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 1293 599 98 Max 46 28 9 1296 616 103 Sum 1651 989 293 46621 21893 3571 bravais-lattice index = 14 lattice parameter (alat) = 11.5536 a.u. unit-cell volume = 665.9387 (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)= 11.553597 celldm(2)= 1.000000 celldm(3)= 0.719017 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.799593 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.799593 0.600542 0.000000 ) a(3) = ( 0.000000 0.000000 0.719017 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.331453 -0.000000 ) b(2) = ( 0.000000 1.665163 -0.000000 ) b(3) = ( 0.000000 0.000000 1.390787 ) 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= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0060400 0.0180996 -0.0000000), wk = 0.0024510 k( 3) = ( 0.0120800 0.0361992 -0.0000000), wk = 0.0024510 k( 4) = ( 0.0181200 0.0542988 -0.0000000), wk = 0.0024510 k( 5) = ( 0.0241600 0.0723984 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0302001 0.0904980 -0.0000000), wk = 0.0024510 k( 7) = ( 0.0362401 0.1085976 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0422801 0.1266971 -0.0000000), wk = 0.0024510 k( 9) = ( 0.0483201 0.1447968 -0.0000000), wk = 0.0024510 k( 10) = ( 0.0543601 0.1628964 -0.0000000), wk = 0.0024510 k( 11) = ( 0.0604001 0.1809959 -0.0000000), wk = 0.0024510 k( 12) = ( 0.0664401 0.1990955 -0.0000000), wk = 0.0024510 k( 13) = ( 0.0724801 0.2171951 -0.0000000), wk = 0.0024510 k( 14) = ( 0.0785202 0.2352947 -0.0000000), wk = 0.0024510 k( 15) = ( 0.0845602 0.2533943 -0.0000000), wk = 0.0024510 k( 16) = ( 0.0906002 0.2714939 -0.0000000), wk = 0.0024510 k( 17) = ( 0.0966402 0.2895935 -0.0000000), wk = 0.0024510 k( 18) = ( 0.1026802 0.3076931 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1087202 0.3257927 -0.0000000), wk = 0.0024510 k( 20) = ( 0.1147602 0.3438923 -0.0000000), wk = 0.0024510 k( 21) = ( 0.1208002 0.3619919 -0.0000000), wk = 0.0024510 k( 22) = ( 0.1268402 0.3800915 -0.0000000), wk = 0.0024510 k( 23) = ( 0.1328803 0.3981911 -0.0000000), wk = 0.0024510 k( 24) = ( 0.1389203 0.4162907 -0.0000000), wk = 0.0024510 k( 25) = ( 0.1449603 0.4343903 -0.0000000), wk = 0.0024510 k( 26) = ( 0.1510003 0.4524899 -0.0000000), wk = 0.0024510 k( 27) = ( 0.1570403 0.4705895 -0.0000000), wk = 0.0024510 k( 28) = ( 0.1630803 0.4886891 -0.0000000), wk = 0.0024510 k( 29) = ( 0.1691203 0.5067886 -0.0000000), wk = 0.0024510 k( 30) = ( 0.1751603 0.5248882 -0.0000000), wk = 0.0024510 k( 31) = ( 0.1812004 0.5429878 -0.0000000), wk = 0.0024510 k( 32) = ( 0.1872404 0.5610874 -0.0000000), wk = 0.0024510 k( 33) = ( 0.1932804 0.5791870 -0.0000000), wk = 0.0024510 k( 34) = ( 0.1993204 0.5972866 -0.0000000), wk = 0.0024510 k( 35) = ( 0.2053604 0.6153862 -0.0000000), wk = 0.0024510 k( 36) = ( 0.2114004 0.6334858 -0.0000000), wk = 0.0024510 k( 37) = ( 0.2174404 0.6515854 -0.0000000), wk = 0.0024510 k( 38) = ( 0.2234804 0.6696850 -0.0000000), wk = 0.0024510 k( 39) = ( 0.2295205 0.6877846 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2355605 0.7058842 -0.0000000), wk = 0.0024510 k( 41) = ( 0.2416005 0.7239838 -0.0000000), wk = 0.0024510 k( 42) = ( 0.2476405 0.7420834 -0.0000000), wk = 0.0024510 k( 43) = ( 0.2536805 0.7601830 -0.0000000), wk = 0.0024510 k( 44) = ( 0.2597205 0.7782826 -0.0000000), wk = 0.0024510 k( 45) = ( 0.2657605 0.7963821 -0.0000000), wk = 0.0024510 k( 46) = ( 0.2718005 0.8144818 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2778406 0.8325814 -0.0000000), wk = 0.0024510 k( 48) = ( 0.2778406 0.8325814 -0.0000000), wk = 0.0024510 k( 49) = ( 0.2593179 0.8325813 -0.0000000), wk = 0.0024510 k( 50) = ( 0.2407952 0.8325814 -0.0000000), wk = 0.0024510 k( 51) = ( 0.2222725 0.8325814 -0.0000000), wk = 0.0024510 k( 52) = ( 0.2037497 0.8325814 -0.0000000), wk = 0.0024510 k( 53) = ( 0.1852270 0.8325814 -0.0000000), wk = 0.0024510 k( 54) = ( 0.1667043 0.8325813 -0.0000000), wk = 0.0024510 k( 55) = ( 0.1481816 0.8325813 -0.0000000), wk = 0.0024510 k( 56) = ( 0.1296589 0.8325813 -0.0000000), wk = 0.0024510 k( 57) = ( 0.1111362 0.8325813 -0.0000000), wk = 0.0024510 k( 58) = ( 0.0926135 0.8325813 -0.0000000), wk = 0.0024510 k( 59) = ( 0.0740908 0.8325814 -0.0000000), wk = 0.0024510 k( 60) = ( 0.0555681 0.8325813 -0.0000000), wk = 0.0024510 k( 61) = ( 0.0370454 0.8325814 -0.0000000), wk = 0.0024510 k( 62) = ( 0.0185227 0.8325813 -0.0000000), wk = 0.0024510 k( 63) = ( 0.0000000 0.8325814 -0.0000000), wk = 0.0024510 k( 64) = ( 0.0000000 0.8325814 -0.0000000), wk = 0.0024510 k( 65) = ( 0.0000000 0.8325814 0.0193165), wk = 0.0024510 k( 66) = ( 0.0000000 0.8325814 0.0386330), wk = 0.0024510 k( 67) = ( 0.0000000 0.8325814 0.0579495), wk = 0.0024510 k( 68) = ( 0.0000000 0.8325814 0.0772660), wk = 0.0024510 k( 69) = ( 0.0000000 0.8325814 0.0965824), wk = 0.0024510 k( 70) = ( 0.0000000 0.8325814 0.1158989), wk = 0.0024510 k( 71) = ( 0.0000000 0.8325814 0.1352154), wk = 0.0024510 k( 72) = ( 0.0000000 0.8325814 0.1545319), wk = 0.0024510 k( 73) = ( 0.0000000 0.8325814 0.1738484), wk = 0.0024510 k( 74) = ( 0.0000000 0.8325814 0.1931649), wk = 0.0024510 k( 75) = ( 0.0000000 0.8325814 0.2124814), wk = 0.0024510 k( 76) = ( 0.0000000 0.8325814 0.2317979), wk = 0.0024510 k( 77) = ( 0.0000000 0.8325814 0.2511144), wk = 0.0024510 k( 78) = ( 0.0000000 0.8325814 0.2704308), wk = 0.0024510 k( 79) = ( 0.0000000 0.8325814 0.2897473), wk = 0.0024510 k( 80) = ( 0.0000000 0.8325814 0.3090638), wk = 0.0024510 k( 81) = ( 0.0000000 0.8325814 0.3283803), wk = 0.0024510 k( 82) = ( 0.0000000 0.8325814 0.3476968), wk = 0.0024510 k( 83) = ( 0.0000000 0.8325814 0.3670133), wk = 0.0024510 k( 84) = ( 0.0000000 0.8325814 0.3863298), wk = 0.0024510 k( 85) = ( 0.0000000 0.8325814 0.4056463), wk = 0.0024510 k( 86) = ( 0.0000000 0.8325814 0.4249628), wk = 0.0024510 k( 87) = ( 0.0000000 0.8325814 0.4442792), wk = 0.0024510 k( 88) = ( 0.0000000 0.8325814 0.4635957), wk = 0.0024510 k( 89) = ( 0.0000000 0.8325814 0.4829122), wk = 0.0024510 k( 90) = ( 0.0000000 0.8325814 0.5022287), wk = 0.0024510 k( 91) = ( 0.0000000 0.8325814 0.5215452), wk = 0.0024510 k( 92) = ( 0.0000000 0.8325814 0.5408617), wk = 0.0024510 k( 93) = ( 0.0000000 0.8325814 0.5601782), wk = 0.0024510 k( 94) = ( 0.0000000 0.8325814 0.5794947), wk = 0.0024510 k( 95) = ( 0.0000000 0.8325814 0.5988112), wk = 0.0024510 k( 96) = ( 0.0000000 0.8325814 0.6181276), wk = 0.0024510 k( 97) = ( 0.0000000 0.8325814 0.6374441), wk = 0.0024510 k( 98) = ( 0.0000000 0.8325814 0.6567606), wk = 0.0024510 k( 99) = ( 0.0000000 0.8325814 0.6760771), wk = 0.0024510 k( 100) = ( 0.0000000 0.8325814 0.6953936), wk = 0.0024510 k( 101) = ( 0.0000000 0.8325814 0.6953936), wk = 0.0024510 k( 102) = ( 0.0185227 0.8325813 0.6953936), wk = 0.0024510 k( 103) = ( 0.0370454 0.8325814 0.6953936), wk = 0.0024510 k( 104) = ( 0.0555681 0.8325813 0.6953936), wk = 0.0024510 k( 105) = ( 0.0740908 0.8325814 0.6953936), wk = 0.0024510 k( 106) = ( 0.0926135 0.8325813 0.6953936), wk = 0.0024510 k( 107) = ( 0.1111362 0.8325813 0.6953936), wk = 0.0024510 k( 108) = ( 0.1296589 0.8325813 0.6953936), wk = 0.0024510 k( 109) = ( 0.1481816 0.8325813 0.6953936), wk = 0.0024510 k( 110) = ( 0.1667043 0.8325813 0.6953936), wk = 0.0024510 k( 111) = ( 0.1852270 0.8325814 0.6953936), wk = 0.0024510 k( 112) = ( 0.2037497 0.8325814 0.6953936), wk = 0.0024510 k( 113) = ( 0.2222725 0.8325814 0.6953936), wk = 0.0024510 k( 114) = ( 0.2407952 0.8325814 0.6953936), wk = 0.0024510 k( 115) = ( 0.2593179 0.8325813 0.6953936), wk = 0.0024510 k( 116) = ( 0.2778406 0.8325814 0.6953936), wk = 0.0024510 k( 117) = ( 0.2778406 0.8325814 0.6953936), wk = 0.0024510 k( 118) = ( 0.2718005 0.8144818 0.6953936), wk = 0.0024510 k( 119) = ( 0.2657605 0.7963821 0.6953936), wk = 0.0024510 k( 120) = ( 0.2597205 0.7782826 0.6953936), wk = 0.0024510 k( 121) = ( 0.2536805 0.7601830 0.6953936), wk = 0.0024510 k( 122) = ( 0.2476405 0.7420834 0.6953936), wk = 0.0024510 k( 123) = ( 0.2416005 0.7239838 0.6953936), wk = 0.0024510 k( 124) = ( 0.2355605 0.7058842 0.6953936), wk = 0.0024510 k( 125) = ( 0.2295205 0.6877846 0.6953936), wk = 0.0024510 k( 126) = ( 0.2234804 0.6696850 0.6953936), wk = 0.0024510 k( 127) = ( 0.2174404 0.6515854 0.6953936), wk = 0.0024510 k( 128) = ( 0.2114004 0.6334858 0.6953936), wk = 0.0024510 k( 129) = ( 0.2053604 0.6153862 0.6953936), wk = 0.0024510 k( 130) = ( 0.1993204 0.5972866 0.6953936), wk = 0.0024510 k( 131) = ( 0.1932804 0.5791870 0.6953936), wk = 0.0024510 k( 132) = ( 0.1872404 0.5610874 0.6953936), wk = 0.0024510 k( 133) = ( 0.1812004 0.5429878 0.6953936), wk = 0.0024510 k( 134) = ( 0.1751603 0.5248882 0.6953936), wk = 0.0024510 k( 135) = ( 0.1691203 0.5067886 0.6953936), wk = 0.0024510 k( 136) = ( 0.1630803 0.4886891 0.6953936), wk = 0.0024510 k( 137) = ( 0.1570403 0.4705895 0.6953936), wk = 0.0024510 k( 138) = ( 0.1510003 0.4524899 0.6953936), wk = 0.0024510 k( 139) = ( 0.1449603 0.4343903 0.6953936), wk = 0.0024510 k( 140) = ( 0.1389203 0.4162907 0.6953936), wk = 0.0024510 k( 141) = ( 0.1328803 0.3981911 0.6953936), wk = 0.0024510 k( 142) = ( 0.1268402 0.3800915 0.6953936), wk = 0.0024510 k( 143) = ( 0.1208002 0.3619919 0.6953936), wk = 0.0024510 k( 144) = ( 0.1147602 0.3438923 0.6953936), wk = 0.0024510 k( 145) = ( 0.1087202 0.3257927 0.6953936), wk = 0.0024510 k( 146) = ( 0.1026802 0.3076931 0.6953936), wk = 0.0024510 k( 147) = ( 0.0966402 0.2895935 0.6953936), wk = 0.0024510 k( 148) = ( 0.0906002 0.2714939 0.6953936), wk = 0.0024510 k( 149) = ( 0.0845602 0.2533943 0.6953936), wk = 0.0024510 k( 150) = ( 0.0785202 0.2352947 0.6953936), wk = 0.0024510 k( 151) = ( 0.0724801 0.2171951 0.6953936), wk = 0.0024510 k( 152) = ( 0.0664401 0.1990955 0.6953936), wk = 0.0024510 k( 153) = ( 0.0604001 0.1809959 0.6953936), wk = 0.0024510 k( 154) = ( 0.0543601 0.1628964 0.6953936), wk = 0.0024510 k( 155) = ( 0.0483201 0.1447968 0.6953936), wk = 0.0024510 k( 156) = ( 0.0422801 0.1266971 0.6953936), wk = 0.0024510 k( 157) = ( 0.0362401 0.1085976 0.6953936), wk = 0.0024510 k( 158) = ( 0.0302001 0.0904980 0.6953936), wk = 0.0024510 k( 159) = ( 0.0241600 0.0723984 0.6953936), wk = 0.0024510 k( 160) = ( 0.0181200 0.0542988 0.6953936), wk = 0.0024510 k( 161) = ( 0.0120800 0.0361992 0.6953936), wk = 0.0024510 k( 162) = ( 0.0060400 0.0180996 0.6953936), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.6953936), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.6953936), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.6760771), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.6567606), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.6374441), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.6181276), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.5988112), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.5794947), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.5601782), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.5408617), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.5215452), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.5022287), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.4829122), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.4635957), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.4442792), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.4249628), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.4056463), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.3863298), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.3670133), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.3476968), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.3283803), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.3090638), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.2897473), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.2704308), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.2511144), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.2317979), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.2124814), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.1931649), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.1738484), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1545319), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.1352154), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.1158989), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.0965824), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.0772660), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0579495), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0386330), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0193165), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 