 3.3534 3.3534 3.5062 3.5062 7.0057 7.0057 7.0503 7.0503 8.3574 8.3574 8.4241 8.4241 8.5797 8.5797 8.6337 8.6337 9.8039 9.8039 9.8124 9.8124 k = 0.0000 0.0000 0.6547 ( 2740 PWs) bands (ev): -33.7336 -33.7336 -33.6941 -33.6941 -15.1020 -15.1020 -15.0431 -15.0431 -13.6121 -13.6121 -13.5505 -13.5505 -12.8666 -12.8666 -12.8294 -12.8294 3.2755 3.2755 3.5803 3.5803 6.9827 6.9827 7.0687 7.0687 8.3376 8.3376 8.4675 8.4675 8.5579 8.5579 8.6655 8.6655 9.7972 9.7972 9.8149 9.8149 k = 0.0000 0.0000 0.6354 ( 2744 PWs) bands (ev): -33.7433 -33.7433 -33.6843 -33.6843 -15.1155 -15.1155 -15.0272 -15.0272 -13.6275 -13.6275 -13.5351 -13.5351 -12.8771 -12.8771 -12.8213 -12.8213 3.1970 3.1970 3.6524 3.6524 6.9612 6.9612 7.0824 7.0824 8.3287 8.3287 8.5134 8.5134 8.5419 8.5419 8.7005 8.7005 9.7883 9.7883 9.8170 9.8170 k = 0.0000 0.0000 0.6162 ( 2742 PWs) bands (ev): -33.7531 -33.7531 -33.6745 -33.6745 -15.1284 -15.1284 -15.0108 -15.0108 -13.6429 -13.6429 -13.5197 -13.5197 -12.8881 -12.8881 -12.8138 -12.8138 3.1182 3.1182 3.7221 3.7221 6.9424 6.9424 7.0900 7.0900 8.3321 8.3321 8.5199 8.5199 8.5721 8.5721 8.7386 8.7386 9.7771 9.7771 9.8190 9.8190 k = 0.0000 0.0000 0.5969 ( 2738 PWs) bands (ev): -33.7627 -33.7627 -33.6648 -33.6648 -15.1408 -15.1408 -14.9941 -14.9941 -13.6583 -13.6583 -13.5044 -13.5044 -12.8994 -12.8994 -12.8069 -12.8069 3.0394 3.0394 3.7890 3.7890 6.9274 6.9274 7.0907 7.0907 8.3485 8.3485 8.5086 8.5086 8.6260 8.6260 8.7798 8.7798 9.7635 9.7635 9.8217 9.8217 k = 0.0000 0.0000 0.5777 ( 2744 PWs) bands (ev): -33.7722 -33.7722 -33.6552 -33.6552 -15.1526 -15.1526 -14.9769 -14.9769 -13.6736 -13.6736 -13.4892 -13.4892 -12.9111 -12.9111 -12.8004 -12.8004 2.9609 2.9609 3.8528 3.8528 6.9171 6.9171 7.0841 7.0841 8.3778 8.3778 8.4999 8.4999 8.6819 8.6819 8.8240 8.8240 9.7472 9.7472 9.8255 9.8255 k = 0.0000 0.0000 0.5584 ( 2744 PWs) bands (ev): -33.7816 -33.7816 -33.6457 -33.6457 -15.1639 -15.1639 -14.9594 -14.9594 -13.6890 -13.6890 -13.4740 -13.4740 -12.9232 -12.9232 -12.7946 -12.7946 2.8830 2.8830 3.9131 3.9131 6.9121 6.9121 7.0705 7.0705 8.4194 8.4194 8.4946 8.4946 8.7383 8.7383 8.8711 8.8711 9.7284 9.7284 9.8309 9.8309 k = 0.0000 0.0000 0.5392 ( 2748 PWs) bands (ev): -33.7909 -33.7909 -33.6363 -33.6363 -15.1747 -15.1747 -14.9416 -14.9416 -13.7043 -13.7043 -13.4588 -13.4588 -12.9355 -12.9355 -12.7893 -12.7893 2.8059 2.8059 3.9696 3.9696 6.9130 6.9130 7.0506 7.0506 8.4694 8.4694 8.4959 8.4959 8.7941 8.7941 8.9211 8.9211 9.7073 9.7073 9.8385 9.8385 k = 0.0000 0.0000 0.5199 ( 2744 PWs) bands (ev): -33.8000 -33.8000 -33.6270 -33.6270 -15.1848 -15.1848 -14.9235 -14.9235 -13.7196 -13.7196 -13.4438 -13.4438 -12.9481 -12.9481 -12.7845 -12.7845 2.7297 2.7297 4.0221 4.0221 6.9203 6.9203 7.0254 7.0254 8.4887 8.4887 8.5414 8.5414 8.8482 8.8482 8.9739 8.9739 9.6839 9.6839 9.8486 9.8486 k = 0.0000 0.0000 0.5007 ( 2748 PWs) bands (ev): -33.8089 -33.8089 -33.6179 -33.6179 -15.1945 -15.1945 -14.9051 -14.9051 -13.7348 -13.7348 -13.4288 -13.4288 -12.9610 -12.9610 -12.7803 -12.7803 2.6548 2.6548 4.0703 4.0703 6.9341 6.9341 6.9961 6.9961 8.4939 8.4939 8.6132 8.6132 8.8998 8.8998 9.0294 9.0294 9.6589 9.6589 9.8613 9.8613 k = 0.0000 0.0000 0.4814 ( 2742 PWs) bands (ev): -33.8177 -33.8177 -33.6089 -33.6089 -15.2035 -15.2035 -14.8865 -14.8865 -13.7501 -13.7501 -13.4140 -13.4140 -12.9740 -12.9740 -12.7766 -12.7766 2.5813 2.5813 4.1142 4.1142 6.9532 6.9532 6.9649 6.9649 8.5014 8.5014 8.6932 8.6932 8.9483 8.9483 9.0875 9.0875 9.6328 9.6328 9.8763 9.8763 k = 0.0000 0.0000 0.4621 ( 2742 PWs) bands (ev): -33.8262 -33.8262 -33.6002 -33.6002 -15.2120 -15.2120 -14.8676 -14.8676 -13.7652 -13.7652 -13.3994 -13.3994 -12.9871 -12.9871 -12.7734 -12.7734 2.5093 2.5093 4.1536 4.1536 6.9277 6.9277 6.9827 6.9827 8.5119 8.5119 8.7790 8.7790 8.9931 8.9931 9.1481 9.1481 9.6064 9.6064 9.8932 9.8932 k = 0.0000 0.0000 0.4429 ( 2742 PWs) bands (ev): -33.8345 -33.8345 -33.5916 -33.5916 -15.2200 -15.2200 -14.8487 -14.8487 -13.7804 -13.7804 -13.3848 -13.3848 -13.0003 -13.0003 -12.7707 -12.7707 2.4391 2.4391 4.1888 4.1888 6.8914 6.8914 7.0165 7.0165 8.5257 8.5257 8.8683 8.8683 9.0338 9.0338 9.2112 9.2112 9.5812 9.5812 9.9107 9.9107 k = 0.0000 0.0000 0.4236 ( 2740 PWs) bands (ev): -33.8426 -33.8426 -33.5833 -33.5833 -15.2274 -15.2274 -14.8296 -14.8296 -13.7955 -13.7955 -13.3705 -13.3705 -13.0136 -13.0136 -12.7685 -12.7685 2.3708 2.3708 4.2197 4.2197 6.8541 6.8541 7.0567 7.0567 8.5426 8.5426 8.9582 8.9582 9.0703 9.0703 9.2767 9.2767 9.5594 9.5594 9.9274 9.9274 k = 0.0000 0.0000 0.4044 ( 2746 PWs) bands (ev): -33.8505 -33.8505 -33.5753 -33.5753 -15.2344 -15.2344 -14.8104 -14.8104 -13.8106 -13.8106 -13.3564 -13.3564 -13.0268 -13.0268 -12.7669 -12.7669 2.3045 2.3045 4.2467 4.2467 6.8165 6.8165 7.1029 7.1029 8.5628 8.5628 9.0444 9.0444 9.1026 9.1026 9.3443 9.3443 9.5450 9.5450 9.9415 9.9415 k = 0.0000 0.0000 0.3851 ( 2740 PWs) bands (ev): -33.8580 -33.8580 -33.5674 -33.5674 -15.2408 -15.2408 -14.7911 -14.7911 -13.8256 -13.8256 -13.3425 -13.3425 -13.0399 -13.0399 -12.7656 -12.7656 2.2404 2.2404 4.2699 4.2699 6.7790 6.7790 7.1545 7.1545 8.5862 8.5862 9.1192 9.1192 9.1311 9.1311 9.4136 9.4136 9.5454 9.5454 9.9512 9.9512 k = 0.0000 0.0000 0.3659 ( 2736 PWs) bands (ev): -33.8653 -33.8653 -33.5599 -33.5599 -15.2467 -15.2467 -14.7719 -14.7719 -13.8405 -13.8405 -13.3289 -13.3289 -13.0529 -13.0529 -12.7648 -12.7648 2.1787 2.1787 4.2897 4.2897 6.7421 6.7421 7.2111 7.2111 8.6127 8.6127 9.1547 9.1547 9.1733 9.1733 9.4841 9.4841 9.5706 9.5706 9.9554 9.9554 k = 0.0000 0.0000 0.3466 ( 2736 PWs) bands (ev): -33.8723 -33.8723 -33.5526 -33.5526 -15.2522 -15.2522 -14.7528 -14.7528 -13.8553 -13.8553 -13.3155 -13.3155 -13.0656 -13.0656 -12.7644 -12.7644 2.1194 2.1194 4.3063 4.3063 6.7061 6.7061 7.2720 7.2720 8.6424 8.6424 9.1749 9.1749 9.1987 9.1987 9.5561 9.5561 9.6267 9.6267 9.9536 9.9536 k = 0.0000 0.0000 0.3274 ( 2736 PWs) bands (ev): -33.8790 -33.8790 -33.5457 -33.5457 -15.2572 -15.2572 -14.7337 -14.7337 -13.8701 -13.8701 -13.3026 -13.3026 -13.0781 -13.0781 -12.7644 -12.7644 2.0626 2.0626 4.3202 4.3202 6.6711 6.6711 7.3366 7.3366 8.6753 8.6753 9.1898 9.1898 9.2010 9.2010 9.6306 9.6306 9.7079 9.7079 9.9467 9.9467 k = 0.0000 0.0000 0.3081 ( 2737 PWs) bands (ev): -33.8854 -33.8854 -33.5391 -33.5391 -15.2617 -15.2617 -14.7149 -14.7149 -13.8847 -13.8847 -13.2899 -13.2899 -13.0902 -13.0902 -12.7648 -12.7648 2.0085 2.0085 4.3316 4.3316 6.6375 6.6375 7.4043 7.4043 8.7112 8.7112 9.1847 9.1847 9.2038 9.2038 9.7071 9.7071 9.8049 9.8049 9.9367 9.9367 k = 0.0000 0.0000 0.2888 ( 2737 PWs) bands (ev): -33.8915 -33.8915 -33.5328 -33.5328 -15.2659 -15.2659 -14.6962 -14.6962 -13.8991 -13.8991 -13.2777 -13.2777 -13.1019 -13.1019 -12.7655 -12.7655 1.9571 1.9571 4.3409 4.3409 6.6053 6.6053 7.4746 7.4746 8.7503 8.7503 9.1638 9.1638 9.2092 9.2092 9.7844 9.7844 9.9109 9.9109 9.9263 9.9263 k = 0.0000 0.0000 0.2696 ( 2739 PWs) bands (ev): -33.8972 -33.8972 -33.5268 -33.5268 -15.2696 -15.2696 -14.6779 -14.6779 -13.9134 -13.9134 -13.2660 -13.2660 -13.1132 -13.1132 -12.7664 -12.7664 1.9087 1.9087 4.3484 4.3484 6.5747 6.5747 7.5466 7.5466 8.7923 8.7923 9.1387 9.1387 9.2086 9.2086 9.8612 9.8612 9.9190 9.9190 10.0216 10.0216 k = 0.0000 0.0000 0.2503 ( 2739 PWs) bands (ev): -33.9026 -33.9026 -33.5212 -33.5212 -15.2730 -15.2730 -14.6600 -14.6600 -13.9274 -13.9274 -13.2548 -13.2548 -13.1239 -13.1239 -12.7676 -12.7676 1.8631 1.8631 4.3543 4.3543 6.5459 6.5459 7.6200 7.6200 8.8374 8.8374 9.1120 9.1120 9.2008 9.2008 9.9092 9.9092 9.9450 9.9450 10.1343 10.1343 k = 0.0000 0.0000 0.2311 ( 2739 PWs) bands (ev): -33.9076 -33.9076 -33.5160 -33.5160 -15.2760 -15.2760 -14.6425 -14.6425 -13.9411 -13.9411 -13.2441 -13.2441 -13.1340 -13.1340 -12.7691 -12.7691 1.8207 1.8207 4.3589 4.3589 6.5189 6.5189 7.6941 7.6941 8.8853 8.8853 9.0851 9.0851 9.1852 9.1852 9.9142 9.9142 10.0201 10.0201 10.2469 10.2469 k = 0.0000 0.0000 0.2118 ( 2735 PWs) bands (ev): -33.9122 -33.9122 -33.5112 -33.5112 -15.2787 -15.2787 -14.6256 -14.6256 -13.9544 -13.9544 -13.2342 -13.2342 -13.1434 -13.1434 -12.7706 -12.7706 1.7813 1.7813 4.3625 4.3625 6.4938 6.4938 7.7685 7.7685 8.9360 8.9360 9.0588 9.0588 9.1617 9.1617 9.9246 9.9246 10.0962 10.0962 10.3579 10.3579 k = 0.0000 0.0000 0.1926 ( 2735 PWs) bands (ev): -33.9165 -33.9165 -33.5067 -33.5067 -15.2810 -15.2810 -14.6094 -14.6094 -13.9672 -13.9672 -13.2250 -13.2250 -13.1520 -13.1520 -12.7723 -12.7723 1.7451 1.7451 4.3652 4.3652 6.4707 6.4707 7.8428 7.8428 8.9891 8.9891 9.0338 9.0338 9.1309 9.1309 9.9423 9.9423 10.1708 10.1708 10.4659 10.4659 k = 0.0000 0.0000 0.1733 ( 2735 PWs) bands (ev): -33.9204 -33.9204 -33.5026 -33.5026 -15.2831 -15.2831 -14.5940 -14.5940 -13.9795 -13.9795 -13.2167 -13.2167 -13.1597 -13.1597 -12.7741 -12.7741 1.7121 1.7121 4.3673 4.3673 6.4497 6.4497 7.9165 7.9165 9.0097 9.0097 9.0438 9.0438 9.0954 9.0954 9.9666 9.9666 10.2431 10.2431 10.5376 10.5376 k = 0.0000 0.0000 0.1540 ( 2721 PWs) bands (ev): -33.9239 -33.9239 -33.4989 -33.4989 -15.2849 -15.2849 -14.5796 -14.5796 -13.9911 -13.9911 -13.2096 -13.2096 -13.1662 -13.1662 -12.7758 -12.7758 1.6825 1.6825 4.3688 4.3688 6.4307 6.4307 7.9894 7.9894 8.9882 8.9882 9.0457 9.0457 9.1091 9.1091 9.9963 9.9963 10.3115 10.3115 10.4412 10.4412 k = 0.0000 0.0000 0.1348 ( 2721 PWs) bands (ev): -33.9270 -33.9270 -33.4957 -33.4957 -15.2865 -15.2865 -14.5663 -14.5663 -14.0019 -14.0019 -13.2040 -13.2040 -13.1711 -13.1711 -12.7775 -12.7775 1.6562 1.6562 4.3698 4.3698 6.4139 6.4139 8.0611 8.0611 8.9687 8.9687 8.9998 8.9998 9.1688 9.1688 10.0298 10.0298 10.3389 10.3389 10.3826 10.3826 k = 0.0000 0.0000 0.1155 ( 2725 PWs) bands (ev): -33.9297 -33.9297 -33.4928 -33.4928 -15.2878 -15.2878 -14.5542 -14.5542 -14.0118 -14.0118 -13.2006 -13.2006 -13.1739 -13.1739 -12.7791 -12.7791 1.6333 1.6333 4.3706 4.3706 6.3993 6.3993 8.1313 8.1313 8.9492 8.9492 8.9515 8.9515 9.2322 9.2322 10.0651 10.0651 10.2487 10.2487 10.4385 10.4385 k = 0.0000 0.0000 0.0963 ( 2723 PWs) bands (ev): -33.9319 -33.9319 -33.4905 -33.4905 -15.2888 -15.2888 -14.5436 -14.5436 -14.0205 -14.0205 -13.1997 -13.1997 -13.1742 -13.1742 -12.7806 -12.7806 1.6139 1.6139 4.3710 4.3710 6.3869 6.3869 8.1995 8.1995 8.8964 8.8964 8.9365 8.9365 9.2977 9.2977 10.0997 10.0997 10.1586 10.1586 10.4913 10.4913 k = 0.0000 0.0000 0.0770 ( 2723 PWs) bands (ev): -33.9338 -33.9338 -33.4885 -33.4885 -15.2897 -15.2897 -14.5345 -14.5345 -14.0279 -14.0279 -13.2006 -13.2006 -13.1728 -13.1728 -12.7819 -12.7819 1.5980 1.5980 4.3714 4.3714 6.3767 6.3767 8.2652 8.2652 8.8426 8.8426 8.9243 8.9243 9.3646 9.3646 10.0685 10.0685 10.1352 10.1352 10.5368 10.5368 k = 0.0000 0.0000 0.0578 ( 2723 PWs) bands (ev): -33.9353 -33.9353 -33.4870 -33.4870 -15.2904 -15.2904 -14.5273 -14.5273 -14.0339 -14.0339 -13.2022 -13.2022 -13.1708 -13.1708 -12.7829 -12.7829 1.5855 1.5855 4.3716 4.3716 6.3688 6.3688 8.3270 8.3270 8.7894 8.7894 8.9146 8.9146 9.4316 9.4316 9.9858 9.9858 10.1633 10.1633 10.5736 10.5736 k = 0.0000 0.0000 0.0385 ( 2719 PWs) bands (ev): -33.9363 -33.9363 -33.4858 -33.4858 -15.2908 -15.2908 -14.5220 -14.5220 -14.0383 -14.0383 -13.2037 -13.2037 -13.1690 -13.1690 -12.7837 -12.7837 1.5767 1.5767 4.3717 4.3717 6.3631 6.3631 8.3824 8.3824 8.7400 8.7400 8.9077 8.9077 9.4958 9.4958 9.9100 9.9100 10.1855 10.1855 10.6007 10.6007 k = 0.0000 0.0000 0.0193 ( 2723 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2911 -15.2911 -14.5188 -14.5188 -14.0410 -14.0410 -13.2046 -13.2046 -13.1678 -13.1678 -12.7842 -12.7842 1.5713 1.5713 4.3717 4.3717 6.3597 6.3597 8.4250 8.4250 8.7009 8.7009 8.9035 8.9035 9.5494 9.5494 9.8494 9.8494 10.1997 10.1997 10.6174 10.6174 k = 0.0000 0.0000 0.0000 ( 2727 PWs) bands (ev): -33.9372 -33.9372 -33.4850 -33.4850 -15.2912 -15.2912 -14.5177 -14.5177 -14.0419 -14.0419 -13.2050 -13.2050 -13.1674 -13.1674 -12.7843 -12.7843 1.5695 1.5695 4.3718 4.3718 6.3585 6.3585 8.4423 8.4423 8.6849 8.6849 8.9021 8.9021 9.5729 9.5729 9.8235 9.8235 10.2046 10.2046 10.6230 10.6230 k = 0.0000 0.0000 0.0000 ( 2727 PWs) bands (ev): -33.9372 -33.9372 -33.4850 -33.4850 -15.2912 -15.2912 -14.5177 -14.5177 -14.0419 -14.0419 -13.2050 -13.2050 -13.1674 -13.1674 -12.7843 -12.7843 1.5695 1.5695 4.3718 4.3718 6.3585 6.3585 8.4423 8.4423 8.6849 8.6849 8.9021 8.9021 9.5729 9.5729 9.8235 9.8235 10.2046 10.2046 10.6230 10.6230 k =-0.0179 0.0060 0.0000 ( 2715 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2912 -15.2912 -14.5177 -14.5177 -14.0419 -14.0419 -13.2050 -13.2050 -13.1674 -13.1674 -12.7843 -12.7843 1.5712 1.5712 4.3690 4.3690 6.3583 6.3583 8.4433 8.4433 8.6843 8.6843 8.9039 8.9039 9.5745 9.5745 9.8233 9.8233 10.2034 10.2035 10.6233 10.6233 k =-0.0357 0.0120-0.0000 ( 2723 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2911 -15.2911 -14.5178 -14.5178 -14.0418 -14.0418 -13.2051 -13.2051 -13.1674 -13.1674 -12.7844 -12.7844 1.5763 1.5763 4.3607 4.3607 6.3575 6.3575 8.4463 8.4463 8.6820 8.6820 8.9099 8.9099 9.5790 9.5790 9.8226 9.8226 10.2001 10.2001 10.6243 10.6243 k =-0.0536 0.0181-0.0000 ( 2721 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2911 -15.2911 -14.5179 -14.5179 -14.0417 -14.0417 -13.2053 -13.2053 -13.1673 -13.1673 -12.7845 -12.7845 1.5848 1.5848 4.3469 4.3469 6.3565 6.3565 8.4515 8.4515 8.6771 8.6771 8.9210 8.9210 9.5866 9.5866 9.8214 9.8214 10.1944 10.1944 10.6261 10.6261 k =-0.0714 0.0241-0.0000 ( 2709 PWs) bands (ev): -33.9371 -33.9371 -33.4849 -33.4849 -15.2910 -15.2910 -14.5180 -14.5180 -14.0416 -14.0416 -13.2055 -13.2055 -13.1673 -13.1673 -12.7846 -12.7846 1.5967 1.5967 4.3277 4.3277 6.3554 6.3554 8.4586 8.4586 8.6684 8.6684 8.9385 8.9385 9.5971 9.5971 9.8198 9.8198 10.1866 10.1866 10.6285 10.6285 k =-0.0893 0.0301 0.0000 ( 2711 PWs) bands (ev): -33.9371 -33.9371 -33.4849 -33.4849 -15.2910 -15.2910 -14.5181 -14.5181 -14.0414 -14.0414 -13.2057 -13.2057 -13.1672 -13.1672 -12.7848 -12.7848 1.6119 1.6119 4.3030 4.3030 6.3546 6.3546 8.4677 8.4677 8.6550 8.6550 8.9629 8.9629 9.6107 9.6107 9.8178 9.8178 10.1764 10.1764 10.6315 10.6315 k =-0.1071 0.0361-0.0000 ( 2711 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2909 -15.2909 -14.5183 -14.5183 -14.0412 -14.0412 -13.2061 -13.2061 -13.1671 -13.1671 -12.7850 -12.7850 1.6305 1.6305 4.2729 4.2729 6.3544 6.3544 8.4788 8.4788 8.6368 8.6368 8.9944 8.9944 9.6273 9.6273 9.8155 9.8155 10.1640 10.1640 10.6351 10.6351 k =-0.1250 0.0421 0.0000 ( 2715 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2907 -15.2907 -14.5185 -14.5185 -14.0409 -14.0409 -13.2064 -13.2064 -13.1670 -13.1670 -12.7852 -12.7852 1.6524 1.6524 4.2376 4.2376 6.3552 6.3552 8.4918 8.4918 8.6144 8.6144 9.0325 9.0325 9.6469 9.6469 9.8127 9.8127 10.1494 10.1494 10.6393 10.6393 k =-0.1429 0.0482-0.0000 ( 2719 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2906 -15.2906 -14.5187 -14.5187 -14.0406 -14.0406 -13.2068 -13.2068 -13.1668 -13.1668 -12.7854 -12.7854 1.6776 1.6776 4.1972 4.1972 6.3573 6.3573 8.5066 8.5066 8.5882 8.5882 9.0764 9.0764 9.6694 9.6694 9.8097 9.8097 10.1325 10.1325 10.6440 10.6440 k =-0.1607 0.0542-0.0000 ( 2725 PWs) bands (ev): -33.9371 -33.9371 -33.4850 -33.4850 -15.2905 -15.2905 -14.5189 -14.5189 -14.0403 -14.0403 -13.2073 -13.2073 -13.1667 -13.1667 -12.7857 -12.7857 1.7060 1.7060 4.1519 4.1519 6.3610 6.3610 8.5228 8.5228 8.5596 8.5596 9.1253 9.1253 9.6948 9.6948 9.8064 9.8064 10.1134 10.1134 10.6491 10.6491 k =-0.1786 0.0602 0.0000 ( 2725 PWs) bands (ev): -33.9371 -33.9371 -33.4851 -33.4851 -15.2903 -15.2903 -14.5192 -14.5192 -14.0399 -14.0399 -13.2077 -13.2077 -13.1665 -13.1665 -12.7860 -12.7860 1.7376 1.7376 4.1019 4.1019 6.3665 6.3665 8.5248 8.5248 8.5445 8.5445 9.1782 9.1782 9.7232 9.7232 9.8029 9.8029 10.0921 10.0921 10.6547 10.6547 k =-0.1964 0.0662-0.0000 ( 2726 PWs) bands (ev): -33.9371 -33.9371 -33.4851 -33.4851 -15.2902 -15.2902 -14.5194 -14.5194 -14.0396 -14.0396 -13.2082 -13.2082 -13.1664 -13.1664 -12.7863 -12.7863 1.7724 1.7724 4.0476 4.0476 6.3740 6.3740 8.4931 8.4931 8.5632 8.5632 9.2342 9.2342 9.7544 9.7544 9.7994 9.7994 10.0688 10.0688 10.6605 10.6605 k =-0.2143 0.0722 0.0000 ( 2726 PWs) bands (ev): -33.9371 -33.9371 -33.4851 -33.4851 -15.2900 -15.2900 -14.5197 -14.5197 -14.0392 -14.0392 -13.2088 -13.2088 -13.1662 -13.1662 -12.7866 -12.7866 1.8103 1.8103 3.9891 3.9891 6.3835 6.3835 8.4590 8.4590 8.5848 8.5848 9.2926 9.2926 9.7873 9.7873 9.7968 9.7968 10.0434 10.0434 10.6666 10.6666 k =-0.2321 0.0783 0.0000 ( 2720 PWs) bands (ev): -33.9370 -33.9370 -33.4851 -33.4851 -15.2899 -15.2899 -14.5200 -14.5200 -14.0388 -14.0388 -13.2093 -13.2093 -13.1661 -13.1661 -12.7869 -12.7869 1.8512 1.8512 3.9269 3.9269 6.3949 6.3949 8.4242 8.4242 8.6080 8.6080 9.3526 9.3526 9.7911 9.7911 9.8260 9.8260 10.0163 10.0163 10.6728 10.6728 k =-0.2500 0.0843 0.0000 ( 2720 PWs) bands (ev): -33.9370 -33.9370 -33.4851 -33.4851 -15.2897 -15.2897 -14.5203 -14.5203 -14.0384 -14.0384 -13.2098 -13.2098 -13.1659 -13.1659 -12.7873 -12.7873 1.8951 1.8951 3.8614 3.8614 6.4083 6.4083 8.3892 8.3892 8.6327 8.6327 9.4133 9.4133 9.7875 9.7875 9.8652 9.8652 9.9876 9.9876 10.6790 10.6790 k =-0.2679 0.0903-0.0000 ( 2722 PWs) bands (ev): -33.9370 -33.9370 -33.4851 -33.4851 -15.2895 -15.2895 -14.5205 -14.5205 -14.0380 -14.0380 -13.2103 -13.2103 -13.1658 -13.1658 -12.7876 -12.7876 1.9419 1.9419 3.7928 3.7928 6.4233 6.4233 8.3545 8.3545 8.6585 8.6585 9.4740 9.4740 9.7838 9.7838 9.9061 9.9061 9.9585 9.9585 10.6848 10.6848 k =-0.2857 0.0963 0.0000 ( 2718 PWs) bands (ev): -33.9370 -33.9370 -33.4851 -33.4851 -15.2894 -15.2894 -14.5208 -14.5208 -14.0376 -14.0376 -13.2108 -13.2108 -13.1656 -13.1656 -12.7879 -12.7879 1.9915 1.9915 3.7217 3.7217 6.4398 6.4398 8.3204 8.3204 8.6855 8.6855 9.5339 9.5339 9.7803 9.7803 9.9203 9.9203 9.9576 9.9576 10.6876 10.6876 k =-0.3036 0.1023 0.0000 ( 2720 PWs) bands (ev): -33.9370 -33.9370 -33.4852 -33.4852 -15.2892 -15.2892 -14.5211 -14.5211 -14.0372 -14.0372 -13.2113 -13.2113 -13.1655 -13.1655 -12.7882 -12.7882 2.0439 2.0439 3.6483 3.6483 6.4575 6.4575 8.2872 8.2872 8.7133 8.7133 9.5922 9.5922 9.7772 9.7772 9.8902 9.8902 10.0025 10.0025 10.6442 10.6442 k =-0.3214 0.1084-0.0000 ( 2720 PWs) bands (ev): -33.9370 -33.9370 -33.4852 -33.4852 -15.2890 -15.2890 -14.5214 -14.5214 -14.0369 -14.0369 -13.2118 -13.2118 -13.1653 -13.1653 -12.7886 -12.7886 2.0989 2.0989 3.5732 3.5732 6.4759 6.4759 8.2554 8.2554 8.7416 8.7416 9.6478 9.6478 9.7748 9.7748 9.8574 9.8574 10.0520 10.0520 10.5675 10.5675 k =-0.3393 0.1144-0.0000 ( 2712 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2889 -15.2889 -14.5216 -14.5216 -14.0365 -14.0365 -13.2123 -13.2123 -13.1652 -13.1652 -12.7888 -12.7888 2.1564 2.1564 3.4965 3.4965 6.4947 6.4947 8.2252 8.2252 8.7702 8.7702 9.6987 9.6987 9.7741 9.7741 9.8247 9.8247 10.1038 10.1038 10.4940 10.4940 k =-0.3571 0.1204 0.0000 ( 2716 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2887 -15.2887 -14.5218 -14.5218 -14.0362 -14.0362 -13.2127 -13.2127 -13.1651 -13.1651 -12.7891 -12.7891 2.2163 2.2163 3.4189 3.4189 6.5135 6.5135 8.1970 8.1970 8.7987 8.7987 9.7376 9.7376 9.7766 9.7766 9.7978 9.7978 10.1577 10.1577 10.4260 10.4260 k =-0.3750 0.1264 0.0000 ( 2710 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2886 -15.2886 -14.5220 -14.5220 -14.0359 -14.0359 -13.2131 -13.2131 -13.1650 -13.1650 -12.7893 -12.7893 2.2785 2.2785 3.3405 3.3405 6.5317 6.5317 8.1710 8.1710 8.8266 8.8266 9.7516 9.7516 9.7549 9.7549 9.8175 9.8175 10.2129 10.2129 10.3644 10.3644 k =-0.3929 0.1324-0.0000 ( 2708 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2885 -15.2885 -14.5222 -14.5222 -14.0357 -14.0357 -13.2134 -13.2134 -13.1649 -13.1649 -12.7896 -12.7896 2.3426 2.3426 3.2619 3.2619 6.5489 6.5489 8.1476 8.1476 8.8534 8.8534 9.7247 9.7247 9.7535 9.7535 9.8552 9.8552 10.2673 10.2673 10.3112 10.3112 k =-0.4107 0.1384 0.0000 ( 2712 PWs) bands (ev): -33.9369 -33.9369 -33.4852 -33.4852 -15.2884 -15.2884 -14.5224 -14.5224 -14.0354 -14.0354 -13.2137 -13.2137 -13.1648 -13.1648 -12.7898 -12.7898 2.4086 2.4086 3.1834 3.1834 6.5645 6.5645 8.1271 8.1271 8.8784 8.8784 9.6963 9.6963 9.7529 9.7529 9.8917 9.8917 10.2580 10.2580 10.3287 10.3287 k =-0.4286 0.1445 0.0000 ( 2708 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2883 -15.2883 -14.5225 -14.5225 -14.0352 -14.0352 -13.2140 -13.2140 -13.1647 -13.1647 -12.7899 -12.7899 2.4758 2.4758 3.1057 3.1057 6.5780 6.5780 8.1098 8.1098 8.9007 8.9007 9.6709 9.6709 9.7518 9.7518 9.9240 9.9240 10.2177 10.2177 10.3832 10.3832 k =-0.4464 0.1505-0.0000 ( 2708 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2883 -15.2883 -14.5226 -14.5226 -14.0351 -14.0351 -13.2142 -13.2142 -13.1647 -13.1647 -12.7900 -12.7900 2.5437 2.5437 3.0295 