202) = ( -0.0178571 0.0059591 -0.0000000), wk = 0.0024510 k( 203) = ( -0.0357143 0.0119182 -0.0000000), wk = 0.0024510 k( 204) = ( -0.0535714 0.0178773 -0.0000000), wk = 0.0024510 k( 205) = ( -0.0714286 0.0238364 -0.0000000), wk = 0.0024510 k( 206) = ( -0.0892857 0.0297955 -0.0000000), wk = 0.0024510 k( 207) = ( -0.1071429 0.0357546 -0.0000000), wk = 0.0024510 k( 208) = ( -0.1250000 0.0417137 -0.0000000), wk = 0.0024510 k( 209) = ( -0.1428571 0.0476728 -0.0000000), wk = 0.0024510 k( 210) = ( -0.1607143 0.0536319 -0.0000000), wk = 0.0024510 k( 211) = ( -0.1785714 0.0595910 -0.0000000), wk = 0.0024510 k( 212) = ( -0.1964286 0.0655501 -0.0000000), wk = 0.0024510 k( 213) = ( -0.2142857 0.0715092 -0.0000000), wk = 0.0024510 k( 214) = ( -0.2321429 0.0774683 -0.0000000), wk = 0.0024510 k( 215) = ( -0.2500000 0.0834275 -0.0000000), wk = 0.0024510 k( 216) = ( -0.2678571 0.0893866 -0.0000000), wk = 0.0024510 k( 217) = ( -0.2857143 0.0953457 -0.0000000), wk = 0.0024510 k( 218) = ( -0.3035714 0.1013048 -0.0000000), wk = 0.0024510 k( 219) = ( -0.3214286 0.1072639 -0.0000000), wk = 0.0024510 k( 220) = ( -0.3392857 0.1132230 -0.0000000), wk = 0.0024510 k( 221) = ( -0.3571429 0.1191821 -0.0000000), wk = 0.0024510 k( 222) = ( -0.3750000 0.1251412 -0.0000000), wk = 0.0024510 k( 223) = ( -0.3928571 0.1311003 -0.0000000), wk = 0.0024510 k( 224) = ( -0.4107143 0.1370594 -0.0000000), wk = 0.0024510 k( 225) = ( -0.4285714 0.1430185 -0.0000000), wk = 0.0024510 k( 226) = ( -0.4464286 0.1489776 -0.0000000), wk = 0.0024510 k( 227) = ( -0.4642857 0.1549367 -0.0000000), wk = 0.0024510 k( 228) = ( -0.4821429 0.1608958 -0.0000000), wk = 0.0024510 k( 229) = ( -0.5000000 0.1668549 -0.0000000), wk = 0.0024510 k( 230) = ( -0.5000000 0.1668549 -0.0000000), wk = 0.0024510 k( 231) = ( -0.4939957 0.1848475 -0.0000000), wk = 0.0024510 k( 232) = ( -0.4879914 0.2028401 -0.0000000), wk = 0.0024510 k( 233) = ( -0.4819871 0.2208327 -0.0000000), wk = 0.0024510 k( 234) = ( -0.4759828 0.2388253 -0.0000000), wk = 0.0024510 k( 235) = ( -0.4699784 0.2568179 -0.0000000), wk = 0.0024510 k( 236) = ( -0.4639741 0.2748106 -0.0000000), wk = 0.0024510 k( 237) = ( -0.4579698 0.2928031 -0.0000000), wk = 0.0024510 k( 238) = ( -0.4519655 0.3107957 -0.0000000), wk = 0.0024510 k( 239) = ( -0.4459612 0.3287884 -0.0000000), wk = 0.0024510 k( 240) = ( -0.4399569 0.3467810 -0.0000000), wk = 0.0024510 k( 241) = ( -0.4339526 0.3647736 -0.0000000), wk = 0.0024510 k( 242) = ( -0.4279483 0.3827662 -0.0000000), wk = 0.0024510 k( 243) = ( -0.4219440 0.4007588 -0.0000000), wk = 0.0024510 k( 244) = ( -0.4159397 0.4187514 -0.0000000), wk = 0.0024510 k( 245) = ( -0.4099354 0.4367440 -0.0000000), wk = 0.0024510 k( 246) = ( -0.4039311 0.4547366 -0.0000000), wk = 0.0024510 k( 247) = ( -0.3979267 0.4727292 -0.0000000), wk = 0.0024510 k( 248) = ( -0.3919224 0.4907218 -0.0000000), wk = 0.0024510 k( 249) = ( -0.3859181 0.5087144 -0.0000000), wk = 0.0024510 k( 250) = ( -0.3799138 0.5267070 -0.0000000), wk = 0.0024510 k( 251) = ( -0.3739095 0.5446996 -0.0000000), wk = 0.0024510 k( 252) = ( -0.3679052 0.5626922 -0.0000000), wk = 0.0024510 k( 253) = ( -0.3619009 0.5806848 -0.0000000), wk = 0.0024510 k( 254) = ( -0.3558966 0.5986775 -0.0000000), wk = 0.0024510 k( 255) = ( -0.3498923 0.6166701 -0.0000000), wk = 0.0024510 k( 256) = ( -0.3438880 0.6346627 -0.0000000), wk = 0.0024510 k( 257) = ( -0.3378836 0.6526553 -0.0000000), wk = 0.0024510 k( 258) = ( -0.3318793 0.6706479 -0.0000000), wk = 0.0024510 k( 259) = ( -0.3258750 0.6886405 -0.0000000), wk = 0.0024510 k( 260) = ( -0.3198707 0.7066331 -0.0000000), wk = 0.0024510 k( 261) = ( -0.3138664 0.7246257 -0.0000000), wk = 0.0024510 k( 262) = ( -0.3078621 0.7426183 -0.0000000), wk = 0.0024510 k( 263) = ( -0.3018578 0.7606109 -0.0000000), wk = 0.0024510 k( 264) = ( -0.2958535 0.7786035 -0.0000000), wk = 0.0024510 k( 265) = ( -0.2898492 0.7965961 -0.0000000), wk = 0.0024510 k( 266) = ( -0.2838449 0.8145887 -0.0000000), wk = 0.0024510 k( 267) = ( -0.2778406 0.8325813 -0.0000000), wk = 0.0024510 k( 268) = ( -0.2778406 0.8325813 -0.0000000), wk = 0.0024510 k( 269) = ( -0.2778406 0.8325813 0.0193165), wk = 0.0024510 k( 270) = ( -0.2778406 0.8325813 0.0386330), wk = 0.0024510 k( 271) = ( -0.2778406 0.8325813 0.0579495), wk = 0.0024510 k( 272) = ( -0.2778406 0.8325813 0.0772660), wk = 0.0024510 k( 273) = ( -0.2778406 0.8325813 0.0965824), wk = 0.0024510 k( 274) = ( -0.2778406 0.8325813 0.1158989), wk = 0.0024510 k( 275) = ( -0.2778406 0.8325813 0.1352154), wk = 0.0024510 k( 276) = ( -0.2778406 0.8325813 0.1545319), wk = 0.0024510 k( 277) = ( -0.2778406 0.8325813 0.1738484), wk = 0.0024510 k( 278) = ( -0.2778406 0.8325813 0.1931649), wk = 0.0024510 k( 279) = ( -0.2778406 0.8325813 0.2124814), wk = 0.0024510 k( 280) = ( -0.2778406 0.8325813 0.2317979), wk = 0.0024510 k( 281) = ( -0.2778406 0.8325813 0.2511144), wk = 0.0024510 k( 282) = ( -0.2778406 0.8325813 0.2704308), wk = 0.0024510 k( 283) = ( -0.2778406 0.8325813 0.2897473), wk = 0.0024510 k( 284) = ( -0.2778406 0.8325813 0.3090638), wk = 0.0024510 k( 285) = ( -0.2778406 0.8325813 0.3283803), wk = 0.0024510 k( 286) = ( -0.2778406 0.8325813 0.3476968), wk = 0.0024510 k( 287) = ( -0.2778406 0.8325813 0.3670133), wk = 0.0024510 k( 288) = ( -0.2778406 0.8325813 0.3863298), wk = 0.0024510 k( 289) = ( -0.2778406 0.8325813 0.4056463), wk = 0.0024510 k( 290) = ( -0.2778406 0.8325813 0.4249628), wk = 0.0024510 k( 291) = ( -0.2778406 0.8325813 0.4442792), wk = 0.0024510 k( 292) = ( -0.2778406 0.8325813 0.4635957), wk = 0.0024510 k( 293) = ( -0.2778406 0.8325813 0.4829122), wk = 0.0024510 k( 294) = ( -0.2778406 0.8325813 0.5022287), wk = 0.0024510 k( 295) = ( -0.2778406 0.8325813 0.5215452), wk = 0.0024510 k( 296) = ( -0.2778406 0.8325813 0.5408617), wk = 0.0024510 k( 297) = ( -0.2778406 0.8325813 0.5601782), wk = 0.0024510 k( 298) = ( -0.2778406 0.8325813 0.5794947), wk = 0.0024510 k( 299) = ( -0.2778406 0.8325813 0.5988112), wk = 0.0024510 k( 300) = ( -0.2778406 0.8325813 0.6181276), wk = 0.0024510 k( 301) = ( -0.2778406 0.8325813 0.6374441), wk = 0.0024510 k( 302) = ( -0.2778406 0.8325813 0.6567606), wk = 0.0024510 k( 303) = ( -0.2778406 0.8325813 0.6760771), wk = 0.0024510 k( 304) = ( -0.2778406 0.8325813 0.6953936), wk = 0.0024510 k( 305) = ( -0.2778406 0.8325813 0.6953936), wk = 0.0024510 k( 306) = ( -0.2838449 0.8145887 0.6953936), wk = 0.0024510 k( 307) = ( -0.2898492 0.7965961 0.6953936), wk = 0.0024510 k( 308) = ( -0.2958535 0.7786035 0.6953936), wk = 0.0024510 k( 309) = ( -0.3018578 0.7606109 0.6953936), wk = 0.0024510 k( 310) = ( -0.3078621 0.7426183 0.6953936), wk = 0.0024510 k( 311) = ( -0.3138664 0.7246257 0.6953936), wk = 0.0024510 k( 312) = ( -0.3198707 0.7066331 0.6953936), wk = 0.0024510 k( 313) = ( -0.3258750 0.6886405 0.6953936), wk = 0.0024510 k( 314) = ( -0.3318793 0.6706479 0.6953936), wk = 0.0024510 k( 315) = ( -0.3378836 0.6526553 0.6953936), wk = 0.0024510 k( 316) = ( -0.3438880 0.6346627 0.6953936), wk = 0.0024510 k( 317) = ( -0.3498923 0.6166701 0.6953936), wk = 0.0024510 k( 318) = ( -0.3558966 0.5986775 0.6953936), wk = 0.0024510 k( 319) = ( -0.3619009 0.5806848 0.6953936), wk = 0.0024510 k( 320) = ( -0.3679052 0.5626922 0.6953936), wk = 0.0024510 k( 321) = ( -0.3739095 0.5446996 0.6953936), wk = 0.0024510 k( 322) = ( -0.3799138 0.5267070 0.6953936), wk = 0.0024510 k( 323) = ( -0.3859181 0.5087144 0.6953936), wk = 0.0024510 k( 324) = ( -0.3919224 0.4907218 0.6953936), wk = 0.0024510 k( 325) = ( -0.3979267 0.4727292 0.6953936), wk = 0.0024510 k( 326) = ( -0.4039311 0.4547366 0.6953936), wk = 0.0024510 k( 327) = ( -0.4099354 0.4367440 0.6953936), wk = 0.0024510 k( 328) = ( -0.4159397 0.4187514 0.6953936), wk = 0.0024510 k( 329) = ( -0.4219440 0.4007588 0.6953936), wk = 0.0024510 k( 330) = ( -0.4279483 0.3827662 0.6953936), wk = 0.0024510 k( 331) = ( -0.4339526 0.3647736 0.6953936), wk = 0.0024510 k( 332) = ( -0.4399569 0.3467810 0.6953936), wk = 0.0024510 k( 333) = ( -0.4459612 0.3287884 0.6953936), wk = 0.0024510 k( 334) = ( -0.4519655 0.3107957 0.6953936), wk = 0.0024510 k( 335) = ( -0.4579698 0.2928031 0.6953936), wk = 0.0024510 k( 336) = ( -0.4639741 0.2748106 0.6953936), wk = 0.0024510 k( 337) = ( -0.4699784 0.2568179 0.6953936), wk = 0.0024510 k( 338) = ( -0.4759828 0.2388253 0.6953936), wk = 0.0024510 k( 339) = ( -0.4819871 0.2208327 0.6953936), wk = 0.0024510 k( 340) = ( -0.4879914 0.2028401 0.6953936), wk = 0.0024510 k( 341) = ( -0.4939957 0.1848475 0.6953936), wk = 0.0024510 k( 342) = ( -0.5000000 0.1668549 0.6953936), wk = 0.0024510 k( 343) = ( -0.5000000 0.1668549 0.6953936), wk = 0.0024510 k( 344) = ( -0.5000000 0.1668549 0.6760771), wk = 0.0024510 k( 345) = ( -0.5000000 0.1668549 0.6567606), wk = 0.0024510 k( 346) = ( -0.5000000 0.1668549 0.6374441), wk = 0.0024510 k( 347) = ( -0.5000000 0.1668549 0.6181276), wk = 0.0024510 k( 348) = ( -0.5000000 0.1668549 0.5988112), wk = 0.0024510 k( 349) = ( -0.5000000 0.1668549 0.5794947), wk = 0.0024510 k( 350) = ( -0.5000000 0.1668549 0.5601782), wk = 0.0024510 k( 351) = ( -0.5000000 0.1668549 0.5408617), wk = 0.0024510 k( 352) = ( -0.5000000 0.1668549 0.5215452), wk = 0.0024510 k( 353) = ( -0.5000000 0.1668549 0.5022287), wk = 0.0024510 k( 354) = ( -0.5000000 0.1668549 0.4829122), wk = 0.0024510 k( 355) = ( -0.5000000 0.1668549 0.4635957), wk = 0.0024510 k( 356) = ( -0.5000000 0.1668549 0.4442792), wk = 0.0024510 k( 357) = ( -0.5000000 0.1668549 0.4249628), wk = 0.0024510 k( 358) = ( -0.5000000 0.1668549 0.4056463), wk = 0.0024510 k( 359) = ( -0.5000000 0.1668549 0.3863298), wk = 0.0024510 k( 360) = ( -0.5000000 0.1668549 0.3670133), wk = 0.0024510 k( 361) = ( -0.5000000 0.1668549 0.3476968), wk = 0.0024510 k( 362) = ( -0.5000000 0.1668549 0.3283803), wk = 0.0024510 k( 363) = ( -0.5000000 0.1668549 0.3090638), wk = 0.0024510 k( 364) = ( -0.5000000 0.1668549 0.2897473), wk = 0.0024510 k( 365) = ( -0.5000000 0.1668549 0.2704308), wk = 0.0024510 k( 366) = ( -0.5000000 0.1668549 0.2511144), wk = 0.0024510 k( 367) = ( -0.5000000 0.1668549 0.2317979), wk = 0.0024510 k( 368) = ( -0.5000000 0.1668549 0.2124814), wk = 0.0024510 k( 369) = ( -0.5000000 0.1668549 0.1931649), wk = 0.0024510 k( 370) = ( -0.5000000 0.1668549 0.1738484), wk = 0.0024510 k( 371) = ( -0.5000000 0.1668549 0.1545319), wk = 0.0024510 k( 372) = ( -0.5000000 0.1668549 0.1352154), wk = 0.0024510 k( 373) = ( -0.5000000 0.1668549 0.1158989), wk = 0.0024510 k( 374) = ( -0.5000000 0.1668549 0.0965824), wk = 0.0024510 k( 375) = ( -0.5000000 0.1668549 0.0772660), wk = 0.0024510 k( 376) = ( -0.5000000 0.1668549 0.0579495), wk = 0.0024510 k( 377) = ( -0.5000000 0.1668549 0.0386330), wk = 0.0024510 k( 378) = ( -0.5000000 0.1668549 0.0193165), wk = 0.0024510 k( 379) = ( -0.5000000 0.1668549 -0.0000000), wk = 0.0024510 k( 380) = ( 0.0000000 0.0000000 0.6953936), wk = 0.0024510 k( 381) = ( -0.0178571 0.0059591 0.6953936), wk = 0.0024510 k( 382) = ( -0.0357143 0.0119182 0.6953936), wk = 0.0024510 k( 383) = ( -0.0535714 0.0178773 0.6953936), wk = 0.0024510 k( 384) = ( -0.0714286 0.0238364 0.6953936), wk = 0.0024510 k( 385) = ( -0.0892857 0.0297955 0.6953936), wk = 0.0024510 k( 386) = ( -0.1071429 0.0357546 0.6953936), wk = 0.0024510 k( 387) = ( -0.1250000 0.0417137 0.6953936), wk = 0.0024510 k( 388) = ( -0.1428571 0.0476728 0.6953936), wk = 0.0024510 k( 389) = ( -0.1607143 0.0536319 0.6953936), wk = 0.0024510 k( 390) = ( -0.1785714 0.0595910 0.6953936), wk = 0.0024510 k( 391) = ( -0.1964286 0.0655501 0.6953936), wk = 0.0024510 k( 392) = ( -0.2142857 0.0715092 0.6953936), wk = 0.0024510 k( 393) = ( -0.2321429 0.0774683 0.6953936), wk = 0.0024510 k( 394) = ( -0.2500000 0.0834275 0.6953936), wk = 0.0024510 k( 395) = ( -0.2678571 0.0893866 0.6953936), wk = 0.0024510 k( 396) = ( -0.2857143 0.0953457 0.6953936), wk = 0.0024510 k( 397) = ( -0.3035714 0.1013048 0.6953936), wk = 0.0024510 k( 398) = ( -0.3214286 0.1072639 0.6953936), wk = 0.0024510 k( 399) = ( -0.3392857 0.1132230 0.6953936), wk = 0.0024510 k( 400) = ( -0.3571429 0.1191821 0.6953936), wk = 0.0024510 k( 401) = ( -0.3750000 0.1251412 0.6953936), wk = 0.0024510 k( 402) = ( -0.3928571 0.1311003 0.6953936), wk = 0.0024510 k( 403) = ( -0.4107143 0.1370594 0.6953936), wk = 0.0024510 k( 404) = ( -0.4285714 0.1430185 0.6953936), wk = 0.0024510 k( 405) = ( -0.4464286 0.1489776 0.6953936), wk = 0.0024510 k( 406) = ( -0.4642857 0.1549367 0.6953936), wk = 0.0024510 k( 407) = ( -0.4821429 0.1608958 0.6953936), wk = 0.0024510 k( 408) = ( -0.5000000 0.1668549 0.6953936), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0060400 0.0060400 0.0000000), wk = 0.0024510 k( 3) = ( 0.0120800 0.0120800 0.0000000), wk = 0.0024510 k( 4) = ( 0.0181200 0.0181200 0.0000000), wk = 0.0024510 k( 5) = ( 0.0241600 0.0241600 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0302001 0.0302001 0.0000000), wk = 0.0024510 k( 7) = ( 0.0362401 0.0362401 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0422801 0.0422801 0.0000000), wk = 0.0024510 k( 9) = ( 0.0483201 0.0483201 -0.0000000), wk = 0.0024510 k( 10) = ( 0.0543601 0.0543601 -0.0000000), wk = 0.0024510 k( 11) = ( 0.0604001 0.0604001 0.0000000), wk = 0.0024510 k( 12) = ( 0.0664401 0.0664401 -0.0000000), wk = 0.0024510 k( 13) = ( 0.0724801 0.0724802 0.0000000), wk = 0.0024510 k( 14) = ( 0.0785202 0.0785202 0.0000000), wk = 0.0024510 k( 15) = ( 0.0845602 0.0845602 -0.0000000), wk = 0.0024510 k( 16) = ( 0.0906002 0.0906002 -0.0000000), wk = 0.0024510 k( 17) = ( 0.0966402 0.0966402 0.0000000), wk = 0.0024510 k( 18) = ( 0.1026802 0.1026802 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1087202 0.1087202 -0.0000000), wk = 0.0024510 k( 20) = ( 0.1147602 0.1147602 -0.0000000), wk = 0.0024510 k( 21) = ( 0.1208002 0.1208002 0.0000000), wk = 0.0024510 k( 22) = ( 0.1268402 0.1268402 -0.0000000), wk = 0.0024510 k( 23) = ( 0.1328803 0.1328803 -0.0000000), wk = 0.0024510 k( 24) = ( 0.1389203 0.1389203 -0.0000000), wk = 0.0024510 k( 25) = ( 0.1449603 0.1449603 -0.0000000), wk = 0.0024510 k( 26) = ( 0.1510003 0.1510003 0.0000000), wk = 0.0024510 k( 27) = ( 0.1570403 0.1570403 0.0000000), wk = 0.0024510 k( 28) = ( 0.1630803 0.1630803 0.0000000), wk = 0.0024510 k( 29) = ( 0.1691203 0.1691203 -0.0000000), wk = 0.0024510 k( 30) = ( 0.1751603 0.1751603 -0.0000000), wk = 0.0024510 k( 31) = ( 0.1812004 0.1812004 -0.0000000), wk = 0.0024510 k( 32) = ( 0.1872404 0.1872404 0.0000000), wk = 0.0024510 k( 33) = ( 0.1932804 0.1932804 0.0000000), wk = 0.0024510 k( 34) = ( 0.1993204 0.1993204 0.0000000), wk = 0.0024510 k( 35) = ( 0.2053604 0.2053604 0.0000000), wk = 0.0024510 k( 36) = ( 0.2114004 0.2114004 0.0000000), wk = 0.0024510 k( 37) = ( 0.2174404 0.2174404 -0.0000000), wk = 0.0024510 k( 38) = ( 0.2234804 0.2234805 0.0000000), wk = 0.0024510 k( 39) = ( 0.2295205 0.2295205 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2355605 0.2355605 0.0000000), wk = 0.0024510 k( 41) = ( 0.2416005 0.2416005 -0.0000000), wk = 0.0024510 k( 42) = ( 0.2476405 0.2476405 0.0000000), wk = 0.0024510 k( 43) = ( 0.2536805 0.2536805 -0.0000000), wk = 0.0024510 k( 44) = ( 0.2597205 0.2597205 -0.0000000), wk = 0.0024510 k( 45) = ( 0.2657605 0.2657605 -0.0000000), wk = 0.0024510 k( 46) = ( 0.2718005 0.2718006 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2778406 0.2778406 -0.0000000), wk = 0.0024510 k( 48) = ( 0.2778406 0.2778406 -0.0000000), wk = 0.0024510 k( 49) = ( 0.2593179 0.2926512 0.0000000), wk = 0.0024510 k( 50) = ( 0.2407952 0.3074618 -0.0000000), wk = 0.0024510 k( 51) = ( 0.2222725 0.3222724 -0.0000000), wk = 0.0024510 k( 52) = ( 0.2037497 0.3370831 0.0000000), wk = 0.0024510 k( 53) = ( 0.1852270 0.3518937 0.0000000), wk = 0.0024510 k( 54) = ( 0.1667043 0.3667043 0.0000000), wk = 0.0024510 k( 55) = ( 0.1481816 0.3815150 -0.0000000), wk = 0.0024510 k( 56) = ( 0.1296589 0.3963256 0.0000000), wk = 0.0024510 k( 57) = ( 0.1111362 0.4111362 -0.0000000), wk = 0.0024510 k( 58) = ( 0.0926135 0.4259468 -0.0000000), wk = 0.0024510 k( 59) = ( 0.0740908 0.4407575 -0.0000000), wk = 0.0024510 k( 60) = ( 0.0555681 0.4555681 -0.0000000), wk = 0.0024510 k( 61) = ( 0.0370454 0.4703787 -0.0000000), wk = 0.0024510 k( 62) = ( 0.0185227 0.4851894 -0.0000000), wk = 0.0024510 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 65) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0024510 k( 66) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0024510 k( 67) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0024510 k( 68) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0024510 k( 69) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0024510 k( 70) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024510 k( 71) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0024510 k( 72) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0024510 k( 73) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024510 k( 74) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0024510 k( 75) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0024510 k( 76) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024510 k( 77) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0024510 k( 78) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0024510 k( 79) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0024510 k( 80) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0024510 k( 81) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0024510 k( 82) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024510 k( 83) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0024510 k( 84) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0024510 k( 85) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0024510 k( 86) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0024510 k( 87) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0024510 k( 88) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024510 k( 89) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0024510 k( 90) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0024510 k( 91) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024510 k( 92) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0024510 k( 93) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0024510 k( 94) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024510 k( 95) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0024510 k( 96) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0024510 k( 97) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0024510 k( 98) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0024510 k( 99) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0024510 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 102) = ( 0.0185227 0.4851894 0.5000000), wk = 0.0024510 k( 103) = ( 0.0370454 0.4703787 0.5000000), wk = 0.0024510 k( 104) = ( 0.0555681 0.4555681 0.5000000), wk = 0.0024510 k( 105) = ( 0.0740908 0.4407575 0.5000000), wk = 0.0024510 k( 106) = ( 0.0926135 0.4259468 0.5000000), wk = 0.0024510 k( 107) = ( 0.1111362 0.4111362 0.5000000), wk = 0.0024510 k( 108) = ( 0.1296589 0.3963256 0.5000000), wk = 0.0024510 k( 109) = ( 0.1481816 0.3815150 0.5000000), wk = 0.0024510 k( 110) = ( 0.1667043 0.3667043 0.5000000), wk = 0.0024510 k( 111) = ( 0.1852270 0.3518937 0.5000000), wk = 0.0024510 k( 112) = ( 0.2037497 0.3370831 0.5000000), wk = 0.0024510 k( 113) = ( 0.2222725 0.3222724 0.5000000), wk = 0.0024510 k( 114) = ( 0.2407952 0.3074618 0.5000000), wk = 0.0024510 k( 115) = ( 0.2593179 0.2926512 0.5000000), wk = 0.0024510 k( 116) = ( 0.2778406 0.2778406 0.5000000), wk = 0.0024510 k( 117) = ( 0.2778406 0.2778406 0.5000000), wk = 0.0024510 k( 118) = ( 0.2718005 0.2718006 0.5000000), wk = 0.0024510 k( 119) = ( 0.2657605 0.2657605 0.5000000), wk = 0.0024510 k( 120) = ( 0.2597205 0.2597205 0.5000000), wk = 0.0024510 k( 121) = ( 0.2536805 0.2536805 0.5000000), wk = 0.0024510 k( 122) = ( 0.2476405 0.2476405 0.5000000), wk = 0.0024510 k( 123) = ( 0.2416005 0.2416005 0.5000000), wk = 0.0024510 k( 124) = ( 0.2355605 0.2355605 0.5000000), wk = 0.0024510 k( 125) = ( 0.2295205 0.2295205 0.5000000), wk = 0.0024510 k( 126) = ( 0.2234804 0.2234805 0.5000000), wk = 0.0024510 k( 127) = ( 0.2174404 0.2174404 0.5000000), wk = 0.0024510 k( 128) = ( 0.2114004 0.2114004 0.5000000), wk = 0.0024510 k( 129) = ( 0.2053604 0.2053604 0.5000000), wk = 0.0024510 k( 130) = ( 0.1993204 0.1993204 0.5000000), wk = 0.0024510 k( 131) = ( 0.1932804 0.1932804 0.5000000), wk = 0.0024510 k( 132) = ( 0.1872404 0.1872404 0.5000000), wk = 0.0024510 k( 133) = ( 0.1812004 0.1812004 0.5000000), wk = 0.0024510 k( 134) = ( 0.1751603 0.1751603 0.5000000), wk = 0.0024510 k( 135) = ( 0.1691203 0.1691203 0.5000000), wk = 0.0024510 k( 136) = ( 0.1630803 0.1630803 0.5000000), wk = 0.0024510 k( 137) = ( 0.1570403 0.1570403 0.5000000), wk = 0.0024510 k( 138) = ( 0.1510003 0.1510003 0.5000000), wk = 0.0024510 k( 139) = ( 0.1449603 0.1449603 0.5000000), wk = 0.0024510 k( 140) = ( 0.1389203 0.1389203 0.5000000), wk = 0.0024510 k( 141) = ( 0.1328803 0.1328803 0.5000000), wk = 0.0024510 k( 142) = ( 0.1268402 0.1268402 0.5000000), wk = 0.0024510 k( 143) = ( 0.1208002 0.1208002 0.5000000), wk = 0.0024510 k( 144) = ( 0.1147602 0.1147602 0.5000000), wk = 0.0024510 k( 145) = ( 0.1087202 0.1087202 0.5000000), wk = 0.0024510 k( 146) = ( 0.1026802 0.1026802 0.5000000), wk = 0.0024510 k( 147) = ( 0.0966402 0.0966402 0.5000000), wk = 0.0024510 k( 148) = ( 0.0906002 0.0906002 0.5000000), wk = 0.0024510 k( 149) = ( 0.0845602 0.0845602 0.5000000), wk = 0.0024510 k( 150) = ( 0.0785202 0.0785202 0.5000000), wk = 0.0024510 k( 151) = ( 0.0724801 0.0724802 0.5000000), wk = 0.0024510 k( 152) = ( 0.0664401 0.0664401 0.5000000), wk = 0.0024510 k( 153) = ( 0.0604001 0.0604001 0.5000000), wk = 0.0024510 k( 154) = ( 0.0543601 0.0543601 0.5000000), wk = 0.0024510 k( 155) = ( 0.0483201 0.0483201 0.5000000), wk = 0.0024510 k( 156) = ( 0.0422801 0.0422801 0.5000000), wk = 0.0024510 k( 157) = ( 0.0362401 0.0362401 0.5000000), wk = 0.0024510 k( 158) = ( 0.0302001 0.0302001 0.5000000), wk = 0.0024510 k( 159) = ( 0.0241600 0.0241600 0.5000000), wk = 0.0024510 k( 160) = ( 0.0181200 0.0181200 0.5000000), wk = 0.0024510 k( 161) = ( 0.0120800 0.0120800 0.5000000), wk = 0.0024510 k( 162) = ( 0.0060400 0.0060400 0.5000000), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 202) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0024510 k( 203) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0024510 k( 204) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0024510 k( 205) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0024510 k( 206) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0024510 k( 207) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0024510 k( 208) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0024510 k( 209) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0024510 k( 210) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0024510 k( 211) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0024510 k( 212) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0024510 k( 213) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0024510 k( 214) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0024510 k( 215) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024510 k( 216) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0024510 k( 217) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0024510 k( 218) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0024510 k( 219) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0024510 k( 220) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0024510 k( 221) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024510 k( 222) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0024510 k( 223) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0024510 k( 224) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0024510 k( 225) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024510 k( 226) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0024510 k( 227) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0024510 k( 228) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0024510 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 230) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 231) = ( -0.4939957 0.5060043 0.0000000), wk = 0.0024510 k( 232) = ( -0.4879914 0.5120086 -0.0000000), wk = 0.0024510 k( 233) = ( -0.4819871 0.5180129 0.0000000), wk = 0.0024510 k( 234) = ( -0.4759828 0.5240172 -0.0000000), wk = 0.0024510 k( 235) = ( -0.4699784 0.5300215 -0.0000000), wk = 0.0024510 k( 236) = ( -0.4639741 0.5360259 -0.0000000), wk = 0.0024510 k( 237) = ( -0.4579698 0.5420302 -0.0000000), wk = 0.0024510 k( 238) = ( -0.4519655 0.5480345 -0.0000000), wk = 0.0024510 k( 239) = ( -0.4459612 0.5540388 -0.0000000), wk = 0.0024510 k( 240) = ( -0.4399569 