3.0295 6.5891 6.5891 8.0959 8.0959 8.9194 8.9194 9.6496 9.6496 9.7508 9.7508 9.9513 9.9513 10.1840 10.1840 10.4350 10.4350 k =-0.4643 0.1565 0.0000 ( 2712 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5227 -14.5227 -14.0350 -14.0350 -13.2143 -13.2143 -13.1647 -13.1647 -12.7901 -12.7901 2.6104 2.6104 2.9569 2.9569 6.5973 6.5973 8.0859 8.0859 8.9338 8.9338 9.6334 9.6334 9.7500 9.7500 9.9726 9.9726 10.1582 10.1582 10.4798 10.4798 k =-0.4821 0.1625 0.0000 ( 2708 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5228 -14.5228 -14.0349 -14.0349 -13.2144 -13.2144 -13.1646 -13.1646 -12.7902 -12.7902 2.6700 2.6700 2.8937 2.8937 6.6024 6.6024 8.0798 8.0798 8.9428 8.9428 9.6232 9.6232 9.7495 9.7495 9.9867 9.9867 10.1415 10.1415 10.5117 10.5117 k =-0.5000 0.1685 0.0000 ( 2706 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5228 -14.5228 -14.0349 -14.0349 -13.2144 -13.2144 -13.1646 -13.1646 -12.7902 -12.7902 2.6997 2.6997 2.8628 2.8628 6.6041 6.6041 8.0777 8.0777 8.9458 8.9458 9.6198 9.6198 9.7493 9.7493 9.9917 9.9917 10.1356 10.1356 10.5235 10.5235 k =-0.5000 0.1685 0.0000 ( 2706 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5228 -14.5228 -14.0349 -14.0349 -13.2144 -13.2144 -13.1646 -13.1646 -12.7902 -12.7902 2.6997 2.6997 2.8628 2.8628 6.6041 6.6041 8.0777 8.0777 8.9458 8.9458 9.6198 9.6198 9.7493 9.7493 9.9917 9.9917 10.1356 10.1356 10.5235 10.5235 k =-0.4938 0.1868-0.0000 ( 2706 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5229 -14.5229 -14.0349 -14.0349 -13.2145 -13.2145 -13.1648 -13.1648 -12.7902 -12.7902 2.7009 2.7009 2.8647 2.8647 6.6050 6.6050 8.0765 8.0765 8.9464 8.9464 9.6178 9.6178 9.7347 9.7347 9.9926 9.9926 10.1198 10.1198 10.5268 10.5268 k =-0.4877 0.2051-0.0000 ( 2706 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5232 -14.5232 -14.0348 -14.0348 -13.2149 -13.2149 -13.1653 -13.1653 -12.7902 -12.7902 2.7044 2.7044 2.8705 2.8705 6.6078 6.6078 8.0728 8.0728 8.9481 8.9481 9.6084 9.6084 9.6978 9.6978 9.9953 9.9953 10.0767 10.0767 10.5333 10.5333 k =-0.4815 0.2233-0.0000 ( 2706 PWs) bands (ev): -33.9367 -33.9367 -33.4851 -33.4851 -15.2881 -15.2881 -14.5237 -14.5237 -14.0347 -14.0347 -13.2155 -13.2155 -13.1661 -13.1661 -12.7901 -12.7901 2.7103 2.7103 2.8801 2.8801 6.6124 6.6124 8.0663 8.0663 8.9509 8.9509 9.5739 9.5739 9.6635 9.6635 9.9963 9.9963 10.0171 10.0171 10.5363 10.5363 k =-0.4754 0.2416-0.0000 ( 2710 PWs) bands (ev): -33.9366 -33.9366 -33.4851 -33.4851 -15.2881 -15.2881 -14.5245 -14.5245 -14.0346 -14.0346 -13.2164 -13.2164 -13.1673 -13.1673 -12.7901 -12.7901 2.7186 2.7186 2.8935 2.8935 6.6188 6.6188 8.0567 8.0567 8.9548 8.9548 9.5029 9.5029 9.6507 9.6507 9.9353 9.9353 10.0077 10.0077 10.5317 10.5317 k =-0.4692 0.2598-0.0000 ( 2710 PWs) bands (ev): -33.9365 -33.9365 -33.4850 -33.4850 -15.2880 -15.2880 -14.5254 -14.5254 -14.0344 -14.0344 -13.2175 -13.2175 -13.1688 -13.1688 -12.7900 -12.7900 2.7292 2.7292 2.9108 2.9108 6.6269 6.6269 8.0434 8.0434 8.9598 8.9598 9.4130 9.4130 9.6478 9.6478 9.8520 9.8520 10.0121 10.0121 10.5185 10.5185 k =-0.4631 0.2781-0.0000 ( 2718 PWs) bands (ev): -33.9364 -33.9364 -33.4849 -33.4849 -15.2880 -15.2880 -14.5265 -14.5265 -14.0342 -14.0342 -13.2188 -13.2188 -13.1706 -13.1706 -12.7899 -12.7899 2.7421 2.7421 2.9317 2.9317 6.6369 6.6369 8.0257 8.0257 8.9659 8.9659 9.3149 9.3149 9.6479 9.6479 9.7643 9.7643 10.0135 10.0135 10.4978 10.4978 k =-0.4569 0.2964-0.0000 ( 2716 PWs) bands (ev): -33.9362 -33.9362 -33.4848 -33.4848 -15.2879 -15.2879 -14.5278 -14.5278 -14.0340 -14.0340 -13.2204 -13.2204 -13.1727 -13.1727 -12.7898 -12.7898 2.7574 2.7574 2.9564 2.9564 6.6485 6.6485 8.0027 8.0027 8.9730 8.9730 9.2129 9.2129 9.6484 9.6484 9.6759 9.6759 10.0085 10.0085 10.4719 10.4719 k =-0.4508 0.3146-0.0000 ( 2714 PWs) bands (ev): -33.9360 -33.9360 -33.4846 -33.4846 -15.2878 -15.2878 -14.5293 -14.5293 -14.0337 -14.0337 -13.2222 -13.2222 -13.1752 -13.1752 -12.7897 -12.7897 2.7751 2.7751 2.9847 2.9847 6.6618 6.6618 7.9735 7.9735 8.9812 8.9812 9.1094 9.1094 9.5845 9.5845 9.6530 9.6530 9.9930 9.9930 10.4430 10.4430 k =-0.4446 0.3329-0.0000 ( 2714 PWs) bands (ev): -33.9358 -33.9358 -33.4844 -33.4844 -15.2877 -15.2877 -14.5310 -14.5310 -14.0334 -14.0334 -13.2241 -13.2241 -13.1778 -13.1778 -12.7896 -12.7896 2.7950 2.7950 3.0166 3.0166 6.6767 6.6767 7.9371 7.9371 8.9889 8.9889 9.0071 9.0071 9.4976 9.4976 9.6558 9.6558 9.9642 9.9642 10.4132 10.4132 k =-0.4384 0.3511-0.0000 ( 2718 PWs) bands (ev): -33.9356 -33.9356 -33.4842 -33.4842 -15.2876 -15.2876 -14.5329 -14.5329 -14.0331 -14.0331 -13.2263 -13.2263 -13.1808 -13.1808 -12.7894 -12.7894 2.8173 2.8173 3.0520 3.0520 6.6931 6.6931 7.8928 7.8928 8.9017 8.9017 9.0014 9.0014 9.4137 9.4137 9.6592 9.6592 9.9209 9.9209 10.3839 10.3839 k =-0.4323 0.3694-0.0000 ( 2714 PWs) bands (ev): -33.9353 -33.9353 -33.4840 -33.4840 -15.2875 -15.2875 -14.5349 -14.5349 -14.0328 -14.0328 -13.2286 -13.2286 -13.1839 -13.1839 -12.7892 -12.7892 2.8418 2.8418 3.0909 3.0909 6.7110 6.7110 7.8397 7.8397 8.7999 8.7999 9.0126 9.0126 9.3337 9.3337 9.6630 9.6630 9.8646 9.8646 10.3568 10.3568 k =-0.4261 0.3877-0.0000 ( 2714 PWs) bands (ev): -33.9351 -33.9351 -33.4838 -33.4838 -15.2874 -15.2874 -14.5370 -14.5370 -14.0324 -14.0324 -13.2310 -13.2310 -13.1873 -13.1873 -12.7890 -12.7890 2.8686 2.8686 3.1331 3.1331 6.7302 6.7302 7.7776 7.7776 8.6998 8.6998 9.0249 9.0249 9.2582 9.2582 9.6671 9.6671 9.7976 9.7976 10.3333 10.3333 k =-0.4200 0.4059-0.0000 ( 2706 PWs) bands (ev): -33.9348 -33.9348 -33.4835 -33.4835 -15.2873 -15.2873 -14.5393 -14.5393 -14.0320 -14.0320 -13.2336 -13.2336 -13.1909 -13.1909 -12.7888 -12.7888 2.8976 2.8976 3.1785 3.1785 6.7506 6.7506 7.7062 7.7062 8.6017 8.6017 9.0382 9.0382 9.1873 9.1873 9.6715 9.6715 9.7227 9.7227 10.3146 10.3146 k =-0.4138 0.4242-0.0000 ( 2718 PWs) bands (ev): -33.9345 -33.9345 -33.4833 -33.4833 -15.2872 -15.2872 -14.5418 -14.5418 -14.0316 -14.0316 -13.2363 -13.2363 -13.1946 -13.1946 -12.7886 -12.7886 2.9289 2.9289 3.2271 3.2271 6.7720 6.7720 7.6259 7.6259 8.5059 8.5059 9.0524 9.0524 9.1205 9.1205 9.6423 9.6423 9.6759 9.6759 10.3019 10.3019 k =-0.4077 0.4424-0.0000 ( 2718 PWs) bands (ev): -33.9342 -33.9342 -33.4831 -33.4831 -15.2870 -15.2870 -14.5443 -14.5443 -14.0312 -14.0312 -13.2391 -13.2391 -13.1985 -13.1985 -12.7883 -12.7883 2.9624 2.9624 3.2787 3.2787 6.7944 6.7944 7.5374 7.5374 8.4127 8.4127 9.0571 9.0571 9.0677 9.0677 9.5583 9.5583 9.6804 9.6804 10.2960 10.2960 k =-0.4015 0.4607-0.0000 ( 2722 PWs) bands (ev): -33.9339 -33.9339 -33.4828 -33.4828 -15.2869 -15.2869 -14.5470 -14.5470 -14.0307 -14.0307 -13.2419 -13.2419 -13.2026 -13.2026 -12.7880 -12.7880 2.9981 2.9981 3.3332 3.3332 6.8174 6.8174 7.4413 7.4413 8.3222 8.3222 8.9968 8.9968 9.0837 9.0837 9.4721 9.4721 9.6850 9.6850 10.2975 10.2975 k =-0.3954 0.4790-0.0000 ( 2728 PWs) bands (ev): -33.9336 -33.9336 -33.4826 -33.4826 -15.2868 -15.2868 -14.5497 -14.5497 -14.0303 -14.0303 -13.2449 -13.2449 -13.2067 -13.2067 -12.7877 -12.7877 3.0359 3.0359 3.3904 3.3904 6.8408 6.8408 7.3388 7.3388 8.2345 8.2345 8.9386 8.9386 9.1006 9.1006 9.3850 9.3850 9.6895 9.6895 10.3068 10.3068 k =-0.3892 0.4972-0.0000 ( 2730 PWs) bands (ev): -33.9332 -33.9332 -33.4823 -33.4823 -15.2867 -15.2867 -14.5525 -14.5525 -14.0299 -14.0299 -13.2478 -13.2478 -13.2109 -13.2109 -12.7874 -12.7874 3.0759 3.0759 3.4502 3.4502 6.8644 6.8644 7.2309 7.2309 8.1498 8.1498 8.8818 8.8818 9.1183 9.1183 9.2981 9.2981 9.6938 9.6938 10.3240 10.3240 k =-0.3830 0.5155-0.0000 ( 2732 PWs) bands (ev): -33.9329 -33.9329 -33.4820 -33.4820 -15.2865 -15.2865 -14.5553 -14.5553 -14.0294 -14.0294 -13.2508 -13.2508 -13.2152 -13.2152 -12.7871 -12.7871 3.1179 3.1179 3.5125 3.5125 6.8878 6.8878 7.1186 7.1186 8.0681 8.0681 8.8260 8.8260 9.1367 9.1367 9.2124 9.2124 9.6979 9.6979 10.3490 10.3490 k =-0.3769 0.5337-0.0000 ( 2740 PWs) bands (ev): -33.9326 -33.9326 -33.4818 -33.4818 -15.2864 -15.2864 -14.5582 -14.5582 -14.0290 -14.0290 -13.2538 -13.2538 -13.2195 -13.2195 -12.7868 -12.7868 3.1620 3.1620 3.5770 3.5770 6.9102 6.9102 7.0033 7.0033 7.9896 7.9896 8.7708 8.7708 9.1276 9.1276 9.1570 9.1570 9.7018 9.7018 10.3814 10.3814 k =-0.3707 0.5520-0.0000 ( 2740 PWs) bands (ev): -33.9322 -33.9322 -33.4815 -33.4815 -15.2863 -15.2863 -14.5611 -14.5611 -14.0285 -14.0285 -13.2567 -13.2567 -13.2238 -13.2238 -12.7864 -12.7864 3.2081 3.2081 3.6434 3.6434 6.8823 6.8823 6.9348 6.9348 7.9142 7.9142 8.7161 8.7161 9.0471 9.0471 9.1767 9.1767 9.7053 9.7053 10.4210 10.4210 k =-0.3646 0.5703-0.0000 ( 2734 PWs) bands (ev): -33.9319 -33.9319 -33.4812 -33.4812 -15.2862 -15.2862 -14.5640 -14.5640 -14.0281 -14.0281 -13.2596 -13.2596 -13.2280 -13.2280 -12.7861 -12.7861 3.2562 3.2562 3.7116 3.7116 6.7635 6.7635 6.9539 6.9539 7.8422 7.8422 8.6617 8.6617 8.9699 8.9699 9.1975 9.1975 9.7083 9.7083 10.4670 10.4670 k =-0.3584 0.5885-0.0000 ( 2732 PWs) bands (ev): -33.9315 -33.9315 -33.4809 -33.4809 -15.2861 -15.2861 -14.5669 -14.5669 -14.0277 -14.0277 -13.2625 -13.2625 -13.2322 -13.2322 -12.7857 -12.7857 3.3063 3.3063 3.7813 3.7813 6.6428 6.6428 6.9720 6.9720 7.7735 7.7735 8.6079 8.6079 8.8972 8.8972 9.2191 9.2191 9.7109 9.7109 10.5188 10.5188 k =-0.3523 0.6068-0.0000 ( 2743 PWs) bands (ev): -33.9313 -33.9313 -33.4806 -33.4806 -15.2860 -15.2860 -14.5698 -14.5698 -14.0273 -14.0273 -13.2652 -13.2652 -13.2364 -13.2364 -12.7854 -12.7854 3.3582 3.3582 3.8520 3.8520 6.5218 6.5218 6.9873 6.9873 7.7081 7.7081 8.5546 8.5546 8.8300 8.8300 9.2414 9.2414 9.7128 9.7128 10.5758 10.5758 k =-0.3461 0.6250-0.0000 ( 2747 PWs) bands (ev): -33.9310 -33.9310 -33.4803 -33.4803 -15.2859 -15.2859 -14.5726 -14.5726 -14.0269 -14.0269 -13.2679 -13.2679 -13.2404 -13.2404 -12.7850 -12.7850 3.4120 3.4120 3.9233 3.9233 6.4015 6.4015 6.9992 6.9992 7.6462 7.6462 8.5019 8.5019 8.7692 8.7692 9.2644 9.2644 9.7141 9.7141 10.6372 10.6372 k =-0.3400 0.6433-0.0000 ( 2747 PWs) bands (ev): -33.9307 -33.9307 -33.4801 -33.4801 -15.2858 -15.2858 -14.5753 -14.5753 -14.0265 -14.0265 -13.2705 -13.2705 -13.2443 -13.2443 -12.7846 -12.7846 3.4675 3.4675 3.9946 3.9946 6.2826 6.2826 7.0068 7.0068 7.5878 7.5878 8.4502 8.4502 8.7158 8.7158 9.2881 9.2881 9.7146 9.7146 10.7021 10.7021 k =-0.3338 0.6616-0.0000 ( 2747 PWs) bands (ev): -33.9304 -33.9304 -33.4798 -33.4798 -15.2857 -15.2857 -14.5779 -14.5779 -14.0261 -14.0261 -13.2730 -13.2730 -13.2481 -13.2481 -12.7843 -12.7843 3.5248 3.5248 4.0653 4.0653 6.1662 6.1662 7.0094 7.0094 7.5328 7.5328 8.3994 8.3994 8.6706 8.6706 9.3125 9.3125 9.7142 9.7142 10.7696 10.7696 k =-0.3277 0.6798-0.0000 ( 2751 PWs) bands (ev): -33.9301 -33.9301 -33.4796 -33.4796 -15.2856 -15.2856 -14.5805 -14.5805 -14.0258 -14.0258 -13.2753 -13.2753 -13.2517 -13.2517 -12.7839 -12.7839 3.5837 3.5837 4.1344 4.1344 6.0532 6.0532 7.0064 7.0064 7.4814 7.4814 8.3499 8.3499 8.6343 8.6343 9.3375 9.3375 9.7130 9.7130 10.8387 10.8387 k =-0.3215 0.6981-0.0000 ( 2755 PWs) bands (ev): -33.9298 -33.9298 -33.4793 -33.4793 -15.2856 -15.2856 -14.5829 -14.5829 -14.0255 -14.0255 -13.2775 -13.2775 -13.2552 -13.2552 -12.7835 -12.7835 3.6441 3.6441 4.2006 4.2006 5.9450 5.9450 6.9974 6.9974 7.4336 7.4336 8.3017 8.3017 8.6076 8.6076 9.3632 9.3632 9.7107 9.7107 10.9085 10.9085 k =-0.3153 0.7163-0.0000 ( 2747 PWs) bands (ev): -33.9296 -33.9296 -33.4791 -33.4791 -15.2855 -15.2855 -14.5851 -14.5851 -14.0252 -14.0252 -13.2795 -13.2795 -13.2584 -13.2584 -12.7832 -12.7832 3.7060 3.7060 4.2622 4.2622 5.8435 5.8435 6.9821 6.9821 7.3893 7.3893 8.2550 8.2550 8.5909 8.5909 9.3895 9.3895 9.7074 9.7074 10.9777 10.9777 k =-0.3092 0.7346-0.0000 ( 2743 PWs) bands (ev): -33.9293 -33.9293 -33.4789 -33.4789 -15.2855 -15.2855 -14.5873 -14.5873 -14.0250 -14.0250 -13.2813 -13.2813 -13.2614 -13.2614 -12.7828 -12.7828 3.7693 3.7693 4.3170 4.3170 5.7508 5.7508 6.9607 6.9607 7.3486 7.3486 8.2100 8.2100 8.5840 8.5840 9.4165 9.4165 9.7030 9.7030 11.0450 11.0450 k =-0.3030 0.7529-0.0000 ( 2743 PWs) bands (ev): -33.9291 -33.9291 -33.4787 -33.4787 -15.2854 -15.2854 -14.5892 -14.5892 -14.0248 -14.0248 -13.2830 -13.2830 -13.2642 -13.2642 -12.7825 -12.7825 3.8338 3.8338 4.3621 4.3621 5.6699 5.6699 6.9334 6.9334 7.3116 7.3116 8.1667 8.1667 8.5869 8.5869 9.4442 9.4442 9.6975 9.6975 11.1091 11.1091 k =-0.2969 0.7711-0.0000 ( 2731 PWs) bands (ev): -33.9289 -33.9289 -33.4785 -33.4785 -15.2854 -15.2854 -14.5910 -14.5910 -14.0246 -14.0246 -13.2844 -13.2844 -13.2667 -13.2667 -12.7822 -12.7822 3.8993 3.8993 4.3939 4.3939 5.6044 5.6044 6.9010 6.9010 7.2782 7.2782 8.1254 8.1254 8.5991 8.5991 9.4725 9.4725 9.6907 9.6907 11.1685 11.1685 k =-0.2907 0.7894-0.0000 ( 2727 PWs) bands (ev): -33.9287 -33.9287 -33.4783 -33.4783 -15.2854 -15.2854 -14.5925 -14.5925 -14.0245 -14.0245 -13.2857 -13.2857 -13.2689 -13.2689 -12.7819 -12.7819 3.9658 3.9658 4.4086 4.4086 5.5580 5.5580 6.8642 6.8642 7.2484 7.2484 8.0861 8.0861 8.6199 8.6199 9.5015 9.5015 9.6826 9.6826 11.2216 11.2216 k =-0.2846 0.8076-0.0000 ( 2727 PWs) bands (ev): -33.9285 -33.9285 -33.4782 -33.4782 -15.2854 -15.2854 -14.5939 -14.5939 -14.0244 -14.0244 -13.2868 -13.2868 -13.2709 -13.2709 -12.7817 -12.7817 4.0330 4.0330 4.4034 4.4034 5.5333 5.5333 6.8238 6.8238 7.2223 7.2223 8.0490 8.0490 8.6485 8.6485 9.5312 9.5312 9.6734 9.6734 11.2670 11.2670 k =-0.2784 0.8259-0.0000 ( 2723 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5950 -14.5950 -14.0243 -14.0243 -13.2877 -13.2877 -13.2726 -13.2726 -12.7814 -12.7814 4.1005 4.1005 4.3774 4.3774 5.5313 5.5313 6.7810 6.7810 7.1999 7.1999 8.0142 8.0142 8.6842 8.6842 9.5613 9.5613 9.6629 9.6629 11.3034 11.3034 k =-0.2784 0.8259-0.0000 ( 2723 PWs) bands (ev): -33.9284 -33.9284 -33.4780 -33.4780 -15.2854 -15.2854 -14.5950 -14.5950 -14.0243 -14.0243 -13.2877 -13.2877 -13.2726 -13.2726 -12.7814 -12.7814 4.1005 4.1005 4.3774 4.3774 5.5313 5.5313 6.7810 6.7810 7.1999 7.1999 8.0142 8.0142 8.6842 8.6842 9.5613 9.5613 9.6629 9.6629 11.3034 11.3034 k =-0.2784 0.8259 0.0193 ( 2725 PWs) bands (ev): -33.9282 -33.9282 -33.4783 -33.4783 -15.2853 -15.2853 -14.5957 -14.5957 -14.0238 -14.0238 -13.2871 -13.2871 -13.2730 -13.2730 -12.7813 -12.7813 4.1006 4.1006 4.3774 4.3774 5.5334 5.5334 6.7790 6.7790 7.1999 7.1999 8.0146 8.0146 8.6884 8.6884 9.5564 9.5564 9.6659 9.6659 11.3070 11.3070 k =-0.2784 0.8259 0.0385 ( 2729 PWs) bands (ev): -33.9276 -33.9276 -33.4789 -33.4789 -15.2850 -15.2850 -14.5980 -14.5980 -14.0224 -14.0224 -13.2857 -13.2857 -13.2742 -13.2742 -12.7809 -12.7809 4.1008 4.1008 4.3775 4.3775 5.5395 5.5395 6.7730 6.7730 7.1998 7.1998 8.0159 8.0159 8.7009 8.7009 9.5419 9.5419 9.6750 9.6750 11.3178 11.3178 k =-0.2784 0.8259 0.0578 ( 2729 PWs) bands (ev): -33.9265 -33.9265 -33.4800 -33.4800 -15.2846 -15.2846 -14.6017 -14.6017 -14.0201 -14.0201 -13.2838 -13.2838 -13.2754 -13.2754 -12.7804 -12.7804 4.1012 4.1012 4.3776 4.3776 5.5496 5.5496 6.7630 6.7630 7.2001 7.2001 8.0180 8.0180 8.7213 8.7213 9.5180 9.5180 9.6900 9.6900 11.3349 11.3349 k =-0.2784 0.8259 0.0770 ( 2733 PWs) bands (ev): -33.9251 -33.9251 -33.4816 -33.4816 -15.2840 -15.2840 -14.6068 -14.6068 -14.0170 -14.0170 -13.2839 -13.2839 -13.2746 -13.2746 -12.7796 -12.7796 4.1017 4.1017 4.3776 4.3776 5.5638 5.5638 6.7495 6.7495 7.2009 7.2009 8.0209 8.0209 8.7488 8.7488 9.4854 9.4854 9.7110 9.7110 11.3571 11.3571 k =-0.2784 0.8259 0.0963 ( 2739 PWs) bands (ev): -33.9232 -33.9232 -33.4836 -33.4836 -15.2832 -15.2832 -14.6133 -14.6133 -14.0130 -14.0130 -13.2871 -13.2871 -13.2704 -13.2704 -12.7787 -12.7787 4.1024 4.1024 4.3777 4.3777 5.5820 5.5820 6.7325 6.7325 7.2027 7.2027 8.0248 8.0248 8.7828 8.7828 9.4451 9.4451 9.7378 9.7378 11.3825 11.3825 k =-0.2784 0.8259 0.1155 ( 2732 PWs) bands (ev): -33.9209 -33.9209 -33.4860 -33.4860 -15.2821 -15.2821 -14.6210 -14.6210 -14.0081 -14.0081 -13.2920 -13.2920 -13.2643 -13.2643 -12.7776 -12.7776 4.1032 4.1032 4.3777 4.3777 5.6040 5.6040 6.7126 6.7126 7.2059 7.2059 8.0296 8.0296 8.8222 8.8222 9.3980 9.3980 9.7702 9.7702 11.4072 11.4072 k =-0.2784 0.8259 0.1348 ( 2732 PWs) bands (ev): -33.9182 -33.9182 -33.4888 -33.4888 -15.2809 -15.2809 -14.6300 -14.6300 -14.0026 -14.0026 -13.2979 -13.2979 -13.2568 -13.2568 -12.7764 -12.7764 4.1042 4.1042 4.3776 4.3776 5.6300 5.6300 6.6903 6.6903 7.2107 7.2107 8.0353 8.0353 8.8659 8.8659 9.3450 9.3450 9.8078 9.8078 11.4208 11.4208 k =-0.2784 0.8259 0.1540 ( 2732 PWs) bands (ev): -33.9151 -33.9151 -33.4920 -33.4920 -15.2794 -15.2794 -14.6401 -14.6401 -13.9964 -13.9964 -13.3048 -13.3048 -13.2483 -13.2483 -12.7752 -12.7752 4.1054 4.1054 4.3773 4.3773 5.6598 5.6598 6.6662 6.6662 7.2173 7.2173 8.0420 8.0420 8.9129 8.9129 9.2870 9.2870 9.8502 9.8502 11.3986 11.3986 k =-0.2784 0.8259 0.1733 ( 2732 PWs) bands (ev): -33.9117 -33.9117 -33.4957 -33.4957 -15.2777 -15.2777 -14.6512 -14.6512 -13.9895 -13.9895 -13.3125 -13.3125 -13.2388 -13.2388 -12.7739 -12.7739 4.1067 4.1067 4.3769 4.3769 5.6932 5.6932 6.6408 6.6408 7.2260 7.2260 8.0496 8.0496 8.9622 8.9622 9.2250 9.2250 9.8971 9.8971 11.3297 11.3297 k =-0.2784 0.8259 0.1926 ( 2732 PWs) bands (ev): -33.9078 -33.9078 -33.4997 -33.4997 -15.2757 -15.2757 -14.6632 -14.6632 -13.9820 -13.9820 -13.3210 -13.3210 -13.2284 -13.2284 -12.7727 -12.7727 4.1083 4.1083 4.3763 4.3763 5.7303 5.7303 6.6147 6.6147 7.2368 7.2368 8.0582 8.0582 9.0124 9.0124 9.1599 9.1599 9.9479 9.9479 11.2395 11.2395 k =-0.2784 0.8259 0.2118 ( 2730 PWs) bands (ev): -33.9035 -33.9035 -33.5041 -33.5041 -15.2734 -15.2734 -14.6761 -14.6761 -13.9740 -13.9740 -13.3301 -13.3301 -13.2171 -13.2171 -12.7715 -12.7715 4.1101 4.1101 4.3754 4.3754 5.7707 5.7707 6.5886 6.5886 7.2498 7.2498 8.0676 8.0676 9.0625 9.0625 9.0926 9.0926 10.0021 10.0021 11.1433 11.1433 k =-0.2784 0.8259 0.2311 ( 2734 PWs) bands (ev): -33.8989 -33.8989 -33.5090 -33.5090 -15.2709 -15.2709 -14.6898 -14.6898 -13.9654 -13.9654 -13.3399 -13.3399 -13.2051 -13.2051 -12.7705 -12.7705 4.1121 4.1121 4.3742 4.3742 5.8145 5.8145 6.5629 6.5629 7.2650 7.2650 8.0778 8.0778 9.0235 9.0235 9.1117 9.1117 10.0589 10.0589 11.0460 11.0460 k =-0.2784 0.8259 0.2503 ( 2732 PWs) bands (ev): -33.8939 -33.8939 -33.5142 -33.5142 -15.2680 -15.2680 -14.7041 -14.7041 -13.9564 -13.9564 -13.3503 -13.3503 -13.1924 -13.1924 -12.7696 -12.7696 4.1143 4.1143 4.3727 4.3727 5.8614 5.8614 6.5381 6.5381 7.2823 7.2823 8.0883 8.0883 8.9542 8.9542 9.1582 9.1582 10.1176 10.1176 10.9493 10.9493 k =-0.2784 0.8259 0.2696 ( 2730 PWs) bands (ev): -33.8886 -33.8886 -33.5197 -33.5197 -15.2648 -15.2648 -14.7191 -14.7191 -13.9470 -13.9470 -13.3613 -13.3613 -13.1791 -13.1791 -12.7690 -12.7690 4.1167 4.1167 4.3708 4.3708 5.9111 5.9111 6.5147 6.5147 7.3019 7.3019 8.0989 8.0989 8.8854 8.8854 9.2010 9.2010 10.1775 10.1775 10.8540 10.8540 k =-0.2784 0.8259 0.2888 ( 2734 PWs) bands (ev): -33.8829 -33.8829 -33.5257 -33.5257 -15.2612 -15.2612 -14.7345 -14.7345 -13.9371 -13.9371 -13.3727 -13.3727 -13.1652 -13.1652 -12.7686 -12.7686 4.1194 4.1194 4.3685 4.3685 5.9636 5.9636 6.4930 6.4930 7.3235 7.3235 8.1086 8.1086 8.8186 8.8186 9.2387 9.2387 10.2377 10.2377 10.7607 10.7607 k =-0.2784 0.8259 0.3081 ( 2727 PWs) bands (ev): -33.8769 -33.8769 -33.5319 -33.5319 -15.2572 -15.2572 -14.7504 -14.7504 -13.9269 -13.9269 -13.3846 -13.3846 -13.1509 -13.1509 -12.7685 -12.7685 4.1223 4.1223 4.3658 4.3658 6.0184 6.0184 6.4735 6.4735 7.3473 7.3473 8.1165 8.1165 8.7553 8.7553 9.2702 9.2702 10.2975 10.2975 10.6696 10.6696 k =-0.2784 0.8259 0.3274 ( 2729 PWs) bands (ev): -33.8705 -33.8705 -33.5385 -33.5385 -15.2528 -15.2528 -14.7667 -14.7667 -13.9163 -13.9163 -13.3969 -13.3969 -13.1362 -13.1362 -12.7687 -12.7687 4.1255 4.1255 4.3627 4.3627 6.0753 6.0753 6.4562 6.4562 7.3730 7.3730 8.1207 8.1207 8.6980 8.6980 9.2942 9.2942 10.3560 10.3560 10.5810 10.5810 k =-0.2784 0.8259 0.3466 ( 2725 PWs) bands (ev): -33.8638 -33.8638 -33.5454 -33.5454 -15.2481 -15.2481 -14.7833 -14.7833 -13.9054 -13.9054 -13.4096 -13.4096 -13.1212 -13.1212 -12.7693 -12.7693 4.1289 4.1289 4.3590 4.3590 6.1340 6.1340 6.4416 6.4416 7.4006 7.4006 8.1190 8.1190 8.6493 8.6493 9.3095 9.3095 10.4119 10.4119 10.4959 10.4959 k =-0.2784 0.8259 0.3659 ( 2722 PWs) bands (ev): -33.8569 -33.8569 -33.5526 -33.5526 -15.2428 -15.2428 -14.8002 -14.8002 -13.8942 -13.8942 -13.4226 -13.4226 -13.1060 -13.1060 -12.7702 -12.7702 4.1326 4.1326 4.3550 4.3550 6.1939 6.1939 6.4299 6.4299 7.4299 7.4299 8.1089 8.1089 8.6124 8.6124 9.3155 9.3155 10.4069 10.4069 10.4723 10.4723 k =-0.2784 0.8259 0.3851 ( 2714 PWs) bands (ev): -33.8496 -33.8496 -33.5601 -33.5601 -15.2372 -15.2372 -14.8172 -14.8172 -13.8827 -13.8827 -13.4359 -13.4359 -13.0905 -13.0905 -12.7716 -12.7716 4.1366 4.1366 4.3504 4.3504 6.2547 6.2547 6.4211 6.4211 7.4608 7.4608 8.0884 8.0884 8.5896 8.5896 9.3117 9.3117 10.3279 10.3279 10.5231 