0.5600431 -0.0000000), wk = 0.0024510 k( 241) = ( -0.4339526 0.5660474 -0.0000000), wk = 0.0024510 k( 242) = ( -0.4279483 0.5720517 -0.0000000), wk = 0.0024510 k( 243) = ( -0.4219440 0.5780560 -0.0000000), wk = 0.0024510 k( 244) = ( -0.4159397 0.5840603 -0.0000000), wk = 0.0024510 k( 245) = ( -0.4099354 0.5900646 -0.0000000), wk = 0.0024510 k( 246) = ( -0.4039311 0.5960690 -0.0000000), wk = 0.0024510 k( 247) = ( -0.3979267 0.6020733 -0.0000000), wk = 0.0024510 k( 248) = ( -0.3919224 0.6080776 0.0000000), wk = 0.0024510 k( 249) = ( -0.3859181 0.6140819 -0.0000000), wk = 0.0024510 k( 250) = ( -0.3799138 0.6200862 0.0000000), wk = 0.0024510 k( 251) = ( -0.3739095 0.6260905 0.0000000), wk = 0.0024510 k( 252) = ( -0.3679052 0.6320948 -0.0000000), wk = 0.0024510 k( 253) = ( -0.3619009 0.6380991 0.0000000), wk = 0.0024510 k( 254) = ( -0.3558966 0.6441034 -0.0000000), wk = 0.0024510 k( 255) = ( -0.3498923 0.6501077 0.0000000), wk = 0.0024510 k( 256) = ( -0.3438880 0.6561120 -0.0000000), wk = 0.0024510 k( 257) = ( -0.3378836 0.6621164 0.0000000), wk = 0.0024510 k( 258) = ( -0.3318793 0.6681207 0.0000000), wk = 0.0024510 k( 259) = ( -0.3258750 0.6741250 0.0000000), wk = 0.0024510 k( 260) = ( -0.3198707 0.6801293 -0.0000000), wk = 0.0024510 k( 261) = ( -0.3138664 0.6861336 0.0000000), wk = 0.0024510 k( 262) = ( -0.3078621 0.6921379 0.0000000), wk = 0.0024510 k( 263) = ( -0.3018578 0.6981422 0.0000000), wk = 0.0024510 k( 264) = ( -0.2958535 0.7041465 -0.0000000), wk = 0.0024510 k( 265) = ( -0.2898492 0.7101508 -0.0000000), wk = 0.0024510 k( 266) = ( -0.2838449 0.7161551 -0.0000000), wk = 0.0024510 k( 267) = ( -0.2778406 0.7221594 0.0000000), wk = 0.0024510 k( 268) = ( -0.2778406 0.7221594 0.0000000), wk = 0.0024510 k( 269) = ( -0.2778406 0.7221594 0.0138889), wk = 0.0024510 k( 270) = ( -0.2778406 0.7221594 0.0277778), wk = 0.0024510 k( 271) = ( -0.2778406 0.7221594 0.0416667), wk = 0.0024510 k( 272) = ( -0.2778406 0.7221594 0.0555556), wk = 0.0024510 k( 273) = ( -0.2778406 0.7221594 0.0694444), wk = 0.0024510 k( 274) = ( -0.2778406 0.7221594 0.0833333), wk = 0.0024510 k( 275) = ( -0.2778406 0.7221594 0.0972222), wk = 0.0024510 k( 276) = ( -0.2778406 0.7221594 0.1111111), wk = 0.0024510 k( 277) = ( -0.2778406 0.7221594 0.1250000), wk = 0.0024510 k( 278) = ( -0.2778406 0.7221594 0.1388889), wk = 0.0024510 k( 279) = ( -0.2778406 0.7221594 0.1527778), wk = 0.0024510 k( 280) = ( -0.2778406 0.7221594 0.1666667), wk = 0.0024510 k( 281) = ( -0.2778406 0.7221594 0.1805556), wk = 0.0024510 k( 282) = ( -0.2778406 0.7221594 0.1944444), wk = 0.0024510 k( 283) = ( -0.2778406 0.7221594 0.2083333), wk = 0.0024510 k( 284) = ( -0.2778406 0.7221594 0.2222222), wk = 0.0024510 k( 285) = ( -0.2778406 0.7221594 0.2361111), wk = 0.0024510 k( 286) = ( -0.2778406 0.7221594 0.2500000), wk = 0.0024510 k( 287) = ( -0.2778406 0.7221594 0.2638889), wk = 0.0024510 k( 288) = ( -0.2778406 0.7221594 0.2777778), wk = 0.0024510 k( 289) = ( -0.2778406 0.7221594 0.2916667), wk = 0.0024510 k( 290) = ( -0.2778406 0.7221594 0.3055556), wk = 0.0024510 k( 291) = ( -0.2778406 0.7221594 0.3194444), wk = 0.0024510 k( 292) = ( -0.2778406 0.7221594 0.3333333), wk = 0.0024510 k( 293) = ( -0.2778406 0.7221594 0.3472222), wk = 0.0024510 k( 294) = ( -0.2778406 0.7221594 0.3611111), wk = 0.0024510 k( 295) = ( -0.2778406 0.7221594 0.3750000), wk = 0.0024510 k( 296) = ( -0.2778406 0.7221594 0.3888889), wk = 0.0024510 k( 297) = ( -0.2778406 0.7221594 0.4027778), wk = 0.0024510 k( 298) = ( -0.2778406 0.7221594 0.4166667), wk = 0.0024510 k( 299) = ( -0.2778406 0.7221594 0.4305556), wk = 0.0024510 k( 300) = ( -0.2778406 0.7221594 0.4444444), wk = 0.0024510 k( 301) = ( -0.2778406 0.7221594 0.4583333), wk = 0.0024510 k( 302) = ( -0.2778406 0.7221594 0.4722222), wk = 0.0024510 k( 303) = ( -0.2778406 0.7221594 0.4861111), wk = 0.0024510 k( 304) = ( -0.2778406 0.7221594 0.5000000), wk = 0.0024510 k( 305) = ( -0.2778406 0.7221594 0.5000000), wk = 0.0024510 k( 306) = ( -0.2838449 0.7161551 0.5000000), wk = 0.0024510 k( 307) = ( -0.2898492 0.7101508 0.5000000), wk = 0.0024510 k( 308) = ( -0.2958535 0.7041465 0.5000000), wk = 0.0024510 k( 309) = ( -0.3018578 0.6981422 0.5000000), wk = 0.0024510 k( 310) = ( -0.3078621 0.6921379 0.5000000), wk = 0.0024510 k( 311) = ( -0.3138664 0.6861336 0.5000000), wk = 0.0024510 k( 312) = ( -0.3198707 0.6801293 0.5000000), wk = 0.0024510 k( 313) = ( -0.3258750 0.6741250 0.5000000), wk = 0.0024510 k( 314) = ( -0.3318793 0.6681207 0.5000000), wk = 0.0024510 k( 315) = ( -0.3378836 0.6621164 0.5000000), wk = 0.0024510 k( 316) = ( -0.3438880 0.6561120 0.5000000), wk = 0.0024510 k( 317) = ( -0.3498923 0.6501077 0.5000000), wk = 0.0024510 k( 318) = ( -0.3558966 0.6441034 0.5000000), wk = 0.0024510 k( 319) = ( -0.3619009 0.6380991 0.5000000), wk = 0.0024510 k( 320) = ( -0.3679052 0.6320948 0.5000000), wk = 0.0024510 k( 321) = ( -0.3739095 0.6260905 0.5000000), wk = 0.0024510 k( 322) = ( -0.3799138 0.6200862 0.5000000), wk = 0.0024510 k( 323) = ( -0.3859181 0.6140819 0.5000000), wk = 0.0024510 k( 324) = ( -0.3919224 0.6080776 0.5000000), wk = 0.0024510 k( 325) = ( -0.3979267 0.6020733 0.5000000), wk = 0.0024510 k( 326) = ( -0.4039311 0.5960690 0.5000000), wk = 0.0024510 k( 327) = ( -0.4099354 0.5900646 0.5000000), wk = 0.0024510 k( 328) = ( -0.4159397 0.5840603 0.5000000), wk = 0.0024510 k( 329) = ( -0.4219440 0.5780560 0.5000000), wk = 0.0024510 k( 330) = ( -0.4279483 0.5720517 0.5000000), wk = 0.0024510 k( 331) = ( -0.4339526 0.5660474 0.5000000), wk = 0.0024510 k( 332) = ( -0.4399569 0.5600431 0.5000000), wk = 0.0024510 k( 333) = ( -0.4459612 0.5540388 0.5000000), wk = 0.0024510 k( 334) = ( -0.4519655 0.5480345 0.5000000), wk = 0.0024510 k( 335) = ( -0.4579698 0.5420302 0.5000000), wk = 0.0024510 k( 336) = ( -0.4639741 0.5360259 0.5000000), wk = 0.0024510 k( 337) = ( -0.4699784 0.5300215 0.5000000), wk = 0.0024510 k( 338) = ( -0.4759828 0.5240172 0.5000000), wk = 0.0024510 k( 339) = ( -0.4819871 0.5180129 0.5000000), wk = 0.0024510 k( 340) = ( -0.4879914 0.5120086 0.5000000), wk = 0.0024510 k( 341) = ( -0.4939957 0.5060043 0.5000000), wk = 0.0024510 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 343) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 344) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0024510 k( 345) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0024510 k( 346) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0024510 k( 347) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0024510 k( 348) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0024510 k( 349) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0024510 k( 350) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0024510 k( 351) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0024510 k( 352) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024510 k( 353) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0024510 k( 354) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0024510 k( 355) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024510 k( 356) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0024510 k( 357) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0024510 k( 358) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0024510 k( 359) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0024510 k( 360) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0024510 k( 361) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024510 k( 362) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0024510 k( 363) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0024510 k( 364) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0024510 k( 365) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0024510 k( 366) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0024510 k( 367) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024510 k( 368) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0024510 k( 369) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0024510 k( 370) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024510 k( 371) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0024510 k( 372) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0024510 k( 373) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0024510 k( 374) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0024510 k( 375) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0024510 k( 376) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0024510 k( 377) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0024510 k( 378) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0024510 k( 379) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 380) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 381) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0024510 k( 382) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0024510 k( 383) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0024510 k( 384) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024510 k( 385) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0024510 k( 386) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0024510 k( 387) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024510 k( 388) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024510 k( 389) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0024510 k( 390) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0024510 k( 391) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0024510 k( 392) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024510 k( 393) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0024510 k( 394) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024510 k( 395) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0024510 k( 396) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024510 k( 397) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0024510 k( 398) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0024510 k( 399) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0024510 k( 400) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024510 k( 401) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024510 k( 402) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0024510 k( 403) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0024510 k( 404) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024510 k( 405) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0024510 k( 406) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0024510 k( 407) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0024510 k( 408) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 Dense grid: 46621 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 21893 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 166, 36) NL pseudopotentials 0.17 Mb ( 83, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1296) G-vector shells 0.01 Mb ( 662) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 166, 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 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 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 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 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 6.6 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 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.4 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 8.9 secs Computing kpt #: 29 total cpu time spent up to now is 9.1 secs Computing kpt #: 30 total cpu time spent up to now is 9.3 secs Computing kpt #: 31 total cpu time spent up to now is 9.5 secs Computing kpt #: 32 total cpu time spent up to now is 9.7 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.1 secs Computing kpt #: 35 total cpu time spent up to now is 10.3 secs Computing kpt #: 36 total cpu time spent up to now is 10.5 secs Computing kpt #: 37 total cpu time spent up to now is 10.7 secs Computing kpt #: 38 total cpu time spent up to now is 10.9 secs Computing kpt #: 39 total cpu time spent up to now is 11.1 secs Computing kpt #: 40 total cpu time spent up to now is 11.3 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.7 secs Computing kpt #: 43 total cpu time spent up to now is 11.9 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.6 secs Computing kpt #: 47 total cpu time spent up to now is 12.8 secs Computing kpt #: 48 total cpu time spent up to now is 13.0 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 13.9 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 16.4 secs Computing kpt #: 65 total cpu time spent up to now is 16.6 secs Computing kpt #: 66 total cpu time spent up to now is 16.8 secs Computing kpt #: 67 total cpu time spent up to now is 17.1 secs Computing kpt #: 68 total cpu time spent up to now is 17.3 secs Computing kpt #: 69 total cpu time spent up to now is 17.5 secs Computing kpt #: 70 total cpu time spent up to now is 17.7 secs Computing kpt #: 71 total cpu time spent up to now is 17.9 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 18.8 secs Computing kpt #: 76 total cpu time spent up to now is 19.0 secs Computing kpt #: 77 total cpu time spent up to now is 19.2 secs Computing kpt #: 78 total cpu time spent up to now is 19.4 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 19.9 secs Computing kpt #: 81 total cpu time spent up to now is 20.1 secs Computing kpt #: 82 total cpu time spent up to now is 20.3 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 21.3 secs Computing kpt #: 87 total cpu time spent up to now is 21.5 secs Computing kpt #: 88 total cpu time spent up to now is 21.8 secs Computing kpt #: 89 total cpu time spent up to now is 22.0 secs Computing kpt #: 90 total cpu time spent up to now is 22.3 secs Computing kpt #: 91 total cpu time spent up to now is 22.5 secs Computing kpt #: 92 total cpu time spent up to now is 22.8 secs Computing kpt #: 93 total cpu time spent up to now is 23.0 secs Computing kpt #: 94 total cpu time spent up to now is 23.3 secs Computing kpt #: 95 total cpu time spent up to now is 23.6 secs Computing kpt #: 96 total cpu time spent up to now is 23.8 secs Computing kpt #: 97 total cpu time spent up to now is 24.1 secs Computing kpt #: 98 total cpu time spent up to now is 24.4 secs Computing kpt #: 99 total cpu time spent up to now is 24.7 secs Computing kpt #: 100 total cpu time spent up to now is 25.0 secs Computing kpt #: 101 total cpu time spent up to now is 25.3 secs Computing kpt #: 102 total cpu time spent up to now is 25.5 secs Computing kpt #: 103 total cpu time spent up to now is 25.8 secs Computing kpt #: 104 total cpu time spent up to now is 26.0 secs Computing kpt #: 105 total cpu time spent up to now is 26.3 secs Computing kpt #: 106 total cpu time spent up to now is 26.6 secs Computing kpt #: 107 total cpu time spent up to now is 26.8 secs Computing kpt #: 108 total cpu time spent up to now is 27.1 secs Computing kpt #: 109 total cpu time spent up to now is 27.4 secs Computing kpt #: 110 total cpu time spent up to now is 27.7 secs Computing kpt #: 111 total cpu time spent up to now is 28.0 secs Computing kpt #: 112 total cpu time spent up to now is 28.3 secs Computing kpt #: 113 total cpu time spent up to now is 28.6 secs Computing kpt #: 114 total cpu time spent up to now is 28.9 secs Computing kpt #: 115 total cpu time spent up to now is 29.2 secs Computing kpt #: 116 total cpu time spent up to now is 29.5 secs Computing kpt #: 117 total cpu time spent up to now is 29.8 secs Computing kpt #: 118 total cpu time spent up to now is 30.1 secs Computing kpt #: 119 total cpu time spent up to now is 30.4 secs Computing kpt #: 120 total cpu time spent up to now is 30.7 secs Computing kpt #: 121 total cpu time spent up to now is 31.0 secs Computing kpt #: 122 total cpu time spent up to now is 31.3 secs Computing kpt #: 123 total cpu time spent up to now is 31.6 secs Computing kpt #: 124 total cpu time spent up to now is 31.9 secs Computing kpt #: 125 total cpu time spent up to now is 32.2 secs Computing kpt #: 126 total cpu time spent up to now is 32.5 secs Computing kpt #: 127 total cpu time spent up to now is 32.8 secs Computing kpt #: 128 total cpu time spent up to now is 33.2 secs Computing kpt #: 129 total cpu time spent up to now is 33.5 secs Computing kpt #: 130 total cpu time spent up to now is 33.8 secs Computing kpt #: 131 total cpu time spent up to now is 34.1 secs Computing kpt #: 132 total cpu time spent up to now is 34.4 secs Computing kpt #: 133 total cpu time spent up to now is 34.7 secs Computing kpt #: 134 total cpu time spent up to now is 35.0 secs Computing kpt #: 135 total cpu time spent up to now is 35.3 secs Computing kpt #: 136 total cpu time spent up to now is 35.6 secs Computing kpt #: 137 total cpu time spent up to now is 35.9 secs Computing kpt #: 138 total cpu time spent up to now is 36.3 secs Computing kpt #: 139 total cpu time spent up to now is 36.6 secs Computing kpt #: 140 total cpu time spent up to now is 36.9 secs Computing kpt #: 141 total cpu time spent up to now is 37.2 secs Computing kpt #: 142 total cpu time spent up to now is 37.5 secs Computing kpt #: 143 total cpu time spent up to now is 37.8 secs Computing kpt #: 144 total cpu time spent up to now is 38.1 secs Computing kpt #: 145 total cpu time spent up to now is 38.4 secs Computing kpt #: 146 total cpu time spent up to now is 38.7 secs Computing kpt #: 147 total cpu time spent up to now is 39.0 secs Computing kpt #: 148 total cpu time spent up to now is 39.3 secs Computing kpt #: 149 total cpu time spent up to now is 39.6 secs Computing kpt #: 150 total cpu time spent up to now is 39.8 secs Computing kpt #: 151 total cpu time spent up to now is 40.1 secs Computing kpt #: 152 total cpu time spent up to now is 40.4 secs Computing kpt #: 153 total cpu time spent up to now is 40.7 secs Computing kpt #: 154 total cpu time spent up to now is 41.0 secs Computing kpt #: 155 total cpu time spent up to now is 41.3 secs Computing kpt #: 156 total cpu time spent up to now is 41.6 secs Computing kpt #: 157 total cpu time spent up to now is 41.8 secs Computing kpt #: 158 total cpu time spent up to now is 42.1 secs Computing kpt #: 159 total cpu time spent up to now is 42.3 secs Computing kpt #: 160 total cpu time spent up to now is 42.6 secs Computing kpt #: 161 total cpu time spent up to now is 42.8 secs Computing kpt #: 162 total cpu time spent up to now is 43.0 secs Computing kpt #: 163 total cpu time spent up to now is 43.3 secs Computing kpt #: 164 total cpu time spent up to now is 43.5 secs Computing kpt #: 165 total cpu time spent up to now is 43.7 secs Computing kpt #: 166 total cpu time spent up to now is 43.9 secs Computing kpt #: 167 total cpu time spent up to now is 44.2 secs Computing kpt #: 168 total cpu time spent up to now is 44.4 secs Computing kpt #: 169 total cpu time spent up to now is 44.7 secs Computing kpt #: 170 total cpu time spent up to now is 45.0 secs Computing kpt #: 171 total cpu time spent up to now is 45.3 secs Computing kpt #: 172 total cpu time spent up to now is 45.6 secs Computing kpt #: 173 total cpu time spent up to now is 45.9 secs Computing kpt #: 174 total cpu time spent up to now is 46.2 secs Computing kpt #: 175 total cpu time spent up to now is 46.5 secs Computing kpt #: 176 total cpu time spent up to now is 46.8 secs Computing kpt #: 177 total cpu time spent up to now is 47.1 secs Computing kpt #: 178 total cpu time spent up to now is 47.3 secs Computing kpt #: 179 total cpu time spent up to now is 47.6 secs Computing kpt #: 180 total cpu time spent up to now is 47.9 secs Computing kpt #: 181 total cpu time spent up to now is 48.2 secs Computing kpt #: 182 total cpu time spent up to now is 48.5 secs Computing kpt #: 183 total cpu time spent up to now is 48.8 secs Computing kpt #: 184 total cpu time spent up to now is 49.1 secs Computing kpt #: 185 total cpu time spent up to now is 49.4 secs Computing kpt #: 186 total cpu time spent up to now is 49.7 secs Computing kpt #: 187 total cpu time spent up to now is 50.0 secs Computing kpt #: 188 total cpu time spent up to now is 50.4 secs Computing kpt #: 189 total cpu time spent up to now is 50.6 secs Computing kpt #: 190 total cpu time spent up to now is 50.9 secs Computing kpt #: 191 total cpu time spent up to now is 51.2 secs Computing kpt #: 192 total cpu time spent up to now is 51.5 secs Computing kpt #: 193 total cpu time spent up to now is 51.7 secs Computing kpt #: 194 total cpu time spent up to now is 51.9 secs Computing kpt #: 195 total cpu time spent up to now is 52.2 secs Computing kpt #: 196 total cpu time spent up to now is 52.4 secs Computing kpt #: 197 total cpu time spent up to now is 52.7 secs Computing kpt #: 198 total cpu time spent up to now is 52.9 secs Computing kpt #: 199 total cpu time spent up to now is 53.1 secs Computing kpt #: 200 total cpu time spent up to now is 53.3 secs Computing kpt #: 201 total cpu time spent up to now is 53.6 secs Computing kpt #: 202 total cpu time spent up to now is 53.8 secs Computing kpt #: 203 total cpu time spent up to now is 54.0 secs Computing kpt #: 204 total cpu time spent up to now is 54.3 secs Computing kpt #: 205 total cpu time spent up to now is 54.5 secs Computing kpt #: 206 total cpu time spent up to now is 54.8 secs Computing kpt #: 207 total cpu time spent up to now is 55.0 secs Computing kpt #: 208 total cpu time spent up to now is 55.2 secs Computing kpt #: 209 total cpu time spent up to now is 55.5 secs Computing kpt #: 210 total cpu time spent up to now is 55.7 secs Computing kpt #: 211 total cpu time spent up to now is 56.0 secs Computing kpt #: 212 total cpu time spent up to now is 56.3 secs Computing kpt #: 213 total cpu time spent up to now is 56.6 secs Computing kpt #: 214 total cpu time spent up to now is 56.9 secs Computing kpt #: 215 total cpu time spent up to now is 57.1 secs Computing kpt #: 216 total cpu time spent up to now is 57.4 secs Computing kpt #: 217 total cpu time spent up to now is 57.6 secs Computing kpt #: 218 total cpu time spent up to now is 57.8 secs Computing kpt #: 219 total cpu time spent up to now is 58.1 secs Computing kpt #: 220 total cpu time spent up to now is 58.3 secs Computing kpt #: 221 total cpu time spent up to now is 58.5 secs Computing kpt #: 222 total cpu time spent up to now is 58.7 secs Computing kpt #: 223 total cpu time spent up to now is 59.7 secs Computing kpt #: 224 total cpu time spent up to now is 59.9 secs Computing kpt #: 225 total cpu time spent up to now is 60.1 secs Computing kpt #: 226 total cpu time spent up to now is 60.3 secs Computing kpt #: 227 total cpu time spent up to now is 60.5 secs Computing kpt #: 228 total cpu time spent up to now is 60.8 secs Computing kpt #: 229 total cpu time spent up to now is 61.0 secs Computing kpt #: 230 total cpu time spent up to now is 61.2 secs Computing kpt #: 231 total cpu time spent up to now is 61.4 secs Computing kpt #: 232 total cpu time spent up to now is 61.6 secs Computing kpt #: 233 total cpu time spent up to now is 61.8 secs Computing kpt #: 234 total cpu time spent up to now is 62.1 secs Computing kpt #: 235 total cpu time spent up to now is 62.3 secs Computing kpt #: 236 total cpu time spent up to now is 62.5 secs Computing kpt #: 237 total cpu time spent up to now is 62.7 secs Computing kpt #: 238 total cpu time spent up to now is 63.0 secs Computing kpt #: 239 total cpu time spent up to now is 63.2 secs Computing kpt #: 240 total cpu time spent up to now is 63.4 secs Computing kpt #: 241 total cpu time spent up to now is 63.6 secs Computing kpt #: 242 total cpu time spent up to now is 63.9 secs Computing kpt #: 243 total cpu time spent up to now is 64.1 secs Computing kpt #: 244 total cpu time spent up to now is 64.3 secs Computing kpt #: 245 total cpu time spent up to now is 64.5 secs Computing kpt #: 246 total cpu time spent up to now is 64.8 secs Computing kpt #: 247 total cpu time spent up to now is 65.0 secs Computing kpt #: 248 total cpu time spent up to now is 65.3 secs Computing kpt #: 249 total cpu time spent up to now is 65.5 secs Computing kpt #: 250 total cpu time spent up to now is 65.8 secs Computing kpt #: 251 total cpu time spent up to now is 66.1 secs Computing kpt #: 252 total cpu time spent up to now is 66.4 secs Computing kpt #: 253 total cpu time spent up to now is 66.6 secs Computing kpt #: 254 total cpu time spent up to now is 66.9 secs Computing kpt #: 255 total cpu time spent up to now is 67.1 secs Computing kpt #: 256 total cpu time spent up to now is 67.4 secs Computing kpt #: 257 total cpu time spent up to now is 67.6 secs Computing kpt #: 258 total cpu time spent up to now is 67.9 secs Computing kpt #: 259 total cpu time spent up to now is 68.3 secs Computing kpt #: 260 total cpu time spent up to now is 68.6 secs Computing kpt #: 261 total cpu time spent up to now is 68.8 secs Computing kpt #: 262 total cpu time spent up to now is 69.0 secs Computing kpt #: 263 total cpu time spent up to now