10.5231 k =-0.2784 0.8259 0.4044 ( 2711 PWs) bands (ev): -33.8420 -33.8420 -33.5679 -33.5679 -15.2310 -15.2310 -14.8344 -14.8344 -13.8708 -13.8708 -13.4495 -13.4495 -13.0750 -13.0750 -12.7735 -12.7735 4.1408 4.1408 4.3454 4.3454 6.3155 6.3155 6.4158 6.4158 7.4931 7.4931 8.0573 8.0573 8.5816 8.5816 9.2983 9.2983 10.2505 10.2505 10.5724 10.5724 k =-0.2784 0.8259 0.4236 ( 2707 PWs) bands (ev): -33.8342 -33.8342 -33.5759 -33.5759 -15.2244 -15.2244 -14.8516 -14.8516 -13.8588 -13.8588 -13.4633 -13.4633 -13.0595 -13.0595 -12.7759 -12.7759 4.1453 4.1453 4.3400 4.3400 6.3748 6.3748 6.4148 6.4148 7.5265 7.5265 8.0175 8.0175 8.5868 8.5868 9.2758 9.2758 10.1762 10.1762 10.6178 10.6178 k =-0.2784 0.8259 0.4429 ( 2709 PWs) bands (ev): -33.8261 -33.8261 -33.5842 -33.5842 -15.2173 -15.2173 -14.8689 -14.8689 -13.8464 -13.8464 -13.4774 -13.4774 -13.0440 -13.0440 -12.7787 -12.7787 4.1501 4.1501 4.3341 4.3341 6.4092 6.4092 6.4410 6.4410 7.5607 7.5607 7.9720 7.9720 8.6028 8.6028 9.2453 9.2453 10.1059 10.1059 10.6576 10.6576 k =-0.2784 0.8259 0.4621 ( 2713 PWs) bands (ev): -33.8179 -33.8179 -33.5927 -33.5927 -15.2096 -15.2096 -14.8862 -14.8862 -13.8338 -13.8338 -13.4916 -13.4916 -13.0286 -13.0286 -12.7821 -12.7821 4.1552 4.1552 4.3279 4.3279 6.4154 6.4154 6.4967 6.4967 7.5952 7.5952 7.9240 7.9240 8.6266 8.6266 9.2080 9.2080 10.0403 10.0403 10.6889 10.6889 k =-0.2784 0.8259 0.4814 ( 2715 PWs) bands (ev): -33.8094 -33.8094 -33.6014 -33.6014 -15.2015 -15.2015 -14.9034 -14.9034 -13.8210 -13.8210 -13.5060 -13.5060 -13.0133 -13.0133 -12.7860 -12.7860 4.1605 4.1605 4.3213 4.3213 6.4231 6.4231 6.5512 6.5512 7.6297 7.6297 7.8764 7.8764 8.6555 8.6555 9.1656 9.1656 9.9801 9.9801 10.7081 10.7081 k =-0.2784 0.8259 0.5007 ( 2715 PWs) bands (ev): -33.8006 -33.8006 -33.6103 -33.6103 -15.1929 -15.1929 -14.9205 -14.9205 -13.8080 -13.8080 -13.5205 -13.5205 -12.9982 -12.9982 -12.7905 -12.7905 4.1660 4.1660 4.3143 4.3143 6.4338 6.4338 6.6018 6.6018 7.6634 7.6634 7.8316 7.8316 8.6873 8.6873 9.1198 9.1198 9.9267 9.9267 10.7112 10.7112 k =-0.2784 0.8259 0.5199 ( 2713 PWs) bands (ev): -33.7917 -33.7917 -33.6194 -33.6194 -15.1837 -15.1837 -14.9375 -14.9375 -13.7947 -13.7947 -13.5351 -13.5351 -12.9834 -12.9834 -12.7955 -12.7955 4.1719 4.1719 4.3071 4.3071 6.4475 6.4475 6.6468 6.6468 7.6957 7.6957 7.7919 7.7919 8.7198 8.7198 9.0723 9.0723 9.8814 9.8814 10.6952 10.6952 k =-0.2784 0.8259 0.5392 ( 2713 PWs) bands (ev): -33.7827 -33.7827 -33.6287 -33.6287 -15.1740 -15.1740 -14.9542 -14.9542 -13.7812 -13.7812 -13.5498 -13.5498 -12.9689 -12.9689 -12.8012 -12.8012 4.1779 4.1779 4.2997 4.2997 6.4643 6.4643 6.6848 6.6848 7.7249 7.7249 7.7599 7.7599 8.7506 8.7506 9.0248 9.0248 9.8461 9.8461 10.6595 10.6595 k =-0.2784 0.8259 0.5584 ( 2716 PWs) bands (ev): -33.7734 -33.7734 -33.6380 -33.6380 -15.1637 -15.1637 -14.9708 -14.9708 -13.7676 -13.7676 -13.5645 -13.5645 -12.9547 -12.9547 -12.8074 -12.8074 4.1843 4.1843 4.2920 4.2920 6.4839 6.4839 6.7142 6.7142 7.7314 7.7314 7.7558 7.7558 8.7778 8.7778 8.9793 8.9793 9.8226 9.8226 10.6065 10.6065 k =-0.2784 0.8259 0.5777 ( 2718 PWs) bands (ev): -33.7641 -33.7641 -33.6475 -33.6475 -15.1530 -15.1530 -14.9871 -14.9871 -13.7538 -13.7538 -13.5793 -13.5793 -12.9409 -12.9409 -12.8142 -12.8142 4.1908 4.1908 4.2842 4.2842 6.5061 6.5061 6.7340 6.7340 7.7178 7.7178 7.7771 7.7771 8.7995 8.7995 8.9374 8.9374 9.8129 9.8129 10.5400 10.5400 k =-0.2784 0.8259 0.5969 ( 2718 PWs) bands (ev): -33.7546 -33.7546 -33.6571 -33.6571 -15.1417 -15.1417 -15.0031 -15.0031 -13.7398 -13.7398 -13.5941 -13.5941 -12.9275 -12.9275 -12.8216 -12.8216 4.1976 4.1976 4.2763 4.2763 6.5306 6.5306 6.7436 6.7436 7.7128 7.7128 7.7941 7.7941 8.8142 8.8142 8.9010 8.9010 9.8181 9.8181 10.4641 10.4641 k =-0.2784 0.8259 0.6162 ( 2723 PWs) bands (ev): -33.7450 -33.7450 -33.6668 -33.6668 -15.1299 -15.1299 -15.0188 -15.0188 -13.7257 -13.7257 -13.6090 -13.6090 -12.9145 -12.9145 -12.8296 -12.8296 4.2045 4.2045 4.2684 4.2684 6.5570 6.5570 6.7435 6.7435 7.7166 7.7166 7.8049 7.8049 8.8215 8.8215 8.8717 8.8717 9.8389 9.8389 10.3825 10.3825 k =-0.2784 0.8259 0.6354 ( 2725 PWs) bands (ev): -33.7354 -33.7354 -33.6766 -33.6766 -15.1176 -15.1176 -15.0342 -15.0342 -13.7114 -13.7114 -13.6238 -13.6238 -12.9020 -12.9020 -12.8383 -12.8383 4.2116 4.2116 4.2606 4.2606 6.5849 6.5849 6.7346 6.7346 7.7276 7.7276 7.8088 7.8088 8.8218 8.8218 8.8509 8.8509 9.8747 9.8747 10.2983 10.2983 k =-0.2784 0.8259 0.6547 ( 2735 PWs) bands (ev): -33.7257 -33.7257 -33.6864 -33.6864 -15.1049 -15.1049 -15.0492 -15.0492 -13.6970 -13.6970 -13.6386 -13.6386 -12.8900 -12.8900 -12.8475 -12.8475 4.2186 4.2186 4.2530 4.2530 6.6134 6.6134 6.7185 6.7185 7.7436 7.7436 7.8057 7.8057 8.8173 8.8173 8.8386 8.8386 9.9241 9.9241 10.2141 10.2141 k =-0.2784 0.8259 0.6740 ( 2734 PWs) bands (ev): -33.7159 -33.7159 -33.6962 -33.6962 -15.0916 -15.0916 -15.0637 -15.0637 -13.6826 -13.6826 -13.6533 -13.6533 -12.8785 -12.8785 -12.8572 -12.8572 4.2252 4.2252 4.2461 4.2461 6.6415 6.6415 6.6975 6.6975 7.7614 7.7614 7.7965 7.7965 8.8127 8.8127 8.8322 8.8322 9.9848 9.9848 10.1325 10.1325 k =-0.2784 0.8259 0.6932 ( 2736 PWs) bands (ev): -33.7061 -33.7061 -33.7061 -33.7061 -15.0782 -15.0782 -15.0776 -15.0776 -13.6687 -13.6687 -13.6672 -13.6672 -12.8680 -12.8680 -12.8673 -12.8673 4.2287 4.2287 4.2425 4.2425 6.6620 6.6620 6.6792 6.6792 7.7740 7.7740 7.7869 7.7869 8.8111 8.8111 8.8301 8.8301 10.0497 10.0497 10.0607 10.0607 k =-0.2784 0.8259 0.6932 ( 2736 PWs) bands (ev): -33.7061 -33.7061 -33.7061 -33.7061 -15.0782 -15.0782 -15.0776 -15.0776 -13.6687 -13.6687 -13.6672 -13.6672 -12.8680 -12.8680 -12.8673 -12.8673 4.2287 4.2287 4.2425 4.2425 6.6620 6.6620 6.6792 6.6792 7.7740 7.7740 7.7869 7.7869 8.8111 8.8111 8.8301 8.8301 10.0497 10.0497 10.0607 10.0607 k =-0.2846 0.8076 0.6932 ( 2732 PWs) bands (ev): -33.7062 -33.7062 -33.7062 -33.7062 -15.0783 -15.0783 -15.0775 -15.0775 -13.6678 -13.6678 -13.6655 -13.6655 -12.8678 -12.8678 -12.8666 -12.8666 4.2263 4.2263 4.2409 4.2409 6.6658 6.6658 6.6856 6.6856 7.7497 7.7497 7.7599 7.7599 8.8213 8.8213 8.8401 8.8401 10.0469 10.0469 10.0577 10.0577 k =-0.2907 0.7894 0.6932 ( 2730 PWs) bands (ev): -33.7063 -33.7063 -33.7063 -33.7063 -15.0784 -15.0784 -15.0775 -15.0775 -13.6666 -13.6666 -13.6636 -13.6636 -12.8676 -12.8676 -12.8658 -12.8658 4.2229 4.2229 4.2382 4.2382 6.6635 6.6635 6.6855 6.6855 7.7336 7.7336 7.7415 7.7415 8.8321 8.8321 8.8509 8.8509 10.0438 10.0438 10.0541 10.0541 k =-0.2969 0.7711 0.6932 ( 2730 PWs) bands (ev): -33.7065 -33.7065 -33.7065 -33.7065 -15.0785 -15.0785 -15.0774 -15.0774 -13.6651 -13.6651 -13.6615 -13.6615 -12.8674 -12.8674 -12.8650 -12.8650 4.2185 4.2185 4.2343 4.2343 6.6546 6.6546 6.6784 6.6784 7.7261 7.7261 7.7320 7.7320 8.8440 8.8440 8.8629 8.8629 10.0401 10.0401 10.0500 10.0500 k =-0.3030 0.7529 0.6932 ( 2728 PWs) bands (ev): -33.7066 -33.7066 -33.7066 -33.7066 -15.0786 -15.0786 -15.0773 -15.0773 -13.6634 -13.6634 -13.6591 -13.6591 -12.8671 -12.8671 -12.8642 -12.8642 4.2132 4.2132 4.2296 4.2296 6.6388 6.6388 6.6639 6.6639 7.7269 7.7269 7.7315 7.7315 8.8575 8.8575 8.8766 8.8766 10.0357 10.0357 10.0453 10.0453 k =-0.3092 0.7346 0.6932 ( 2736 PWs) bands (ev): -33.7069 -33.7069 -33.7069 -33.7069 -15.0787 -15.0787 -15.0772 -15.0772 -13.6615 -13.6615 -13.6566 -13.6566 -12.8667 -12.8667 -12.8633 -12.8633 4.2071 4.2071 4.2239 4.2239 6.6165 6.6165 6.6423 6.6423 7.7354 7.7354 7.7394 7.7394 8.8728 8.8728 8.8924 8.8924 10.0307 10.0307 10.0398 10.0398 k =-0.3153 0.7163 0.6932 ( 2728 PWs) bands (ev): -33.7071 -33.7071 -33.7071 -33.7071 -15.0788 -15.0788 -15.0771 -15.0771 -13.6594 -13.6594 -13.6539 -13.6539 -12.8662 -12.8662 -12.8624 -12.8624 4.2003 4.2003 4.2174 4.2174 6.5881 6.5881 6.6140 6.6140 7.7508 7.7508 7.7548 7.7548 8.8903 8.8903 8.9106 8.9106 10.0250 10.0250 10.0338 10.0338 k =-0.3215 0.6981 0.6932 ( 2728 PWs) bands (ev): -33.7073 -33.7073 -33.7073 -33.7073 -15.0788 -15.0788 -15.0771 -15.0771 -13.6571 -13.6571 -13.6510 -13.6510 -12.8657 -12.8657 -12.8615 -12.8615 4.1929 4.1929 4.2101 4.2101 6.5544 6.5544 6.5800 6.5800 7.7721 7.7721 7.7765 7.7765 8.9101 8.9101 8.9312 8.9312 10.0187 10.0187 10.0272 10.0272 k =-0.3277 0.6798 0.6932 ( 2724 PWs) bands (ev): -33.7075 -33.7075 -33.7075 -33.7075 -15.0789 -15.0789 -15.0770 -15.0770 -13.6546 -13.6546 -13.6480 -13.6480 -12.8651 -12.8651 -12.8605 -12.8605 4.1848 4.1848 4.2022 4.2022 6.5164 6.5164 6.5412 6.5412 7.7981 7.7981 7.8034 7.8034 8.9322 8.9322 8.9543 8.9543 10.0119 10.0119 10.0202 10.0202 k =-0.3338 0.6616 0.6932 ( 2724 PWs) bands (ev): -33.7078 -33.7078 -33.7078 -33.7078 -15.0789 -15.0789 -15.0769 -15.0769 -13.6519 -13.6519 -13.6448 -13.6448 -12.8645 -12.8645 -12.8595 -12.8595 4.1763 4.1763 4.1938 4.1938 6.4748 6.4748 6.4986 6.4986 7.8279 7.8279 7.8344 7.8344 8.9563 8.9563 8.9797 8.9797 10.0048 10.0048 10.0130 10.0130 k =-0.3400 0.6433 0.6932 ( 2720 PWs) bands (ev): -33.7081 -33.7081 -33.7081 -33.7081 -15.0790 -15.0790 -15.0768 -15.0768 -13.6491 -13.6491 -13.6415 -13.6415 -12.8638 -12.8638 -12.8585 -12.8585 4.1674 4.1674 4.1847 4.1847 6.4305 6.4305 6.4530 6.4530 7.8605 7.8605 7.8685 7.8685 8.9823 8.9823 9.0070 9.0070 9.9975 9.9975 10.0058 10.0058 k =-0.3461 0.6250 0.6932 ( 2720 PWs) bands (ev): -33.7083 -33.7083 -33.7083 -33.7083 -15.0790 -15.0790 -15.0768 -15.0768 -13.6461 -13.6461 -13.6382 -13.6382 -12.8630 -12.8630 -12.8574 -12.8574 4.1580 4.1580 4.1753 4.1753 6.3842 6.3842 6.4053 6.4053 7.8954 7.8954 7.9048 7.9048 9.0095 9.0095 9.0357 9.0357 9.9904 9.9904 9.9990 9.9990 k =-0.3523 0.6068 0.6932 ( 2716 PWs) bands (ev): -33.7086 -33.7086 -33.7086 -33.7086 -15.0790 -15.0790 -15.0767 -15.0767 -13.6430 -13.6430 -13.6348 -13.6348 -12.8622 -12.8622 -12.8564 -12.8564 4.1484 4.1484 4.1654 4.1654 6.3364 6.3364 6.3561 6.3561 7.9320 7.9320 7.9429 7.9429 9.0372 9.0372 9.0650 9.0650 9.9839 9.9839 9.9928 9.9928 k =-0.3584 0.5885 0.6932 ( 2708 PWs) bands (ev): -33.7089 -33.7089 -33.7089 -33.7089 -15.0791 -15.0791 -15.0767 -15.0767 -13.6398 -13.6398 -13.6313 -13.6313 -12.8614 -12.8614 -12.8553 -12.8553 4.1385 4.1385 4.1552 4.1552 6.2878 6.2878 6.3060 6.3060 7.9699 7.9699 7.9822 7.9822 9.0648 9.0648 9.0941 9.0941 9.9782 9.9782 9.9876 9.9876 k =-0.3646 0.5703 0.6932 ( 2702 PWs) bands (ev): -33.7092 -33.7092 -33.7092 -33.7092 -15.0791 -15.0791 -15.0767 -15.0767 -13.6365 -13.6365 -13.6278 -13.6278 -12.8605 -12.8605 -12.8542 -12.8542 4.1285 4.1285 4.1447 4.1447 6.2388 6.2388 6.2554 6.2554 8.0088 8.0088 8.0225 8.0225 9.0911 9.0911 9.1219 9.1219 9.9737 9.9737 9.9836 9.9836 k =-0.3707 0.5520 0.6932 ( 2710 PWs) bands (ev): -33.7095 -33.7095 -33.7095 -33.7095 -15.0791 -15.0791 -15.0767 -15.0767 -13.6332 -13.6332 -13.6243 -13.6243 -12.8595 -12.8595 -12.8531 -12.8531 4.1183 4.1183 4.1340 4.1340 6.1897 6.1897 6.2049 6.2049 8.0485 8.0485 8.0635 8.0635 9.1153 9.1153 9.1474 9.1474 9.9706 9.9706 9.9811 9.9811 k =-0.3769 0.5337 0.6932 ( 2722 PWs) bands (ev): -33.7099 -33.7099 -33.7099 -33.7099 -15.0791 -15.0791 -15.0766 -15.0766 -13.6298 -13.6298 -13.6209 -13.6209 -12.8585 -12.8585 -12.8520 -12.8520 4.1080 4.1080 4.1233 4.1233 6.1410 6.1410 6.1548 6.1548 8.0890 8.0890 8.1051 8.1051 9.1366 9.1366 9.1698 9.1698 9.9691 9.9691 9.9802 9.9802 k =-0.3830 0.5155 0.6932 ( 2718 PWs) bands (ev): -33.7102 -33.7102 -33.7102 -33.7102 -15.0791 -15.0791 -15.0766 -15.0766 -13.6264 -13.6264 -13.6174 -13.6174 -12.8575 -12.8575 -12.8510 -12.8510 4.0978 4.0978 4.1124 4.1124 6.0929 6.0929 6.1054 6.1054 8.1302 8.1302 8.1473 8.1473 9.1541 9.1541 9.1881 9.1881 9.9692 9.9692 9.9807 9.9807 k =-0.3892 0.4972 0.6932 ( 2718 PWs) bands (ev): -33.7105 -33.7105 -33.7105 -33.7105 -15.0791 -15.0791 -15.0767 -15.0767 -13.6230 -13.6230 -13.6141 -13.6141 -12.8564 -12.8564 -12.8499 -12.8499 4.0876 4.0876 4.1016 4.1016 6.0458 6.0458 6.0570 6.0570 8.1721 8.1721 8.1899 8.1899 9.1674 9.1674 9.2019 9.2019 9.9704 9.9704 9.9824 9.9824 k =-0.3954 0.4790 0.6932 ( 2722 PWs) bands (ev): -33.7108 -33.7108 -33.7108 -33.7108 -15.0790 -15.0790 -15.0767 -15.0767 -13.6196 -13.6196 -13.6108 -13.6108 -12.8553 -12.8553 -12.8489 -12.8489 4.0775 4.0775 4.0908 4.0908 5.9998 5.9998 6.0099 6.0099 8.2145 8.2145 8.2331 8.2331 9.1763 9.1763 9.2110 9.2110 9.9725 9.9725 9.9847 9.9847 k =-0.4015 0.4607 0.6932 ( 2722 PWs) bands (ev): -33.7111 -33.7111 -33.7111 -33.7111 -15.0790 -15.0790 -15.0767 -15.0767 -13.6162 -13.6162 -13.6076 -13.6076 -12.8542 -12.8542 -12.8479 -12.8479 4.0677 4.0677 4.0802 4.0802 5.9553 5.9553 5.9643 5.9643 8.2575 8.2575 8.2766 8.2766 9.1808 9.1808 9.2154 9.2154 9.9748 9.9748 9.9871 9.9871 k =-0.4077 0.4424 0.6932 ( 2718 PWs) bands (ev): -33.7114 -33.7114 -33.7114 -33.7114 -15.0790 -15.0790 -15.0768 -15.0768 -13.6130 -13.6130 -13.6045 -13.6045 -12.8531 -12.8531 -12.8469 -12.8469 4.0580 4.0580 4.0699 4.0699 5.9125 5.9125 5.9204 5.9204 8.3009 8.3009 8.3205 8.3205 9.1813 9.1813 9.2154 9.2154 9.9768 9.9768 9.9890 9.9890 k =-0.4138 0.4242 0.6932 ( 2712 PWs) bands (ev): -33.7116 -33.7116 -33.7116 -33.7116 -15.0790 -15.0790 -15.0768 -15.0768 -13.6098 -13.6098 -13.6016 -13.6016 -12.8520 -12.8520 -12.8459 -12.8459 4.0487 4.0487 4.0598 4.0598 5.8715 5.8715 5.8784 5.8784 8.3447 8.3447 8.3646 8.3646 9.1780 9.1780 9.2115 9.2115 9.9780 9.9780 9.9901 9.9901 k =-0.4200 0.4059 0.6932 ( 2716 PWs) bands (ev): -33.7119 -33.7119 -33.7119 -33.7119 -15.0790 -15.0790 -15.0769 -15.0769 -13.6067 -13.6067 -13.5988 -13.5988 -12.8509 -12.8509 -12.8451 -12.8451 4.0398 4.0398 4.0500 4.0500 5.8325 5.8325 5.8386 5.8386 8.3887 8.3887 8.4088 8.4088 9.1715 9.1715 9.2043 9.2043 9.9781 9.9781 9.9900 9.9900 k =-0.4261 0.3877 0.6932 ( 2724 PWs) bands (ev): -33.7122 -33.7122 -33.7122 -33.7122 -15.0789 -15.0789 -15.0770 -15.0770 -13.6037 -13.6037 -13.5962 -13.5962 -12.8498 -12.8498 -12.8442 -12.8442 4.0312 4.0312 4.0407 4.0407 5.7957 5.7957 5.8010 5.8010 8.4327 8.4327 8.4530 8.4530 9.1623 9.1623 9.1942 9.1942 9.9769 9.9769 9.9885 9.9885 k =-0.4323 0.3694 0.6932 ( 2732 PWs) bands (ev): -33.7125 -33.7125 -33.7124 -33.7124 -15.0789 -15.0789 -15.0771 -15.0771 -13.6008 -13.6008 -13.5938 -13.5938 -12.8487 -12.8487 -12.8435 -12.8435 4.0232 4.0232 4.0318 4.0318 5.7613 5.7613 5.7659 5.7659 8.4765 8.4765 8.4969 8.4969 9.1509 9.1509 9.1820 9.1820 9.9744 9.9744 9.9856 9.9856 k =-0.4384 0.3511 0.6932 ( 2716 PWs) bands (ev): -33.7126 -33.7126 -33.7126 -33.7126 -15.0788 -15.0788 -15.0771 -15.0771 -13.5981 -13.5981 -13.5915 -13.5915 -12.8477 -12.8477 -12.8428 -12.8428 4.0157 4.0157 4.0235 4.0235 5.7294 5.7294 5.7333 5.7333 8.5199 8.5199 8.5404 8.5404 9.1378 9.1378 9.1679 9.1679 9.9709 9.9709 9.9816 9.9816 k =-0.4446 0.3329 0.6932 ( 2712 PWs) bands (ev): -33.7128 -33.7128 -33.7128 -33.7128 -15.0788 -15.0788 -15.0772 -15.0772 -13.5956 -13.5956 -13.5895 -13.5895 -12.8467 -12.8467 -12.8422 -12.8422 4.0087 4.0087 4.0158 4.0158 5.7002 5.7002 5.7035 5.7035 8.5627 8.5627 8.5832 8.5832 9.1232 9.1232 9.1523 9.1523 9.9665 9.9665 9.9765 9.9765 k =-0.4508 0.3146 0.6932 ( 2716 PWs) bands (ev): -33.7130 -33.7130 -33.7130 -33.7130 -15.0787 -15.0787 -15.0773 -15.0773 -13.5933 -13.5933 -13.5877 -13.5877 -12.8457 -12.8457 -12.8416 -12.8416 4.0024 4.0024 4.0087 4.0087 5.6737 5.6737 5.6765 5.6765 8.6044 8.6044 8.6249 8.6249 9.1074 9.1074 9.1356 9.1356 9.9614 9.9614 9.9708 9.9708 k =-0.4569 0.2964 0.6932 ( 2720 PWs) bands (ev): -33.7132 -33.7132 -33.7132 -33.7132 -15.0787 -15.0787 -15.0774 -15.0774 -13.5911 -13.5911 -13.5862 -13.5862 -12.8448 -12.8448 -12.8412 -12.8412 3.9968 3.9968 4.0023 4.0023 5.6501 5.6501 5.6524 5.6524 8.6449 8.6449 8.6653 8.6653 9.0908 9.0908 9.1180 9.1180 9.9560 9.9560 9.9646 9.9646 k =-0.4631 0.2781 0.6932 ( 2716 PWs) bands (ev): -33.7133 -33.7133 -33.7133 -33.7133 -15.0786 -15.0786 -15.0775 -15.0775 -13.5892 -13.5892 -13.5849 -13.5849 -12.8440 -12.8440 -12.8408 -12.8408 3.9919 3.9919 3.9966 3.9966 5.6294 5.6294 5.6313 5.6313 8.6837 8.6837 8.7039 8.7039 9.0736 9.0736 9.0996 9.0996 9.9507 9.9507 9.9582 9.9582 k =-0.4692 0.2598 0.6932 ( 2708 PWs) bands (ev): -33.7134 -33.7134 -33.7134 -33.7134 -15.0786 -15.0786 -15.0776 -15.0776 -13.5874 -13.5874 -13.5838 -13.5838 -12.8432 -12.8432 -12.8405 -12.8405 3.9877 3.9877 3.9916 3.9916 5.6118 5.6118 5.6133 5.6133 8.7205 8.7205 8.7402 8.7402 9.0561 9.0561 9.0807 9.0807 9.9456 9.9456 9.9521 9.9521 k =-0.4754 0.2416 0.6932 ( 2708 PWs) bands (ev): -33.7136 -33.7136 -33.7136 -33.7136 -15.0785 -15.0785 -15.0777 -15.0777 -13.5860 -13.5860 -13.5830 -13.5830 -12.8425 -12.8425 -12.8403 -12.8403 3.9844 3.9844 3.9875 3.9875 5.5973 5.5973 5.5985 5.5985 8.7547 8.7547 8.7734 8.7734 9.0388 9.0388 9.0615 9.0615 9.9411 9.9411 9.9465 9.9465 k =-0.4815 0.2233 0.6932 ( 2710 PWs) bands (ev): -33.7136 -33.7136 -33.7136 -33.7136 -15.0784 -15.0784 -15.0778 -15.0778 -13.5847 -13.5847 -13.5825 -13.5825 -12.8419 -12.8419 -12.8403 -12.8403 3.9818 3.9818 3.9841 3.9841 5.5860 5.5860 5.5869 5.5869 8.7855 8.7855 8.8025 8.8025 9.0226 9.0226 9.0426 9.0426 9.9375 9.9375 9.9416 9.9416 k =-0.4877 0.2051 0.6932 ( 2710 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0783 -15.0783 -15.0779 -15.0779 -13.5837 -13.5837 -13.5822 -13.5822 -12.8414 -12.8414 -12.8403 -12.8403 3.9801 3.9801 3.9816 3.9816 5.5780 5.5780 5.5785 5.5785 8.8118 8.8118 8.8256 8.8256 9.0090 9.0090 9.0248 9.0248 9.9350 9.9350 9.9378 9.9378 k =-0.4938 0.1868 0.6932 ( 2708 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0782 -15.0782 -15.0780 -15.0780 -13.5829 -13.5829 -13.5822 -13.5822 -12.8410 -12.8410 -12.8404 -12.8404 3.9792 3.9792 3.9799 3.9799 5.5732 5.5732 5.5735 5.5735 8.8315 8.8315 8.8396 8.8396 9.0009 9.0009 9.0101 9.0101 9.9337 9.9337 9.9351 9.9351 k =-0.5000 0.1685 0.6932 ( 2704 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0781 -15.0781 -15.0781 -15.0781 -13.5824 -13.5824 -13.5824 -13.5824 -12.8407 -12.8407 -12.8407 -12.8407 3.9791 3.9791 3.9791 3.9791 5.5717 5.5717 5.5717 5.5717 8.8417 8.8417 8.8417 8.8417 9.0012 9.0012 9.0012 9.0012 9.9337 9.9337 9.9337 9.9337 k =-0.5000 0.1685 0.6932 ( 2704 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0781 -15.0781 -15.0781 -15.0781 -13.5824 -13.5824 -13.5824 -13.5824 -12.8407 -12.8407 -12.8407 -12.8407 3.9791 3.9791 3.9791 3.9791 5.5717 5.5717 5.5717 5.5717 8.8417 8.8417 8.8417 8.8417 9.0012 9.0012 9.0012 9.0012 9.9337 9.9337 9.9337 9.9337 k =-0.5000 0.1685 0.6740 ( 2708 PWs) bands (ev): -33.7236 -33.7236 -33.7039 -33.7039 -15.0925 -15.0925 -15.0633 -15.0633 -13.5977 -13.5977 -13.5672 -13.5672 -12.8504 -12.8504 -12.8314 -12.8314 3.9332 3.9332 4.0179 4.0179 5.5243 5.5243 5.6298 5.6298 8.8202 8.8202 8.8645 8.8645 8.9161 8.9161 9.0890 9.0890 9.9130 9.9130 9.9515 9.9515 k =-0.5000 0.1685 0.6547 ( 2708 PWs) bands (ev): -33.7334 -33.7334 -33.6941 -33.6941 -15.1064 -15.1064 -15.0479 -15.0479 -13.6129 -13.6129 -13.5519 -13.5519 -12.8607 -12.8607 -12.8227 -12.8227 3.8819 3.8819 4.0476 4.0476 5.4900 5.4900 5.6965 5.6965 8.8015 8.8015 8.8249 8.8249 8.8987 8.8987 9.1757 9.1757 9.8911 9.8911 9.9654 9.9654 k =-0.5000 0.1685 0.6354 ( 2724 PWs) bands (ev): -33.7432 -33.7432 -33.6843 -33.6843 -15.1197 -15.1197 -15.0320 -15.0320 -13.6282 -13.6282 -13.5367 -13.5367 -12.8715 -12.8715 -12.8146 -12.8146 3.8270 3.8270 4.0663 4.0663 5.4707 5.4707 5.7700 5.7700 8.7432 8.7432 8.7868 8.7868 8.9289 8.9289 9.2579 9.2579 9.8712 9.8712 9.9751 9.9751 k =-0.5000 0.1685 0.6162 ( 2716 PWs) bands (ev): -33.7529 -33.7529 -33.6745 -33.6745 -15.1325 -15.1325 -15.0157 -15.0157 -13.6434 -13.6434 -13.5214 -13.5214 -12.8828 -12.8828 -12.8070 -12.8070 3.7698 3.7698 4.0727 4.0727 5.4679 5.4679 5.8485 5.8485 8.6648 8.6648 8.7748 8.7748 8.9634 8.9634 9.3299 9.3299 9.8588 9.8588 9.9806 9.9806 k =-0.5000 0.1685 0.5969 ( 2712 PWs) bands (ev): -33.7624 -33.7624 -33.6648 -33.6648 -15.1447 -15.1447 -14.9990 -14.9990 -13.6586 -13.6586 -13.5062 -13.5062 -12.8945 -12.8945 -12.8001 -12.8001 3.7112 3.7112 4.0663 4.0663 5.4823 5.4823 5.9305 5.9305 8.5906 8.5906 8.7661 8.7661 9.0011 9.0011 9.3834 9.3834 9.8625 9.8625 9.9818 9.9818 k =-0.5000 0.1685 0.5777 ( 2716 PWs) bands (ev): -33.7720 -33.7720 -33.6552 -33.6552 -15.1563 -15.1563 -14.9819 -14.9819 -13.6737 -13.6737 -13.4911 -13.4911 -12.9066 -12.9066 -12.7937 -12.7937 3.6521 3.6521 4.0475 4.0475 5.5135 5.5135 6.0147 6.0147 8.5216 8.5216 8.7608 8.7608 9.0421 9.0421 9.4097 9.4097 9.8911 9.8911 9.9792 9.9792 k =-0.5000 0.1685 0.5584 ( 2718 PWs) bands (ev): -33.7814 -33.7814 -33.6457 -33.6457 -15.1674 -15.1674 -14.9644 -14.9644 -13.6888 -13.6888 -13.4759 -13.4759 -12.9191 -12.9191 -12.7879 -12.7879 3.5933 3.5933 4.0177 4.0177 5.5603 5.5603 6.0996 6.0996 8.4585 8.4585 8.7588 8.7588 9.0861 9.0861 9.4069 9.4069 9.9462 9.9462 9.9737 9.9737 k =-0.5000 0.1685 0.5392 ( 2722 PWs) bands (ev): -33.7906 -33.7906 -33.6363 -33.6363 -15.1779 -15.1779 -14.9466 -14.9466 -13.7039 -13.7039 -13.4609 -13.4609 -12.9319 -12.9319 -12.7827 -12.7827 3.5350 3.5350 3.9786 3.9786 5.6210 5.6210 6.1841 6.1841 8.4024 8.4024 8.7602 8.7602 9.1332 9.1332 9.3811 9.3811 9.9632 9.9632 10.0242 10.0242 k =-0.5000 0.1685 0.5199 ( 2718 PWs) bands (ev): -33.7997 -33.7997 -33.6270 -33.6270 -15.1879 -15.1879 -14.9285 -14.9285 -13.7190 -13.7190 -13.4459 -13.4459 -12.9450 -12.9450 -12.7782 -12.7782 3.4779 3.4779 3.9323 3.9323 5.6936 5.6936 6.2668 6.2668 8.3540 8.3540 8.7648 8.7648 9.1832 9.1832 9.3404 9.3404 9.9516 9.9516 10.1137 10.1137 k =-0.5000 0.1685 0.5007 ( 2718 PWs) bands (ev): -33.8086 -33.8086 -33.6180 -33.6180 -15.1972 -15.1972 -14.9101 -14.9101 -13.7340 -13.7340 -13.4310 -13.4310 -12.9584 -12.9584 -12.7741 -12.7741 3.4220 3.4220 3.8804 3.8804 5.7765 5.7765 6.3463 6.3463 8.3145 8.3145 8.7729 8.7729 9.2361 9.2361 9.2905 9.2905 9.9376 9.9376 10.2107 10.2107 k =-0.5000 0.1685 0.4814 ( 2726 PWs) bands (ev): -33.8174 -33.8174 -33.6090 -33.6090 -15.2061 -15.2061 -14.8914 -14.8914 -13.7490 -13.7490 -13.4162 -13.4162 -12.9719 -12.9719 -12.7707 -12.7707 3.3678 3.3678 3.8247 3.8247 5.8679 5.8679 6.4213 6.4213 8.2850 8.2850 8.7842 8.7842 9.2352 9.2352 9.2918 9.2918 9.9219 9.9219 10.3112 10.3112 k =-0.5000 0.1685 0.4621 ( 2726 PWs) bands (ev): -33.8260 -33.8260 -33.6003 -33.6003 -15.2143 -15.2143 -14.8725 -14.8725 -13.7640 -13.7640 -13.4015 -13.4015 -12.9856 -12.9856 -12.7678 -12.7678 3.3153 3.3153 3.7665 3.7665 5.9667 5.9667 6.4902 6.4902 8.2667 8.2667 8.7988 8.7988 9.1767 9.1767 9.3502 9.3502 9.9048 9.9048 10.4127 10.4127 k =-0.5000 0.1685 0.4429 ( 2722 PWs) bands (ev): -33.8343 -33.8343 -33.5917 -33.5917 -15.2220 -15.2220 -14.8535 -14.8535 -13.7789 -13.7789 -13.3870 -13.3870 -12.9994 -12.9994 -12.7655 -12.7655 3.2647 3.2647 3.7068 3.7068 6.0717 6.0717 6.5517 6.5517 8.2608 8.2608 8.8166 8.8166 9.1164 9.1164 9.4112 9.4112 9.8867 9.8867 10.5131 10.5131 k =-0.5000 0.1685 0.4236 ( 2720 PWs) bands (ev): -33.8424 -33.8424 -33.5834 -33.5834 -15.2291 -15.2291 -14.8344 -14.8344 -13.7937 -13.7937 -13.3726 -13.3726 -13.0132 -13.0132 -12.7638 -12.7638 3.2162 3.2162 3.6464 3.6464 6.1820 6.1820 6.6046 6.6046 8.2683 8.2683 8.8377 8.8377 9.0556 9.0556 9.4746 9.4746 9.8680 9.8680 10.6105 10.6105 k =-0.5000 0.1685 0.4044 ( 2720 PWs) bands (ev): -33.8502 -33.8502 -33.5754 -33.5754 -15.2358 -15.2358 -14.8151 -14.8151 -13.8085 -13.8085 -13.3585 -13.3585 -13.0270 -13.0270 -12.7625 -12.7625 3.1697 3.1697 3.5862 3.5862 6.2968 6.2968 6.6482 6.6482 8.2895 8.2895 8.8618 8.8618 8.9952 8.9952 9.5404 9.5404 9.8490 9.8490 10.7031 10.7031 k =-0.5000 0.1685 0.3851 ( 2728 PWs) bands (ev): -33.8578 -33.8578 -33.5676 -33.5676 -15.2419 -15.2419 -14.7959 -14.7959 -13.8232 -13.8232 -13.3445 -13.3445 -13.0407 -13.0407 -12.7617 -12.7617 3.1253 3.1253 3.5267 3.5267 6.4156 6.4156 6.6821 6.6821 8.3248 8.3248 8.8883 8.8883 8.9366 8.9366 9.6084 9.6084 9.8299 9.8299 10.7886 10.7886 k =-0.5000 0.1685 0.3659 ( 2724 PWs) bands (ev): -33.8651 -33.8651 -33.5601 -33.5601 -15.2475 -15.2475 -14.7766 -14.7766 -13.8379 -13.8379 -13.3308 -13.3308 -13.0542 -13.0542 -12.7614 -12.7614 3.0831 3.0831 3.4683 3.4683 6.5376 6.5376 6.7067 6.7067 8.3734 8.3734 8.8749 8.8749 8.9224 8.9224 9.6782 9.6782 9.8112 9.8112 10.8646 10.8646 k =-0.5000 0.1685 0.3466 ( 2720 PWs) bands (ev): -33.8720 -33.8720 -33.5528 -33.5528 -15.2527 -15.2527 -14.7574 -14.7574 -13.8525 -13.8525 -13.3174 -13.3174 -13.0675 -13.0675 -12.7616 -12.7616 3.0432 3.0432 3.4115 3.4115 6.6624 6.6624 6.7227 6.7227 8.4346 8.4346 8.8197 8.8197 8.9550 8.9550 9.7490 9.7490 9.7937 9.7937 10.9281 10.9281 k =-0.5000 0.1685 0.3274 ( 2712 PWs) bands (ev): -33.8787 -33.8787 -33.5458 -33.5458 -15.2574 -15.2574 -14.7383 -14.7383 -13.8669 -13.8669 -13.3043 -13.3043 -13.0806 -13.0806 -12.7621 -12.7621 3.0055 3.0055 3.3564 3.3564 6.7306 6.7306 6.7900 6.7900 8.5067 8.5067 8.7662 8.7662 8.9915 8.9915 9.7728 9.7728 9.8251 9.8251 10.9691 10.9691 k =-0.5000 0.1685 0.3081 ( 2718 PWs) bands (ev): -33.8851 -33.8851 -33.5392 -33.5392 -15.2616 -15.2616 -14.7194 -14.7194 -13.8812 -13.8812 -13.2915 -13.2915 -13.0932 -13.0932 -12.7631 -12.7631 2.9700 2.9700 3.3035 3.3035 6.7328 6.7328 6.9187 6.9187 8.5883 8.5883 8.7156 8.7156 9.0311 9.0311 9.7563 9.7563 9.8987 9.8987 10.9520 10.9520 k =-0.5000 0.1685 0.2888 ( 2722 PWs) bands (ev): -33.8912 -33.8912 -33.5330 -33.5330 -15.2655 -15.2655 -14.7007 -14.7007 -13.8954 -13.8954 -13.2792 -13.2792 -13.1055 -13.1055 -12.7643 -12.7643 2.9368 2.9368 3.2529 3.2529 6.7299 6.7299 7.0487 7.0487 8.6640 8.6640 8.6820 8.6820 9.0735 9.0735 9.7400 9.7400 9.9736 9.9736 10.9226 10.9226 k =-0.5000 0.1685 0.2696 ( 2712 PWs) bands (ev): -33.8969 -33.8969 -33.5270 -33.5270 -15.2689 -15.2689 -14.6824 -14.6824 -13.9094 -13.9094 -13.2673 -13.2673 -13.1172 -13.1172 -12.7659 -12.7659 2.9058 2.9058 3.2048 3.2048 6.7233 6.7233 7.1790 7.1790 8.6239 8.6239 8.7747 8.7747 9.1186 9.1186 9.7245 9.7245 10.0487 10.0487 10.8952 10.8952 k =-0.5000 0.1685 0.2503 ( 2720 PWs) bands (ev): -33.9023 -33.9023 -33.5214 -33.5214 -15.2720 -15.2720 -14.6644 -14.6644 -13.9231 -13.9231 -13.2560 -13.2560 -13.1284 -13.1284 -12.7678 -12.7678 2.8770 2.8770 3.1594 3.1594 6.7140 6.7140 7.3088 7.3088 8.5853 8.5853 8.8754 8.8754 9.1663 9.1663 9.7100 9.7100 10.1231 10.1231 10.8713 10.8713 k =-0.5000 0.1685 0.2311 ( 2724 PWs) bands (ev): -33.9073 -33.9073 -33.5162 -33.5162 -15.2748 -15.2748 -14.6470 -14.6470 -13.9365 -13.9365 -13.2452 -13.2452 -13.1388 -13.1388 -12.7698 -12.7698 2.8505 2.8505 3.1169 3.1169 6.7030 6.7030 7.4368 7.4368 8.5523 8.5523 8.9797 8.9797 9.2163 9.2163 9.6965 9.6965 10.1957 10.1957 10.8516 10.8516 k =-0.5000 0.1685 0.2118 ( 2724 PWs) bands (ev): -33.9119 -33.9119 -33.5114 -33.5114 -15.2772 -15.2772 -14.6301 -14.6301 -13.9495 -13.9495 -13.2352 -13.2352 -13.1485 -13.1485 -12.7720 -12.7720 2.8261 2.8261 3.0774 3.0774 6.6909 6.6909 7.5612 7.5612 8.5263 8.5263 9.0863 9.0863 9.2685 9.2685 9.6842 9.6842 10.2650 10.2650 10.8364 10.8364 k =-0.5000 0.1685 0.1926 ( 2724 PWs) bands (ev): -33.9162 -33.9162 -33.5069 -33.5069 -15.2793 -15.2793 -14.6139 -14.6139 -13.9621 -13.9621 -13.2261 -13.2261 -13.1572 -13.1572 -12.7743 -12.7743 2.8040 2.8040 3.0409 3.0409 6.6785 6.6785 7.6796 7.6796 8.5095 8.5095 9.1940 9.1940 9.3225 9.3225 9.6730 9.6730 10.3293 10.3293 10.8227 10.8227 k =-0.5000 0.1685 0.1733 ( 2720 PWs) bands (ev): -33.9201 -33.9201 -33.5029 -33.5029 -15.2812 -15.2812 -14.5986 -14.5986 -13.9741 -13.9741 -13.2181 -13.2181 -13.1647 -13.1647 -12.7767 -12.7767 2.7840 2.7840 3.0076 3.0076 6.6662 6.6662 7.7882 7.7882 8.5048 8.5048 9.3011 9.3011 9.3784 9.3784 9.6629 9.6629 10.3859 10.3859 10.7757 10.7757 k =-0.5000 0.1685 0.1540 ( 2716 PWs) bands (ev): -33.9236 -33.9236 -33.4992 -33.4992 -15.2828 -15.2828 -14.5842 -14.5842 -13.9854 -13.9854 -13.2117 -13.2117 -13.1706 -13.1706 -12.7790 -12.7790 2.7662 2.7662 2.9776 2.9776 6.6543 6.6543 7.8821 7.8821 8.5164 8.5164 9.4044 9.4044 9.4377 9.4377 9.6542 9.6542 10.4325 10.4325 10.6973 10.6973 k =-0.5000 0.1685 0.1348 ( 2720 PWs) bands (ev): -33.9267 -33.9267 -33.4960 -33.4960 -15.2841 -15.2841 -14.5709 -14.5709 -13.9960 -13.9960 -13.2075 -13.2075 -13.1742 -13.1742 -12.7813 -12.7813 2.7505 2.7505 2.9510 2.9510 6.6433 6.6433 7.9566 7.9566 8.5481 8.5481 9.4832 9.4832 9.5187 9.5187 9.6470 9.6470 10.4676 10.4676 10.6104 10.6104 k =-0.5000 0.1685 0.1155 ( 2720 PWs) bands (ev): -33.9294 -33.9294 -33.4932 -33.4932 -15.2852 -15.2852 -14.5589 -14.5589 -14.0056 -14.0056 -13.2061 -13.2061 -13.1750 -13.1750 -12.7834 -12.7834 2.7370 2.7370 2.9277 2.9277 6.6334 6.6334 8.0091 8.0091 8.6006 8.6006 9.5410 9.5410 9.6112 9.6112 9.6458 9.6458 10.4912 10.4912 10.5200 10.5200 k =-0.5000 0.1685 0.0963 ( 2724 PWs) bands (ev): -33.9317 -33.9317 -33.4908 -33.4908 -15.2862 -15.2862 -14.5484 -14.5484 -14.0141 -14.0141 -13.2070 -13.2070 -13.1736 -13.1736 -12.7854 -12.7854 2.7256 2.7256 2.9080 2.9080 6.6247 6.6247 8.0421 8.0421 8.6697 8.6697 9.5945 9.5945 9.6307 9.6307 9.7152 9.7152 10.4280 10.4280 10.5067 10.5067 k =-0.5000 0.1685 0.0770 ( 2716 PWs) bands (ev): -33.9335 -33.9335 -33.4888 -33.4888 -15.2869 -15.2869 -14.5394 -14.5394 -14.0213 -14.0213 -13.2090 -13.2090 -13.1710 -13.1710 -12.7870 -12.7870 2.7162 2.7162 2.8918 2.8918 6.6174 6.6174 8.0607 8.0607 8.7468 8.7468 9.6273 9.6273 9.6436 9.6436 9.8011 9.8011 10.3400 10.3400 10.5152 10.5152 k =-0.5000 0.1685 0.0578 ( 2712 PWs) bands (ev): -33.9350 -33.9350 -33.4872 -33.4872 -15.2875 -15.2875 -14.5323 -14.5323 -14.0271 -14.0271 -13.2112 -13.2112 -13.1685 -13.1685 -12.7884 -12.7884 2.7090 2.7090 2.8791 2.8791 6.6117 6.6117 8.0705 8.0705 8.8223 8.8223 9.6241 9.6241 9.6863 9.6863 9.8769 9.8769 10.2601 10.2601 10.5198 10.5198 k =-0.5000 0.1685 0.0385 ( 2708 PWs) bands (ev): -33.9360 -33.9360 -33.4861 -33.4861 -15.2879 -15.2879 -14.5270 -14.5270 -14.0314 -14.0314 -13.2129 -13.2129 -13.1664 -13.1664 -12.7894 -12.7894 2.7038 2.7038 2.8700 2.8700 6.6075 6.6075 8.0752 8.0752 8.8866 8.8866 9.6217 9.6217 9.7200 9.7200 9.9376 9.9376 10.1947 10.1947 10.5221 10.5221 k =-0.5000 0.1685 0.0193 ( 2708 PWs) bands (ev): -33.9366 -33.9366 -33.4854 -33.4854 -15.2881 -15.2881 -14.5239 -14.5239 -14.0340 -14.0340 -13.2140 -13.2140 -13.1651 -13.1651 -12.7900 -12.7900 2.7007 2.7007 2.8646 2.8646 6.6050 6.6050 8.0772 8.0772 8.9303 8.9303 9.6202 9.6202 9.7417 9.7417 9.9776 9.9776 10.1510 10.1510 10.5232 10.5232 k =-0.5000 0.1685 0.0000 ( 2706 PWs) bands (ev): -33.9368 -33.9368 -33.4852 -33.4852 -15.2882 -15.2882 -14.5228 -14.5228 -14.0349 -14.0349 -13.2144 -13.2144 -13.1646 -13.1646 -12.7902 -12.7902 2.6997 2.6997 2.8628 2.8628 6.6041 6.6041 8.0777 8.0777 8.9458 8.9458 9.6198 9.6198 9.7493 9.7493 9.9917 9.9917 10.1356 10.1356 10.5235 10.5235 k = 0.0000 0.0000 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0735 -15.0735 -15.0735 -15.0735 -13.5813 -13.5813 -13.5813 -13.5813 -12.8470 -12.8470 -12.8470 -12.8470 3.4304 3.4304 3.4304 3.4304 7.0288 7.0288 7.0288 7.0288 8.3868 8.3868 8.3868 8.3868 8.6050 8.6050 8.6050 8.6050 9.8089 9.8089 9.8089 9.8089 k =-0.0179 0.0060 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0735 -15.0735 -15.0735 -15.0735 -13.5813 -13.5813 -13.5813 -13.5813 -12.8470 -12.8470 -12.8470 -12.8470 3.4316 3.4316 3.4317 3.4317 7.0222 7.0222 