is 69.2 secs Computing kpt #: 264 total cpu time spent up to now is 69.5 secs Computing kpt #: 265 total cpu time spent up to now is 69.7 secs Computing kpt #: 266 total cpu time spent up to now is 69.9 secs Computing kpt #: 267 total cpu time spent up to now is 70.1 secs Computing kpt #: 268 total cpu time spent up to now is 70.3 secs Computing kpt #: 269 total cpu time spent up to now is 70.5 secs Computing kpt #: 270 total cpu time spent up to now is 70.7 secs Computing kpt #: 271 total cpu time spent up to now is 71.0 secs Computing kpt #: 272 total cpu time spent up to now is 71.3 secs Computing kpt #: 273 total cpu time spent up to now is 71.5 secs Computing kpt #: 274 total cpu time spent up to now is 71.7 secs Computing kpt #: 275 total cpu time spent up to now is 72.0 secs Computing kpt #: 276 total cpu time spent up to now is 72.2 secs Computing kpt #: 277 total cpu time spent up to now is 72.5 secs Computing kpt #: 278 total cpu time spent up to now is 72.7 secs Computing kpt #: 279 total cpu time spent up to now is 73.0 secs Computing kpt #: 280 total cpu time spent up to now is 73.3 secs Computing kpt #: 281 total cpu time spent up to now is 73.6 secs Computing kpt #: 282 total cpu time spent up to now is 73.8 secs Computing kpt #: 283 total cpu time spent up to now is 74.1 secs Computing kpt #: 284 total cpu time spent up to now is 74.4 secs Computing kpt #: 285 total cpu time spent up to now is 74.7 secs Computing kpt #: 286 total cpu time spent up to now is 74.9 secs Computing kpt #: 287 total cpu time spent up to now is 75.2 secs Computing kpt #: 288 total cpu time spent up to now is 75.5 secs Computing kpt #: 289 total cpu time spent up to now is 75.8 secs Computing kpt #: 290 total cpu time spent up to now is 76.1 secs Computing kpt #: 291 total cpu time spent up to now is 76.3 secs Computing kpt #: 292 total cpu time spent up to now is 76.6 secs Computing kpt #: 293 total cpu time spent up to now is 76.9 secs Computing kpt #: 294 total cpu time spent up to now is 77.2 secs Computing kpt #: 295 total cpu time spent up to now is 77.5 secs Computing kpt #: 296 total cpu time spent up to now is 77.8 secs Computing kpt #: 297 total cpu time spent up to now is 78.1 secs Computing kpt #: 298 total cpu time spent up to now is 78.4 secs Computing kpt #: 299 total cpu time spent up to now is 78.7 secs Computing kpt #: 300 total cpu time spent up to now is 79.0 secs Computing kpt #: 301 total cpu time spent up to now is 79.3 secs Computing kpt #: 302 total cpu time spent up to now is 79.6 secs Computing kpt #: 303 total cpu time spent up to now is 79.9 secs Computing kpt #: 304 total cpu time spent up to now is 80.2 secs Computing kpt #: 305 total cpu time spent up to now is 80.5 secs Computing kpt #: 306 total cpu time spent up to now is 80.8 secs Computing kpt #: 307 total cpu time spent up to now is 81.1 secs Computing kpt #: 308 total cpu time spent up to now is 81.4 secs Computing kpt #: 309 total cpu time spent up to now is 81.7 secs Computing kpt #: 310 total cpu time spent up to now is 82.0 secs Computing kpt #: 311 total cpu time spent up to now is 82.2 secs Computing kpt #: 312 total cpu time spent up to now is 82.4 secs Computing kpt #: 313 total cpu time spent up to now is 82.7 secs Computing kpt #: 314 total cpu time spent up to now is 82.9 secs Computing kpt #: 315 total cpu time spent up to now is 83.2 secs Computing kpt #: 316 total cpu time spent up to now is 83.4 secs Computing kpt #: 317 total cpu time spent up to now is 83.6 secs Computing kpt #: 318 total cpu time spent up to now is 83.9 secs Computing kpt #: 319 total cpu time spent up to now is 84.1 secs Computing kpt #: 320 total cpu time spent up to now is 84.3 secs Computing kpt #: 321 total cpu time spent up to now is 84.5 secs Computing kpt #: 322 total cpu time spent up to now is 84.8 secs Computing kpt #: 323 total cpu time spent up to now is 85.0 secs Computing kpt #: 324 total cpu time spent up to now is 85.2 secs Computing kpt #: 325 total cpu time spent up to now is 85.4 secs Computing kpt #: 326 total cpu time spent up to now is 85.6 secs Computing kpt #: 327 total cpu time spent up to now is 85.8 secs Computing kpt #: 328 total cpu time spent up to now is 86.0 secs Computing kpt #: 329 total cpu time spent up to now is 86.2 secs Computing kpt #: 330 total cpu time spent up to now is 86.4 secs Computing kpt #: 331 total cpu time spent up to now is 86.6 secs Computing kpt #: 332 total cpu time spent up to now is 86.8 secs Computing kpt #: 333 total cpu time spent up to now is 87.0 secs Computing kpt #: 334 total cpu time spent up to now is 87.2 secs Computing kpt #: 335 total cpu time spent up to now is 87.4 secs Computing kpt #: 336 total cpu time spent up to now is 87.6 secs Computing kpt #: 337 total cpu time spent up to now is 87.8 secs Computing kpt #: 338 total cpu time spent up to now is 88.1 secs Computing kpt #: 339 total cpu time spent up to now is 88.3 secs Computing kpt #: 340 total cpu time spent up to now is 88.5 secs Computing kpt #: 341 total cpu time spent up to now is 88.8 secs Computing kpt #: 342 total cpu time spent up to now is 89.0 secs Computing kpt #: 343 total cpu time spent up to now is 89.3 secs Computing kpt #: 344 total cpu time spent up to now is 89.6 secs Computing kpt #: 345 total cpu time spent up to now is 89.8 secs Computing kpt #: 346 total cpu time spent up to now is 90.0 secs Computing kpt #: 347 total cpu time spent up to now is 90.3 secs Computing kpt #: 348 total cpu time spent up to now is 90.5 secs Computing kpt #: 349 total cpu time spent up to now is 90.7 secs Computing kpt #: 350 total cpu time spent up to now is 91.0 secs Computing kpt #: 351 total cpu time spent up to now is 91.2 secs Computing kpt #: 352 total cpu time spent up to now is 91.4 secs Computing kpt #: 353 total cpu time spent up to now is 91.6 secs Computing kpt #: 354 total cpu time spent up to now is 91.9 secs Computing kpt #: 355 total cpu time spent up to now is 92.1 secs Computing kpt #: 356 total cpu time spent up to now is 92.3 secs Computing kpt #: 357 total cpu time spent up to now is 92.5 secs Computing kpt #: 358 total cpu time spent up to now is 92.8 secs Computing kpt #: 359 total cpu time spent up to now is 93.0 secs Computing kpt #: 360 total cpu time spent up to now is 93.3 secs Computing kpt #: 361 total cpu time spent up to now is 93.5 secs Computing kpt #: 362 total cpu time spent up to now is 93.8 secs Computing kpt #: 363 total cpu time spent up to now is 94.0 secs Computing kpt #: 364 total cpu time spent up to now is 94.3 secs Computing kpt #: 365 total cpu time spent up to now is 94.5 secs Computing kpt #: 366 total cpu time spent up to now is 94.8 secs Computing kpt #: 367 total cpu time spent up to now is 95.0 secs Computing kpt #: 368 total cpu time spent up to now is 95.3 secs Computing kpt #: 369 total cpu time spent up to now is 95.5 secs Computing kpt #: 370 total cpu time spent up to now is 95.8 secs Computing kpt #: 371 total cpu time spent up to now is 96.0 secs Computing kpt #: 372 total cpu time spent up to now is 96.2 secs Computing kpt #: 373 total cpu time spent up to now is 96.5 secs Computing kpt #: 374 total cpu time spent up to now is 96.7 secs Computing kpt #: 375 total cpu time spent up to now is 96.9 secs Computing kpt #: 376 total cpu time spent up to now is 97.1 secs Computing kpt #: 377 total cpu time spent up to now is 97.3 secs Computing kpt #: 378 total cpu time spent up to now is 97.6 secs Computing kpt #: 379 total cpu time spent up to now is 97.8 secs Computing kpt #: 380 total cpu time spent up to now is 98.0 secs Computing kpt #: 381 total cpu time spent up to now is 98.2 secs Computing kpt #: 382 total cpu time spent up to now is 98.4 secs Computing kpt #: 383 total cpu time spent up to now is 98.7 secs Computing kpt #: 384 total cpu time spent up to now is 98.9 secs Computing kpt #: 385 total cpu time spent up to now is 99.2 secs Computing kpt #: 386 total cpu time spent up to now is 99.4 secs Computing kpt #: 387 total cpu time spent up to now is 99.7 secs Computing kpt #: 388 total cpu time spent up to now is 99.9 secs Computing kpt #: 389 total cpu time spent up to now is 100.2 secs Computing kpt #: 390 total cpu time spent up to now is 100.5 secs Computing kpt #: 391 total cpu time spent up to now is 100.7 secs Computing kpt #: 392 total cpu time spent up to now is 101.0 secs Computing kpt #: 393 total cpu time spent up to now is 101.3 secs Computing kpt #: 394 total cpu time spent up to now is 101.6 secs Computing kpt #: 395 total cpu time spent up to now is 101.9 secs Computing kpt #: 396 total cpu time spent up to now is 102.1 secs Computing kpt #: 397 total cpu time spent up to now is 102.4 secs Computing kpt #: 398 total cpu time spent up to now is 102.7 secs Computing kpt #: 399 total cpu time spent up to now is 102.9 secs Computing kpt #: 400 total cpu time spent up to now is 103.2 secs Computing kpt #: 401 total cpu time spent up to now is 103.5 secs Computing kpt #: 402 total cpu time spent up to now is 103.8 secs Computing kpt #: 403 total cpu time spent up to now is 104.1 secs Computing kpt #: 404 total cpu time spent up to now is 104.4 secs Computing kpt #: 405 total cpu time spent up to now is 104.6 secs Computing kpt #: 406 total cpu time spent up to now is 105.0 secs Computing kpt #: 407 total cpu time spent up to now is 105.3 secs Computing kpt #: 408 total cpu time spent up to now is 105.6 secs ethr = 3.57E-08, avg # of iterations = 18.8 total cpu time spent up to now is 105.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8834 -14.8834 -14.7671 -14.7671 -13.5016 -13.5016 -13.4046 -13.4046 -13.3292 -13.3292 -13.3020 -13.3020 1.1165 1.1165 4.6814 4.6814 6.8355 6.8355 7.7037 7.7037 7.8430 7.8430 9.2212 9.2212 9.3102 9.3102 10.1987 10.1987 11.0084 11.0084 11.1894 11.1894 k = 0.0060 0.0181-0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8834 -14.8834 -14.7672 -14.7672 -13.5016 -13.5016 -13.4048 -13.4048 -13.3291 -13.3291 -13.3022 -13.3022 1.1180 1.1180 4.6829 4.6829 6.8345 6.8345 7.7053 7.7053 7.8434 7.8434 9.1685 9.1685 9.3635 9.3635 10.1922 10.1922 10.9952 10.9952 11.1472 11.1472 k = 0.0121 0.0362-0.0000 ( 2739 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8835 -14.8835 -14.7675 -14.7675 -13.5014 -13.5014 -13.4053 -13.4053 -13.3291 -13.3291 -13.3027 -13.3027 1.1225 1.1225 4.6874 4.6874 6.8316 6.8316 7.7102 7.7102 7.8445 7.8445 9.0879 9.0879 9.4459 9.4459 10.1734 10.1734 10.9576 10.9576 11.0651 11.0651 k = 0.0181 0.0543-0.0000 ( 2743 PWs) bands (ev): -33.8609 -33.8609 -33.8314 -33.8314 -14.8835 -14.8835 -14.7679 -14.7679 -13.5011 -13.5011 -13.4061 -13.4061 -13.3290 -13.3290 -13.3036 -13.3036 1.1301 1.1301 4.6948 4.6948 6.8268 6.8268 7.7182 7.7182 7.8464 7.8464 9.0050 9.0050 9.5317 9.5317 10.1436 10.1436 10.9004 10.9004 10.9738 10.9738 k = 0.0242 0.0724-0.0000 ( 2735 PWs) bands (ev): -33.8607 -33.8607 -33.8313 -33.8313 -14.8836 -14.8836 -14.7686 -14.7686 -13.5006 -13.5006 -13.4072 -13.4072 -13.3288 -13.3288 -13.3049 -13.3049 1.1407 1.1407 4.7052 4.7052 6.8198 6.8198 7.7294 7.7294 7.8489 7.8489 8.9226 8.9226 9.6187 9.6187 10.1045 10.1045 10.8287 10.8287 10.8804 10.8804 k = 0.0302 0.0905-0.0000 ( 2739 PWs) bands (ev): -33.8605 -33.8605 -33.8313 -33.8313 -14.8837 -14.8837 -14.7694 -14.7694 -13.5001 -13.5001 -13.4086 -13.4086 -13.3287 -13.3287 -13.3065 -13.3065 1.1543 1.1543 4.7186 4.7186 6.8104 6.8104 7.7435 7.7435 7.8520 7.8520 8.8416 8.8416 9.7062 9.7062 10.0582 10.0582 10.7471 10.7471 10.7868 10.7868 k = 0.0362 0.1086-0.0000 ( 2737 PWs) bands (ev): -33.8603 -33.8603 -33.8313 -33.8313 -14.8838 -14.8838 -14.7703 -14.7703 -13.4995 -13.4995 -13.4103 -13.4103 -13.3286 -13.3286 -13.3084 -13.3084 1.1709 1.1709 4.7348 4.7348 6.7985 6.7985 7.7604 7.7604 7.8556 7.8556 8.7626 8.7626 9.7940 9.7940 10.0068 10.0068 10.6594 10.6594 10.6932 10.6932 k = 0.0423 0.1267-0.0000 ( 2735 PWs) bands (ev): -33.8600 -33.8600 -33.8312 -33.8312 -14.8839 -14.8839 -14.7715 -14.7715 -13.4987 -13.4987 -13.4123 -13.4123 -13.3285 -13.3285 -13.3106 -13.3106 1.1904 1.1904 4.7540 4.7540 6.7837 6.7837 7.7799 7.7799 7.8596 7.8596 8.6861 8.6861 9.8818 9.8818 9.9521 9.9521 10.5684 10.5684 10.5996 10.5996 k = 0.0483 0.1448-0.0000 ( 2725 PWs) bands (ev): -33.8597 -33.8597 -33.8312 -33.8312 -14.8840 -14.8840 -14.7728 -14.7728 -13.4979 -13.4979 -13.4145 -13.4145 -13.3284 -13.3284 -13.3130 -13.3130 1.2128 1.2128 4.7761 4.7761 6.7657 6.7657 7.8016 7.8016 7.8639 7.8639 8.6126 8.6126 9.8945 9.8945 9.9709 9.9709 10.4758 10.4758 10.5063 10.5063 k = 0.0544 0.1629-0.0000 ( 2737 PWs) bands (ev): -33.8594 -33.8594 -33.8311 -33.8311 -14.8842 -14.8842 -14.7742 -14.7742 -13.4969 -13.4969 -13.4169 -13.4169 -13.3285 -13.3285 -13.3157 -13.3157 1.2380 1.2380 4.8011 4.8011 6.7443 6.7443 7.8252 7.8252 7.8683 7.8683 8.5426 8.5426 9.8374 9.8374 10.0589 10.0589 10.3826 10.3826 10.4141 10.4141 k = 0.0604 0.1810-0.0000 ( 2739 PWs) bands (ev): -33.8590 -33.8590 -33.8311 -33.8311 -14.8843 -14.8843 -14.7759 -14.7759 -13.4959 -13.4959 -13.4194 -13.4194 -13.3288 -13.3288 -13.3184 -13.3184 1.2661 1.2661 4.8288 4.8288 6.7190 6.7190 7.8496 7.8496 7.8734 7.8734 8.4767 8.4767 9.7806 9.7806 10.1452 10.1452 10.2908 10.2908 10.3241 10.3241 k = 0.0664 0.1991-0.0000 ( 2743 PWs) bands (ev): -33.8586 -33.8586 -33.8311 -33.8311 -14.8845 -14.8845 -14.7776 -14.7776 -13.4948 -13.4948 -13.4222 -13.4222 -13.3295 -13.3295 -13.3210 -13.3210 1.2968 1.2968 4.8594 4.8594 6.6896 6.6896 7.8691 7.8691 7.8841 7.8841 8.4153 8.4153 9.7253 9.7253 10.1811 10.1811 10.2248 10.2248 10.2616 10.2616 k = 0.0725 0.2172-0.0000 ( 2741 PWs) bands (ev): -33.8581 -33.8581 -33.8310 -33.8310 -14.8846 -14.8846 -14.7796 -14.7796 -13.4936 -13.4936 -13.4250 -13.4250 -13.3310 -13.3310 -13.3231 -13.3231 1.3303 1.3303 4.8927 4.8927 6.6559 6.6559 7.8755 7.8755 7.9078 7.9078 8.3588 8.3588 9.6724 9.6724 10.0966 10.0966 10.1446 10.1446 10.3374 10.3374 k = 0.0785 0.2353-0.0000 ( 2741 PWs) bands (ev): -33.8577 -33.8577 -33.8310 -33.8310 -14.8848 -14.8848 -14.7816 -14.7816 -13.4924 -13.4924 -13.4280 -13.4280 -13.3335 -13.3335 -13.3243 -13.3243 1.3663 1.3663 4.9288 4.9288 6.6176 6.6176 7.8780 7.8780 7.9343 7.9343 8.3076 8.3076 9.6226 9.6226 10.0062 10.0062 10.0607 10.0607 10.4277 10.4277 k = 0.0846 0.2534-0.0000 ( 2737 PWs) bands (ev): -33.8571 -33.8571 -33.8309 -33.8309 -14.8850 -14.8850 -14.7838 -14.7838 -13.4911 -13.4911 -13.4310 -13.4310 -13.3368 -13.3368 -13.3251 -13.3251 1.4049 1.4049 4.9675 4.9675 6.5747 6.5747 7.8788 7.8788 7.9602 7.9602 8.2619 8.2619 9.5766 9.5766 9.9175 9.9175 9.9787 9.9787 10.5201 10.5201 k = 0.0906 0.2715-0.0000 ( 2733 PWs) bands (ev): -33.8565 -33.8565 -33.8309 -33.8309 -14.8851 -14.8851 -14.7861 -14.7861 -13.4898 -13.4898 -13.4341 -13.4341 -13.3406 -13.3406 -13.3256 -13.3256 1.4459 1.4459 5.0089 5.0089 6.5273 6.5273 7.8780 7.8780 7.9842 7.9842 8.2217 8.2217 9.5349 9.5349 9.8319 9.8319 9.8989 9.8989 10.6140 10.6140 k = 0.0966 0.2896-0.0000 ( 2733 PWs) bands (ev): -33.8560 -33.8560 -33.8309 -33.8309 -14.8853 -14.8853 -14.7885 -14.7885 -13.4885 -13.4885 -13.4372 -13.4372 -13.3446 -13.3446 -13.3259 -13.3259 1.4893 1.4893 5.0528 5.0528 6.4754 6.4754 7.8753 7.8753 8.0050 8.0050 8.1873 8.1873 9.4982 9.4982 9.7506 9.7506 9.8216 9.8216 10.7090 10.7090 k = 0.1027 0.3077-0.0000 ( 2733 PWs) bands (ev): -33.8554 -33.8554 -33.8309 -33.8309 -14.8854 -14.8854 -14.7910 -14.7910 -13.4872 -13.4872 -13.4403 -13.4403 -13.3488 -13.3488 -13.3263 -13.3263 1.5349 1.5349 5.0993 5.0993 6.4195 6.4195 7.8706 7.8706 8.0212 8.0212 8.1584 8.1584 9.4668 9.4668 9.6747 9.6747 9.7468 9.7468 10.8049 10.8049 k = 0.1087 0.3258-0.0000 ( 2727 PWs) bands (ev): -33.8547 -33.8547 -33.8309 -33.8309 -14.8856 -14.8856 -14.7936 -14.7936 -13.4859 -13.4859 -13.4433 -13.4433 -13.3530 -13.3530 -13.3267 -13.3267 1.5826 1.5826 5.1483 5.1483 6.3599 6.3599 7.8636 7.8636 8.0310 8.0310 8.1350 8.1350 9.4411 9.4411 9.6055 9.6055 9.6747 9.6747 10.9010 10.9010 k = 0.1148 0.3439-0.0000 ( 2715 PWs) bands (ev): -33.8540 -33.8540 -33.8309 -33.8309 -14.8857 -14.8857 -14.7963 -14.7963 -13.4848 -13.4848 -13.4463 -13.4463 -13.3573 -13.3573 -13.3271 -13.3271 1.6323 1.6323 5.1996 5.1996 6.2970 6.2970 7.8543 7.8543 8.0330 8.0330 8.1167 8.1167 9.4214 9.4214 9.5442 9.5442 9.6054 9.6054 10.9956 10.9956 k = 0.1208 0.3620-0.0000 ( 2723 PWs) bands (ev): -33.8534 -33.8534 -33.8309 -33.8309 -14.8858 -14.8858 -14.7991 -14.7991 -13.4837 -13.4837 -13.4491 -13.4491 -13.3616 -13.3616 -13.3276 -13.3276 1.6839 1.6839 5.2534 5.2534 6.2313 6.2313 7.8427 7.8427 8.0265 8.0265 8.1024 8.1024 9.4077 9.4077 9.4916 9.4916 9.5394 9.5394 11.0834 11.0834 k = 0.1268 0.3801-0.0000 ( 2727 PWs) bands (ev): -33.8528 -33.8528 -33.8309 -33.8309 -14.8858 -14.8858 -14.8019 -14.8019 -13.4827 -13.4827 -13.4518 -13.4518 -13.3657 -13.3657 -13.3281 -13.3281 1.7371 1.7371 5.3094 5.3094 6.1634 6.1634 7.8287 7.8287 8.0112 8.0112 8.0909 8.0909 9.3997 9.3997 9.4471 9.4471 9.4785 9.4785 11.1462 11.1462 k = 0.1329 0.3982-0.0000 ( 2725 PWs) bands (ev): -33.8521 -33.8521 -33.8310 -33.8310 -14.8859 -14.8859 -14.8048 -14.8048 -13.4820 -13.4820 -13.4544 -13.4544 -13.3698 -13.3698 -13.3288 -13.3288 1.7919 1.7919 5.3676 5.3676 6.0939 6.0939 7.8125 7.8125 7.9862 7.9862 8.0816 8.0816 9.3958 9.3958 9.4023 9.4023 9.4333 9.4333 11.1489 11.1489 k = 0.1389 0.4163-0.0000 ( 2723 PWs) bands (ev): -33.8514 -33.8514 -33.8310 -33.8310 -14.8858 -14.8858 -14.8078 -14.8078 -13.4814 -13.4814 -13.4567 -13.4567 -13.3737 -13.3737 -13.3295 -13.3295 1.8480 1.8480 5.4278 5.4278 6.0233 6.0233 7.7942 7.7942 7.9507 7.9507 8.0750 8.0750 9.3478 9.3478 9.3916 9.3916 9.4173 9.4173 11.1023 11.1023 k = 0.1450 0.4344-0.0000 ( 2723 PWs) bands (ev): -33.8507 -33.8507 -33.8311 -33.8311 -14.8858 -14.8858 -14.8107 -14.8107 -13.4811 -13.4811 -13.4588 -13.4588 -13.3774 -13.3774 -13.3302 -13.3302 1.9053 1.9053 5.4901 5.4901 5.9522 5.9522 7.7739 7.7739 7.9046 7.9046 8.0714 8.0714 9.2934 9.2934 9.3837 9.3837 9.4231 9.4231 11.0369 11.0369 k = 0.1510 0.4525-0.0000 ( 2727 PWs) bands (ev): -33.8500 -33.8500 -33.8312 -33.8312 -14.8857 -14.8857 -14.8137 -14.8137 -13.4811 -13.4811 -13.4606 -13.4606 -13.3808 -13.3808 -13.3311 -13.3311 1.9635 1.9635 5.5543 5.5543 5.8811 5.8811 7.7518 7.7518 7.8488 7.8488 8.0707 8.0707 9.2411 9.2411 9.3808 9.3808 9.4386 9.4386 10.9636 10.9636 k = 0.1570 0.4706-0.0000 ( 2731 PWs) bands (ev): -33.8493 -33.8493 -33.8313 -33.8313 -14.8855 -14.8855 -14.8167 -14.8167 -13.4814 -13.4814 -13.4622 -13.4622 -13.3839 -13.3839 -13.3320 -13.3320 2.0224 2.0224 5.6201 5.6201 5.8106 5.8106 7.7278 7.7278 7.7850 7.7850 8.0723 8.0723 9.1915 9.1915 9.3841 9.3841 9.4604 9.4604 10.8861 10.8861 k = 0.1631 0.4887-0.0000 ( 2723 PWs) bands (ev): -33.8486 -33.8486 -33.8314 -33.8314 -14.8852 -14.8852 -14.8197 -14.8197 -13.4820 -13.4820 -13.4636 -13.4636 -13.3866 -13.3866 -13.3331 -13.3331 2.0816 2.0816 5.6874 5.6874 5.7413 5.7413 7.6969 7.6969 7.7200 7.7200 8.0762 8.0762 9.1448 9.1448 9.3923 9.3923 9.4875 9.4875 10.8059 10.8059 k = 0.1691 0.5068-0.0000 ( 2731 PWs) bands (ev): -33.8479 -33.8479 -33.8316 -33.8316 -14.8849 -14.8849 -14.8226 -14.8226 -13.4827 -13.4827 -13.4649 -13.4649 -13.3889 -13.3889 -13.3341 -13.3341 2.1409 2.1409 5.6735 5.6735 5.7560 5.7560 7.6306 7.6306 7.6841 7.6841 8.0818 8.0818 9.1011 9.1011 9.4043 9.4043 9.5194 9.5194 10.7236 10.7236 k = 0.1752 0.5249-0.0000 ( 2739 PWs) bands (ev): -33.8472 -33.8472 -33.8318 -33.8318 -14.8845 -14.8845 -14.8256 -14.8256 -13.4835 -13.4835 -13.4661 -13.4661 -13.3909 -13.3909 -13.3353 -13.3353 2.1999 2.1999 5.6081 5.6081 5.8255 5.8255 7.5502 7.5502 7.6579 7.6579 8.0891 8.0891 9.0605 9.0605 9.4187 9.4187 9.5557 9.5557 10.6400 10.6400 k = 0.1812 0.5430-0.0000 ( 2737 PWs) bands (ev): -33.8465 -33.8465 -33.8320 -33.8320 -14.8841 -14.8841 -14.8285 -14.8285 -13.4844 -13.4844 -13.4674 -13.4674 -13.3924 -13.3924 -13.3366 -13.3366 2.2582 2.2582 5.5455 5.5455 5.8954 5.8954 7.4663 7.4663 7.6325 7.6325 8.0978 8.0978 9.0230 9.0230 9.4347 9.4347 9.5960 9.5960 10.5554 10.5554 k = 0.1872 0.5611-0.0000 ( 2741 PWs) bands (ev): -33.8458 -33.8458 -33.8322 -33.8322 -14.8835 -14.8835 -14.8313 -14.8313 -13.4853 -13.4853 -13.4686 -13.4686 -13.3935 -13.3935 -13.3379 -13.3379 2.3153 2.3153 5.4862 5.4862 5.9650 5.9650 7.3810 7.3810 7.6075 7.6075 8.1076 8.1076 8.9885 8.9885 9.4515 9.4515 9.6400 9.6400 10.4701 10.4701 k = 0.1933 0.5792-0.0000 ( 2747 PWs) bands (ev): -33.8451 -33.8451 -33.8325 -33.8325 -14.8829 -14.8829 -14.8341 -14.8341 -13.4861 -13.4861 -13.4699 -13.4699 -13.3942 -13.3942 -13.3393 -13.3393 2.3709 2.3709 5.4310 5.4310 6.0335 6.0335 7.2960 7.2960 7.5832 7.5832 8.1185 8.1185 8.9573 8.9573 9.4686 9.4686 9.6872 9.6872 10.3846 10.3846 k = 0.1993 0.5973-0.0000 ( 2743 PWs) bands (ev): -33.8445 -33.8445 -33.8327 -33.8327 -14.8821 -14.8821 -14.8368 -14.8368 -13.4868 -13.4868 -13.4713 -13.4713 -13.3945 -13.3945 -13.3407 -13.3407 2.4243 2.4243 5.3804 5.3804 6.0993 6.0993 7.2135 7.2135 7.5596 7.5596 8.1303 8.1303 8.9292 8.9292 9.4857 9.4857 9.7374 9.7374 10.2991 10.2991 k = 0.2054 0.6154-0.0000 ( 2739 PWs) bands (ev): -33.8438 -33.8438 -33.8330 -33.8330 -14.8813 -14.8813 -14.8394 -14.8394 -13.4874 -13.4874 -13.4726 -13.4726 -13.3945 -13.3945 -13.3422 -13.3422 2.4750 2.4750 5.3350 5.3350 6.1600 6.1600 7.1362 7.1362 7.5369 7.5369 8.1428 8.1428 8.9044 8.9044 9.5027 9.5027 9.7902 9.7902 10.2140 10.2140 k = 0.2114 0.6335-0.0000 ( 2739 PWs) bands (ev): -33.8432 -33.8432 -33.8333 -33.8333 -14.8803 -14.8803 -14.8419 -14.8419 -13.4879 -13.4879 -13.4740 -13.4740 -13.3941 -13.3941 -13.3438 -13.3438 2.5224 2.5224 5.2957 5.2957 6.2122 6.2122 7.0681 7.0681 7.5154 7.5154 8.1558 8.1558 8.8827 8.8827 9.5196 9.5196 9.8450 9.8450 10.1298 10.1298 k = 0.2174 0.6516-0.0000 ( 2741 PWs) bands (ev): -33.8426 -33.8426 -33.8337 -33.8337 -14.8793 -14.8793 -14.8444 -14.8444 -13.4882 -13.4882 -13.4752 -13.4752 -13.3935 -13.3935 -13.3454 -13.3454 2.5658 2.5658 5.2629 5.2629 6.2505 6.2505 7.0148 7.0148 7.4950 7.4950 8.1694 8.1694 8.8643 8.8643 9.5366 9.5366 9.9004 9.9004 10.0479 10.0479 k = 0.2235 0.6697-0.0000 ( 2749 PWs) bands (ev): -33.8420 -33.8420 -33.8340 -33.8340 -14.8781 -14.8781 -14.8467 -14.8467 -13.4885 -13.4885 -13.4764 -13.4764 -13.3928 -13.3928 -13.3471 -13.3471 2.6047 2.6047 5.2375 5.2375 6.2684 6.2684 6.9829 6.9829 7.4760 7.4760 8.1832 8.1832 8.8491 8.8491 9.5537 9.5537 9.9368 9.9368 9.9878 9.9878 k = 0.2295 0.6878-0.0000 ( 2749 PWs) bands (ev): -33.8414 -33.8414 -33.8344 -33.8344 -14.8768 -14.8768 -14.8489 -14.8489 -13.4886 -13.4886 -13.4773 -13.4773 -13.3918 -13.3918 -13.3488 -13.3488 2.6385 2.6385 5.2199 5.2199 6.2608 6.2608 6.9777 6.9777 7.4585 7.4585 8.1972 8.1972 8.8372 8.8372 9.5712 9.5712 9.8745 9.8745 10.0294 10.0294 k = 0.2356 0.7059-0.0000 ( 2745 PWs) bands (ev): -33.8409 -33.8409 -33.8348 -33.8348 -14.8755 -14.8755 -14.8510 -14.8510 -13.4887 -13.4887 -13.4779 -13.4779 -13.3907 -13.3907 -13.3506 -13.3506 2.6667 2.6667 5.2108 5.2108 6.2275 6.2275 6.9997 6.9997 7.4425 7.4425 8.2111 8.2111 8.8285 8.8285 9.5892 9.5892 9.7969 9.7969 10.0893 10.0893 k = 0.2416 0.7240-0.0000 ( 2741 PWs) bands (ev): -33.8403 -33.8403 -33.8353 -33.8353 -14.8740 -14.8740 -14.8530 -14.8530 -13.4889 -13.4889 -13.4781 -13.4781 -13.3894 -13.3894 -13.3523 -13.3523 2.6887 2.6887 5.2106 5.2106 6.1731 6.1731 7.0442 7.0442 7.4281 7.4281 8.2248 8.2248 8.8230 8.8230 9.6073 9.6073 9.7208 9.7208 10.1513 10.1513 k = 0.2476 0.7421-0.0000 ( 2737 PWs) bands (ev): -33.8398 -33.8398 -33.8358 -33.8358 -14.8724 -14.8724 -14.8548 -14.8548 -13.4890 -13.4890 -13.4780 -13.4780 -13.3882 -13.3882 -13.3541 -13.3541 2.7045 2.7045 5.2195 5.2195 6.1040 6.1040 7.1049 7.1049 7.4154 7.4154 8.2380 8.2380 8.8208 8.8208 9.6179 9.6179 9.6552 9.6552 10.2141 10.2141 k = 0.2537 0.7602-0.0000 ( 2745 PWs) bands (ev): -33.8393 -33.8393 -33.8363 -33.8363 -14.8707 -14.8707 -14.8565 -14.8565 -13.4891 -13.4891 -13.4774 -13.4774 -13.3868 -13.3868 -13.3559 -13.3559 2.7137 2.7137 5.2378 5.2378 6.0253 6.0253 7.1767 7.1767 7.4043 7.4043 8.2503 8.2503 8.8218 8.8218 9.5658 9.5658 9.6564 9.6564 10.2769 10.2769 k = 0.2597 0.7783-0.0000 ( 2745 PWs) bands (ev): -33.8388 -33.8388 -33.8368 -33.8368 -14.8689 -14.8689 -14.8580 -14.8580 -13.4893 -13.4893 -13.4765 -13.4765 -13.3855 -13.3855 -13.3576 -13.3576 2.7165 2.7165 5.2653 5.2653 5.9406 5.9406 7.2560 7.2560 7.3949 7.3949 8.2615 8.2615 8.8261 8.8261 9.4978 9.4978 9.6782 9.6782 10.3392 10.3392 k = 0.2658 0.7964-0.0000 ( 2749 PWs) bands (ev): -33.8384 -33.8384 -33.8373 -33.8373 -14.8671 -14.8671 -14.8594 -14.8594 -13.4893 -13.4893 -13.4752 -13.4752 -13.3841 -13.3841 -13.3593 -13.3593 2.7131 2.7131 5.3018 5.3018 5.8524 5.8524 7.3403 7.3403 7.3872 7.3872 8.2712 8.2712 8.8335 8.8335 9.4320 9.4320 9.7031 9.7031 10.4006 10.4006 k = 0.2718 0.8145-0.0000 ( 2753 PWs) bands (ev): -33.8380 -33.8380 -33.8379 -33.8379 -14.8653 -14.8653 -14.8605 -14.8605 -13.4893 -13.4893 -13.4736 -13.4736 -13.3828 -13.3828 -13.3610 -13.3610 2.7037 2.7037 5.3469 5.3469 5.7621 5.7621 7.3810 7.3810 7.4282 7.4282 8.2787 8.2787 8.8442 8.8442 9.3700 