7.0222 7.0222 8.3918 8.3918 8.3918 8.3918 8.6057 8.6057 8.6057 8.6057 9.8091 9.8091 9.8091 9.8091 k =-0.0357 0.0120 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0736 -15.0736 -15.0736 -15.0736 -13.5813 -13.5813 -13.5813 -13.5813 -12.8469 -12.8469 -12.8469 -12.8469 3.4353 3.4353 3.4353 3.4353 7.0028 7.0028 7.0028 7.0028 8.4062 8.4062 8.4062 8.4062 8.6077 8.6077 8.6077 8.6077 9.8096 9.8096 9.8097 9.8097 k =-0.0536 0.0181 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0737 -15.0737 -15.0737 -15.0737 -13.5813 -13.5813 -13.5813 -13.5813 -12.8468 -12.8468 -12.8468 -12.8468 3.4414 3.4414 3.4414 3.4414 6.9717 6.9717 6.9717 6.9717 8.4292 8.4292 8.4292 8.4292 8.6111 8.6111 8.6111 8.6111 9.8107 9.8107 9.8107 9.8107 k =-0.0714 0.0241 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0738 -15.0738 -15.0738 -15.0738 -13.5813 -13.5813 -13.5813 -13.5813 -12.8467 -12.8467 -12.8467 -12.8467 3.4499 3.4499 3.4499 3.4499 6.9302 6.9302 6.9302 6.9302 8.4591 8.4591 8.4591 8.4591 8.6158 8.6158 8.6158 8.6158 9.8121 9.8121 9.8121 9.8121 k =-0.0893 0.0301 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0739 -15.0739 -15.0739 -15.0739 -13.5814 -13.5814 -13.5814 -13.5814 -12.8465 -12.8465 -12.8465 -12.8465 3.4608 3.4608 3.4608 3.4608 6.8798 6.8798 6.8798 6.8798 8.4943 8.4943 8.4943 8.4943 8.6219 8.6219 8.6219 8.6219 9.8141 9.8141 9.8141 9.8141 k =-0.1071 0.0361 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0740 -15.0740 -15.0740 -15.0740 -13.5814 -13.5814 -13.5814 -13.5814 -12.8463 -12.8463 -12.8463 -12.8463 3.4740 3.4740 3.4740 3.4740 6.8223 6.8223 6.8223 6.8223 8.5330 8.5330 8.5330 8.5330 8.6294 8.6294 8.6294 8.6294 9.8167 9.8167 9.8167 9.8167 k =-0.1250 0.0421 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0742 -15.0742 -15.0742 -15.0742 -13.5814 -13.5814 -13.5814 -13.5814 -12.8461 -12.8461 -12.8461 -12.8461 3.4895 3.4895 3.4895 3.4895 6.7590 6.7590 6.7591 6.7591 8.5733 8.5733 8.5733 8.5733 8.6386 8.6386 8.6386 8.6386 9.8199 9.8199 9.8199 9.8199 k =-0.1429 0.0482 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0744 -15.0744 -15.0744 -15.0744 -13.5815 -13.5815 -13.5815 -13.5815 -12.8458 -12.8458 -12.8458 -12.8458 3.5072 3.5072 3.5072 3.5072 6.6913 6.6913 6.6913 6.6913 8.6124 8.6124 8.6124 8.6124 8.6510 8.6510 8.6510 8.6510 9.8238 9.8238 9.8238 9.8238 k =-0.1607 0.0542 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0746 -15.0746 -15.0746 -15.0746 -13.5815 -13.5815 -13.5815 -13.5815 -12.8455 -12.8455 -12.8455 -12.8455 3.5269 3.5269 3.5270 3.5270 6.6203 6.6203 6.6203 6.6203 8.6427 8.6427 8.6427 8.6427 8.6728 8.6728 8.6728 8.6728 9.8285 9.8285 9.8285 9.8285 k =-0.1786 0.0602 0.6932 ( 2740 PWs) bands (ev): -33.7139 -33.7139 -33.7139 -33.7139 -15.0748 -15.0748 -15.0748 -15.0748 -13.5816 -13.5816 -13.5816 -13.5816 -12.8452 -12.8452 -12.8452 -12.8452 3.5487 3.5487 3.5487 3.5487 6.5469 6.5469 6.5469 6.5469 8.6601 8.6601 8.6601 8.6601 8.7073 8.7073 8.7073 8.7073 9.8339 9.8339 9.8339 9.8339 k =-0.1964 0.0662 0.6932 ( 2736 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0751 -15.0751 -15.0751 -15.0751 -13.5817 -13.5817 -13.5817 -13.5817 -12.8449 -12.8449 -12.8449 -12.8449 3.5724 3.5724 3.5724 3.5724 6.4719 6.4719 6.4719 6.4719 8.6736 8.6736 8.6737 8.6737 8.7443 8.7443 8.7443 8.7443 9.8400 9.8400 9.8400 9.8400 k =-0.2143 0.0722 0.6932 ( 2736 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0753 -15.0753 -15.0753 -15.0753 -13.5817 -13.5817 -13.5817 -13.5817 -12.8445 -12.8445 -12.8445 -12.8445 3.5978 3.5978 3.5978 3.5978 6.3961 6.3961 6.3961 6.3961 8.6868 8.6868 8.6868 8.6868 8.7799 8.7799 8.7799 8.7799 9.8467 9.8467 9.8467 9.8467 k =-0.2321 0.0783 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0756 -15.0756 -15.0756 -15.0756 -13.5818 -13.5818 -13.5818 -13.5818 -12.8442 -12.8442 -12.8442 -12.8442 3.6248 3.6248 3.6248 3.6248 6.3202 6.3202 6.3202 6.3202 8.7000 8.7000 8.7000 8.7000 8.8130 8.8130 8.8130 8.8130 9.8540 9.8540 9.8540 9.8540 k =-0.2500 0.0843 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0758 -15.0758 -15.0758 -15.0758 -13.5819 -13.5819 -13.5819 -13.5819 -12.8438 -12.8438 -12.8438 -12.8438 3.6531 3.6531 3.6532 3.6532 6.2447 6.2447 6.2448 6.2448 8.7134 8.7134 8.7134 8.7134 8.8432 8.8432 8.8432 8.8432 9.8618 9.8618 9.8618 9.8618 k =-0.2679 0.0903 0.6932 ( 2728 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0761 -15.0761 -15.0761 -15.0761 -13.5819 -13.5819 -13.5819 -13.5819 -12.8435 -12.8435 -12.8435 -12.8435 3.6826 3.6826 3.6826 3.6826 6.1703 6.1703 6.1703 6.1703 8.7270 8.7270 8.7270 8.7270 8.8702 8.8702 8.8702 8.8702 9.8698 9.8698 9.8698 9.8698 k =-0.2857 0.0963 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0764 -15.0764 -15.0763 -15.0763 -13.5820 -13.5820 -13.5820 -13.5820 -12.8431 -12.8431 -12.8431 -12.8431 3.7130 3.7130 3.7130 3.7130 6.0974 6.0974 6.0974 6.0974 8.7405 8.7405 8.7405 8.7405 8.8941 8.8941 8.8941 8.8941 9.8779 9.8779 9.8779 9.8779 k =-0.3036 0.1023 0.6932 ( 2744 PWs) bands (ev): -33.7139 -33.7139 -33.7139 -33.7139 -15.0766 -15.0766 -15.0766 -15.0766 -13.5820 -13.5820 -13.5820 -13.5820 -12.8428 -12.8428 -12.8428 -12.8428 3.7439 3.7439 3.7439 3.7439 6.0266 6.0266 6.0266 6.0266 8.7539 8.7539 8.7539 8.7539 8.9149 8.9149 8.9149 8.9149 9.8859 9.8859 9.8859 9.8859 k =-0.3214 0.1084 0.6932 ( 2742 PWs) bands (ev): -33.7139 -33.7139 -33.7139 -33.7139 -15.0768 -15.0768 -15.0768 -15.0768 -13.5821 -13.5821 -13.5821 -13.5821 -12.8424 -12.8424 -12.8424 -12.8424 3.7751 3.7751 3.7751 3.7751 5.9586 5.9586 5.9586 5.9586 8.7669 8.7669 8.7669 8.7669 8.9328 8.9328 8.9328 8.9328 9.8936 9.8936 9.8936 9.8936 k =-0.3393 0.1144 0.6932 ( 2742 PWs) bands (ev): -33.7139 -33.7139 -33.7139 -33.7139 -15.0771 -15.0771 -15.0771 -15.0771 -13.5822 -13.5822 -13.5822 -13.5822 -12.8421 -12.8421 -12.8421 -12.8421 3.8059 3.8059 3.8060 3.8060 5.8938 5.8938 5.8938 5.8938 8.7794 8.7794 8.7794 8.7794 8.9480 8.9480 8.9481 8.9481 9.9009 9.9009 9.9009 9.9009 k =-0.3571 0.1204 0.6932 ( 2732 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0773 -15.0773 -15.0773 -15.0773 -13.5822 -13.5822 -13.5822 -13.5822 -12.8418 -12.8418 -12.8418 -12.8418 3.8361 3.8361 3.8361 3.8361 5.8330 5.8330 5.8330 5.8330 8.7912 8.7912 8.7912 8.7912 8.9608 8.9608 8.9608 8.9608 9.9076 9.9076 9.9076 9.9076 k =-0.3750 0.1264 0.6932 ( 2738 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0775 -15.0775 -15.0775 -15.0775 -13.5823 -13.5823 -13.5823 -13.5823 -12.8416 -12.8416 -12.8416 -12.8416 3.8650 3.8650 3.8650 3.8650 5.7767 5.7767 5.7767 5.7767 8.8022 8.8022 8.8022 8.8022 8.9714 8.9714 8.9714 8.9714 9.9136 9.9136 9.9136 9.9136 k =-0.3929 0.1324 0.6932 ( 2734 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0776 -15.0776 -15.0776 -15.0776 -13.5823 -13.5823 -13.5823 -13.5823 -12.8413 -12.8413 -12.8413 -12.8413 3.8921 3.8921 3.8921 3.8921 5.7258 5.7258 5.7258 5.7258 8.8121 8.8121 8.8121 8.8121 8.9800 8.9800 8.9801 8.9801 9.9189 9.9189 9.9189 9.9189 k =-0.4107 0.1384 0.6932 ( 2730 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0778 -15.0778 -15.0778 -15.0778 -13.5823 -13.5823 -13.5823 -13.5823 -12.8411 -12.8411 -12.8411 -12.8411 3.9166 3.9166 3.9166 3.9166 5.6809 5.6809 5.6809 5.6809 8.8208 8.8208 8.8208 8.8208 8.9869 8.9869 8.9869 8.9869 9.9234 9.9234 9.9234 9.9234 k =-0.4286 0.1445 0.6932 ( 2726 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0779 -15.0779 -15.0779 -15.0779 -13.5824 -13.5824 -13.5824 -13.5824 -12.8410 -12.8410 -12.8410 -12.8410 3.9380 3.9380 3.9380 3.9380 5.6428 5.6428 5.6428 5.6428 8.8281 8.8281 8.8281 8.8281 8.9923 8.9923 8.9923 8.9923 9.9271 9.9271 9.9271 9.9271 k =-0.4464 0.1505 0.6932 ( 2718 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0780 -15.0780 -15.0780 -15.0780 -13.5824 -13.5824 -13.5824 -13.5824 -12.8408 -12.8408 -12.8408 -12.8408 3.9554 3.9554 3.9554 3.9554 5.6123 5.6123 5.6123 5.6123 8.8340 8.8340 8.8340 8.8340 8.9963 8.9963 8.9963 8.9963 9.9300 9.9300 9.9300 9.9300 k =-0.4643 0.1565 0.6932 ( 2714 PWs) bands (ev): -33.7138 -33.7138 -33.7138 -33.7138 -15.0781 -15.0781 -15.0781 -15.0781 -13.5824 -13.5824 -13.5824 -13.5824 -12.8407 -12.8407 -12.8407 -12.8407 3.9684 3.9684 3.9684 3.9684 5.5899 5.5899 5.5899 5.5899 8.8382 8.8382 8.8382 8.8382 8.9991 8.9991 8.9991 8.9991 9.9321 9.9321 9.9321 9.9321 k =-0.4821 0.1625 0.6932 ( 2708 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0781 -15.0781 -15.0781 -15.0781 -13.5824 -13.5824 -13.5824 -13.5824 -12.8407 -12.8407 -12.8407 -12.8407 3.9764 3.9764 3.9764 3.9764 5.5763 5.5763 5.5763 5.5763 8.8408 8.8408 8.8408 8.8408 9.0007 9.0007 9.0007 9.0007 9.9333 9.9333 9.9333 9.9333 k =-0.5000 0.1685 0.6932 ( 2704 PWs) bands (ev): -33.7137 -33.7137 -33.7137 -33.7137 -15.0781 -15.0781 -15.0781 -15.0781 -13.5824 -13.5824 -13.5824 -13.5824 -12.8407 -12.8407 -12.8407 -12.8407 3.9791 3.9791 3.9791 3.9791 5.5717 5.5717 5.5717 5.5717 8.8417 8.8417 8.8417 8.8417 9.0012 9.0012 9.0012 9.0012 9.9337 9.9337 9.9337 9.9337 Writing output data file YAl.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 87.02s CPU 88.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 87.01s CPU 88.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 406 calls) cegterg : 74.69s CPU 75.95s WALL ( 436 calls) Called by sum_band: Called by *egterg: h_psi : 46.33s CPU 47.85s WALL ( 7091 calls) s_psi : 3.55s CPU 3.63s WALL ( 7091 calls) g_psi : 0.10s CPU 0.12s WALL ( 6249 calls) cdiaghg : 28.39s CPU 27.98s WALL ( 6655 calls) cegterg:over : 2.36s CPU 2.42s WALL ( 6249 calls) cegterg:upda : 1.62s CPU 1.73s WALL ( 6249 calls) cegterg:last : 0.93s CPU 1.14s WALL ( 1248 calls) cdiaghg:chol : 1.61s CPU 1.53s WALL ( 6655 calls) cdiaghg:inve : 0.67s CPU 0.74s WALL ( 6655 calls) cdiaghg:para : 1.57s CPU 1.64s WALL ( 13310 calls) Called by h_psi: h_psi:vloc : 38.85s CPU 40.22s WALL ( 7091 calls) h_psi:vnl : 7.40s CPU 7.54s WALL ( 7091 calls) add_vuspsi : 4.12s CPU 4.19s WALL ( 7091 calls) General routines calbec : 3.26s CPU 3.33s WALL ( 7091 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 35.53s CPU 36.87s WALL ( 613672 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.21s WALL ( 812 calls) Parallel routines fft_scatter : 13.59s CPU 13.99s WALL ( 613695 calls) PWSCF : 1m39.19s CPU 1m56.45s WALL This run was terminated on: 19:44:43 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=