9.3700 9.7302 9.7302 10.4604 10.4604 k = 0.2778 0.8326-0.0000 ( 2757 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8640 -14.8640 -14.8608 -14.8608 -13.4891 -13.4891 -13.4717 -13.4717 -13.3816 -13.3816 -13.3625 -13.3625 2.6889 2.6889 5.4000 5.4000 5.6709 5.6709 7.3767 7.3767 7.5180 7.5180 8.2837 8.2837 8.8580 8.8580 9.3125 9.3125 9.7596 9.7596 10.5181 10.5181 k = 0.2778 0.8326-0.0000 ( 2757 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8640 -14.8640 -14.8608 -14.8608 -13.4891 -13.4891 -13.4717 -13.4717 -13.3816 -13.3816 -13.3625 -13.3625 2.6889 2.6889 5.4000 5.4000 5.6709 5.6709 7.3767 7.3767 7.5180 7.5180 8.2837 8.2837 8.8580 8.8580 9.3125 9.3125 9.7596 9.7596 10.5181 10.5181 k = 0.2593 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8384 -33.8384 -33.8377 -33.8377 -14.8645 -14.8645 -14.8607 -14.8607 -13.4892 -13.4892 -13.4723 -13.4723 -13.3820 -13.3820 -13.3620 -13.3620 2.6938 2.6938 5.3779 5.3779 5.7062 5.7062 7.3782 7.3782 7.4871 7.4871 8.2828 8.2828 8.8524 8.8524 9.3223 9.3223 9.7586 9.7586 10.5031 10.5031 k = 0.2408 0.8326-0.0000 ( 2744 PWs) bands (ev): -33.8384 -33.8384 -33.8376 -33.8376 -14.8652 -14.8652 -14.8602 -14.8602 -13.4892 -13.4892 -13.4729 -13.4729 -13.3825 -13.3825 -13.3614 -13.3614 2.6978 2.6978 5.3501 5.3501 5.7523 5.7523 7.3806 7.3806 7.4505 7.4505 8.2825 8.2825 8.8451 8.8451 9.3175 9.3175 9.7745 9.7745 10.4930 10.4930 k = 0.2223 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8385 -33.8385 -33.8374 -33.8374 -14.8660 -14.8660 -14.8596 -14.8596 -13.4893 -13.4893 -13.4735 -13.4735 -13.3831 -13.3831 -13.3607 -13.3607 2.7011 2.7011 5.3203 5.3203 5.8054 5.8054 7.3835 7.3835 7.4086 7.4086 8.2827 8.2827 8.8362 8.8362 9.3005 9.3005 9.8042 9.8042 10.4880 10.4880 k = 0.2037 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8387 -33.8387 -33.8372 -33.8372 -14.8669 -14.8669 -14.8591 -14.8591 -13.4893 -13.4893 -13.4741 -13.4741 -13.3836 -13.3836 -13.3600 -13.3600 2.7038 2.7038 5.2906 5.2906 5.8634 5.8634 7.3617 7.3617 7.3874 7.3874 8.2832 8.2832 8.8259 8.8259 9.2753 9.2753 9.8430 9.8430 10.4879 10.4879 k = 0.1852 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8388 -33.8388 -33.8370 -33.8370 -14.8676 -14.8676 -14.8585 -14.8585 -13.4894 -13.4894 -13.4746 -13.4746 -13.3842 -13.3842 -13.3592 -13.3592 2.7059 2.7059 5.2620 5.2620 5.9250 5.9250 7.3107 7.3107 7.3914 7.3914 8.2841 8.2841 8.8145 8.8145 9.2459 9.2459 9.8867 9.8867 10.4925 10.4925 k = 0.1667 0.8326-0.0000 ( 2751 PWs) bands (ev): -33.8389 -33.8389 -33.8368 -33.8368 -14.8684 -14.8684 -14.8580 -14.8580 -13.4894 -13.4894 -13.4751 -13.4751 -13.3847 -13.3847 -13.3585 -13.3585 2.7075 2.7075 5.2353 5.2353 5.9896 5.9896 7.2558 7.2558 7.3958 7.3958 8.2853 8.2853 8.8024 8.8024 9.2149 9.2149 9.9319 9.9319 10.5014 10.5014 k = 0.1482 0.8326-0.0000 ( 2749 PWs) bands (ev): -33.8391 -33.8391 -33.8367 -33.8367 -14.8690 -14.8690 -14.8575 -14.8575 -13.4894 -13.4894 -13.4756 -13.4756 -13.3853 -13.3853 -13.3578 -13.3578 2.7087 2.7087 5.2108 5.2108 6.0564 6.0564 7.1975 7.1975 7.4004 7.4004 8.2867 8.2867 8.7899 8.7899 9.1844 9.1844 9.9764 9.9764 10.5140 10.5140 k = 0.1297 0.8326-0.0000 ( 2745 PWs) bands (ev): -33.8392 -33.8392 -33.8365 -33.8365 -14.8696 -14.8696 -14.8570 -14.8570 -13.4894 -13.4894 -13.4760 -13.4760 -13.3857 -13.3857 -13.3572 -13.3572 2.7096 2.7096 5.1887 5.1887 6.1250 6.1250 7.1362 7.1362 7.4049 7.4049 8.2882 8.2882 8.7776 8.7776 9.1554 9.1554 10.0185 10.0185 10.5294 10.5294 k = 0.1111 0.8326-0.0000 ( 2744 PWs) bands (ev): -33.8393 -33.8393 -33.8364 -33.8364 -14.8702 -14.8702 -14.8567 -14.8567 -13.4894 -13.4894 -13.4764 -13.4764 -13.3862 -13.3862 -13.3567 -13.3567 2.7103 2.7103 5.1694 5.1694 6.1951 6.1951 7.0724 7.0724 7.4093 7.4093 8.2898 8.2898 8.7658 8.7658 9.1290 9.1290 10.0570 10.0570 10.5467 10.5467 k = 0.0926 0.8326-0.0000 ( 2744 PWs) bands (ev): -33.8394 -33.8394 -33.8362 -33.8362 -14.8706 -14.8706 -14.8563 -14.8563 -13.4894 -13.4894 -13.4767 -13.4767 -13.3865 -13.3865 -13.3562 -13.3562 2.7107 2.7107 5.1528 5.1528 6.2661 6.2661 7.0064 7.0064 7.4134 7.4134 8.2915 8.2915 8.7550 8.7550 9.1058 9.1058 10.0911 10.0911 10.5648 10.5648 k = 0.0741 0.8326-0.0000 ( 2747 PWs) bands (ev): -33.8395 -33.8395 -33.8361 -33.8361 -14.8710 -14.8710 -14.8561 -14.8561 -13.4894 -13.4894 -13.4770 -13.4770 -13.3868 -13.3868 -13.3558 -13.3558 2.7110 2.7110 5.1391 5.1391 6.3376 6.3376 6.9390 6.9390 7.4169 7.4169 8.2930 8.2930 8.7455 8.7455 9.0861 9.0861 10.1199 10.1199 10.5824 10.5824 k = 0.0556 0.8326-0.0000 ( 2751 PWs) bands (ev): -33.8395 -33.8395 -33.8361 -33.8361 -14.8713 -14.8713 -14.8558 -14.8558 -13.4894 -13.4894 -13.4773 -13.4773 -13.3871 -13.3871 -13.3554 -13.3554 2.7112 2.7112 5.1284 5.1284 6.4089 6.4089 6.8708 6.8708 7.4198 7.4198 8.2943 8.2943 8.7378 8.7378 9.0705 9.0705 10.1428 10.1428 10.5982 10.5982 k = 0.0370 0.8326-0.0000 ( 2755 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8715 -14.8715 -14.8557 -14.8557 -13.4894 -13.4894 -13.4774 -13.4774 -13.3872 -13.3872 -13.3552 -13.3552 2.7113 2.7113 5.1207 5.1207 6.4784 6.4784 6.8035 6.8035 7.4220 7.4220 8.2952 8.2952 8.7321 8.7321 9.0592 9.0592 10.1596 10.1596 10.6108 10.6108 k = 0.0185 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8716 -14.8716 -14.8556 -14.8556 -13.4894 -13.4894 -13.4775 -13.4775 -13.3873 -13.3873 -13.3550 -13.3550 2.7114 2.7114 5.1161 5.1161 6.5411 6.5411 6.7421 6.7421 7.4234 7.4234 8.2959 8.2959 8.7286 8.7286 9.0523 9.0523 10.1698 10.1698 10.6189 10.6189 k = 0.0000 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8716 -14.8716 -14.8556 -14.8556 -13.4894 -13.4894 -13.4775 -13.4775 -13.3874 -13.3874 -13.3550 -13.3550 2.7114 2.7114 5.1146 5.1146 6.5737 6.5737 6.7099 6.7099 7.4238 7.4238 8.2961 8.2961 8.7274 8.7274 9.0500 9.0500 10.1732 10.1732 10.6217 10.6217 k = 0.0000 0.8326-0.0000 ( 2750 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8716 -14.8716 -14.8556 -14.8556 -13.4894 -13.4894 -13.4775 -13.4775 -13.3874 -13.3874 -13.3550 -13.3550 2.7114 2.7114 5.1146 5.1146 6.5737 6.5737 6.7099 6.7099 7.4238 7.4238 8.2961 8.2961 8.7274 8.7274 9.0500 9.0500 10.1732 10.1732 10.6217 10.6217 k = 0.0000 0.8326 0.0193 ( 2752 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8717 -14.8717 -14.8556 -14.8556 -13.4896 -13.4896 -13.4773 -13.4773 -13.3875 -13.3875 -13.3550 -13.3550 2.7124 2.7124 5.1156 5.1156 6.5689 6.5689 6.7115 6.7115 7.4254 7.4254 8.2911 8.2911 8.7294 8.7294 9.0484 9.0484 10.1759 10.1759 10.6230 10.6230 k = 0.0000 0.8326 0.0386 ( 2750 PWs) bands (ev): -33.8396 -33.8396 -33.8360 -33.8360 -14.8717 -14.8717 -14.8557 -14.8557 -13.4902 -13.4902 -13.4767 -13.4767 -13.3879 -13.3879 -13.3550 -13.3550 2.7153 2.7153 5.1188 5.1188 6.5547 6.5547 6.7165 6.7165 7.4298 7.4298 8.2765 8.2765 8.7350 8.7350 9.0439 9.0439 10.1841 10.1841 10.6269 10.6269 k = 0.0000 0.8326 0.0579 ( 2750 PWs) bands (ev): -33.8396 -33.8396 -33.8359 -33.8359 -14.8717 -14.8717 -14.8558 -14.8558 -13.4910 -13.4910 -13.4757 -13.4757 -13.3885 -13.3885 -13.3550 -13.3550 2.7201 2.7201 5.1239 5.1239 6.5318 6.5318 6.7248 6.7248 7.4366 7.4366 8.2537 8.2537 8.7429 8.7429 9.0363 9.0363 10.1977 10.1977 10.6337 10.6337 k = 0.0000 0.8326 0.0773 ( 2744 PWs) bands (ev): -33.8395 -33.8395 -33.8359 -33.8359 -14.8718 -14.8718 -14.8559 -14.8559 -13.4920 -13.4920 -13.4745 -13.4745 -13.3893 -13.3893 -13.3550 -13.3550 2.7269 2.7269 5.1308 5.1308 6.5013 6.5013 6.7362 6.7362 7.4450 7.4450 8.2243 8.2243 8.7514 8.7514 9.0260 9.0260 10.2166 10.2166 10.6436 10.6436 k = 0.0000 0.8326 0.0966 ( 2738 PWs) bands (ev): -33.8395 -33.8395 -33.8359 -33.8359 -14.8718 -14.8718 -14.8561 -14.8561 -13.4931 -13.4931 -13.4731 -13.4731 -13.3904 -13.3904 -13.3550 -13.3550 2.7356 2.7356 5.1393 5.1393 6.4645 6.4645 6.7507 6.7507 7.4542 7.4542 8.1899 8.1899 8.7590 8.7590 9.0133 9.0133 10.2408 10.2408 10.6569 10.6569 k = 0.0000 0.8326 0.1159 ( 2740 PWs) bands (ev): -33.8394 -33.8394 -33.8359 -33.8359 -14.8719 -14.8719 -14.8563 -14.8563 -13.4942 -13.4942 -13.4717 -13.4717 -13.3916 -13.3916 -13.3550 -13.3550 2.7463 2.7463 5.1492 5.1492 6.4225 6.4225 6.7682 6.7682 7.4635 7.4635 8.1520 8.1520 8.7644 8.7644 8.9983 8.9983 10.2701 10.2701 10.6739 10.6739 k = 0.0000 0.8326 0.1352 ( 2740 PWs) bands (ev): -33.8394 -33.8394 -33.8359 -33.8359 -14.8720 -14.8720 -14.8566 -14.8566 -13.4953 -13.4953 -13.4703 -13.4703 -13.3930 -13.3930 -13.3551 -13.3551 2.7589 2.7589 5.1599 5.1599 6.3769 6.3769 6.7885 6.7885 7.4720 7.4720 8.1117 8.1117 8.7666 8.7666 8.9814 8.9814 10.3042 10.3042 10.6949 10.6949 k = 0.0000 0.8326 0.1545 ( 2744 PWs) bands (ev): -33.8393 -33.8393 -33.8359 -33.8359 -14.8721 -14.8721 -14.8569 -14.8569 -13.4964 -13.4964 -13.4688 -13.4688 -13.3945 -13.3945 -13.3552 -13.3552 2.7734 2.7734 5.1710 5.1710 6.3290 6.3290 6.8114 6.8114 7.4794 7.4794 8.0699 8.0699 8.7652 8.7652 8.9630 8.9630 10.3430 10.3430 10.7201 10.7201 k = 0.0000 0.8326 0.1738 ( 2736 PWs) bands (ev): -33.8393 -33.8393 -33.8358 -33.8358 -14.8722 -14.8722 -14.8573 -14.8573 -13.4975 -13.4975 -13.4673 -13.4673 -13.3961 -13.3961 -13.3554 -13.3554 2.7898 2.7898 5.1817 5.1817 6.2803 6.2803 6.8367 6.8367 7.4852 7.4852 8.0274 8.0274 8.7597 8.7597 8.9435 8.9435 10.3862 10.3862 10.7494 10.7494 k = 0.0000 0.8326 0.1932 ( 2732 PWs) bands (ev): -33.8392 -33.8392 -33.8358 -33.8358 -14.8723 -14.8723 -14.8577 -14.8577 -13.4985 -13.4985 -13.4659 -13.4659 -13.3978 -13.3978 -13.3557 -13.3557 2.8081 2.8081 5.1912 5.1912 6.2323 6.2323 6.8640 6.8640 7.4890 7.4890 7.9848 7.9848 8.7501 8.7501 8.9232 8.9232 10.4335 10.4335 10.7830 10.7830 k = 0.0000 0.8326 0.2125 ( 2732 PWs) bands (ev): -33.8391 -33.8391 -33.8358 -33.8358 -14.8724 -14.8724 -14.8581 -14.8581 -13.4994 -13.4994 -13.4645 -13.4645 -13.3995 -13.3995 -13.3560 -13.3560 2.8283 2.8283 5.1983 5.1983 6.1867 6.1867 6.8930 6.8930 7.4908 7.4908 7.9428 7.9428 8.7365 8.7365 8.9025 8.9025 10.4846 10.4846 10.8207 10.8207 k = 0.0000 0.8326 0.2318 ( 2734 PWs) bands (ev): -33.8390 -33.8390 -33.8358 -33.8358 -14.8725 -14.8725 -14.8586 -14.8586 -13.5003 -13.5003 -13.4633 -13.4633 -13.4013 -13.4013 -13.3564 -13.3564 2.8505 2.8505 5.2018 5.2018 6.1451 6.1451 6.9232 6.9232 7.4905 7.4905 7.9018 7.9018 8.7194 8.7194 8.8817 8.8817 10.5392 10.5392 10.8621 10.8621 k = 0.0000 0.8326 0.2511 ( 2736 PWs) bands (ev): -33.8389 -33.8389 -33.8358 -33.8358 -14.8727 -14.8727 -14.8590 -14.8590 -13.5011 -13.5011 -13.4621 -13.4621 -13.4030 -13.4030 -13.3570 -13.3570 2.8745 2.8745 5.2001 5.2001 6.1095 6.1095 6.9542 6.9542 7.4881 7.4881 7.8624 7.8624 8.6991 8.6991 8.8610 8.8610 10.5971 10.5971 10.9070 10.9070 k = 0.0000 0.8326 0.2704 ( 2734 PWs) bands (ev): -33.8388 -33.8388 -33.8358 -33.8358 -14.8728 -14.8728 -14.8595 -14.8595 -13.5018 -13.5018 -13.4611 -13.4611 -13.4046 -13.4046 -13.3576 -13.3576 2.9004 2.9004 5.1919 5.1919 6.0815 6.0815 6.9853 6.9853 7.4836 7.4836 7.8249 7.8249 8.6761 8.6761 8.8408 8.8408 10.6578 10.6578 10.9550 10.9550 k = 0.0000 0.8326 0.2897 ( 2744 PWs) bands (ev): -33.8387 -33.8387 -33.8358 -33.8358 -14.8729 -14.8729 -14.8601 -14.8601 -13.5024 -13.5024 -13.4602 -13.4602 -13.4061 -13.4061 -13.3583 -13.3583 2.9281 2.9281 5.1759 5.1759 6.0626 6.0626 7.0159 7.0159 7.4772 7.4772 7.7899 7.7899 8.6513 8.6513 8.8213 8.8213 10.7211 10.7211 11.0056 11.0056 k = 0.0000 0.8326 0.3091 ( 2734 PWs) bands (ev): -33.8386 -33.8386 -33.8358 -33.8358 -14.8730 -14.8730 -14.8606 -14.8606 -13.5029 -13.5029 -13.4596 -13.4596 -13.4074 -13.4074 -13.3590 -13.3590 2.9577 2.9577 5.1514 5.1514 6.0538 6.0538 7.0451 7.0451 7.4691 7.4691 7.7578 7.7578 8.6251 8.6251 8.8026 8.8026 10.7867 10.7867 11.0582 11.0582 k = 0.0000 0.8326 0.3284 ( 2728 PWs) bands (ev): -33.8384 -33.8384 -33.8357 -33.8357 -14.8731 -14.8731 -14.8612 -14.8612 -13.5033 -13.5033 -13.4592 -13.4592 -13.4086 -13.4086 -13.3599 -13.3599 2.9892 2.9892 5.1184 5.1184 6.0551 6.0551 7.0721 7.0721 7.4595 7.4595 7.7290 7.7290 8.5985 8.5985 8.7849 8.7849 10.8543 10.8543 11.1125 11.1125 k = 0.0000 0.8326 0.3477 ( 2732 PWs) bands (ev): -33.8383 -33.8383 -33.8357 -33.8357 -14.8733 -14.8733 -14.8618 -14.8618 -13.5036 -13.5036 -13.4591 -13.4591 -13.4095 -13.4095 -13.3609 -13.3609 3.0225 3.0225 5.0773 5.0773 6.0661 6.0661 7.0958 7.0958 7.4485 7.4485 7.7039 7.7039 8.5721 8.5721 8.7684 8.7684 10.9236 10.9236 11.1678 11.1678 k = 0.0000 0.8326 0.3670 ( 2732 PWs) bands (ev): -33.8382 -33.8382 -33.8357 -33.8357 -14.8733 -14.8733 -14.8624 -14.8624 -13.5038 -13.5038 -13.4593 -13.4593 -13.4101 -13.4101 -13.3619 -13.3619 3.0576 3.0576 5.0293 5.0293 6.0858 6.0858 7.1155 7.1155 7.4365 7.4365 7.6825 7.6825 8.5470 8.5470 8.7530 8.7530 10.9945 10.9945 11.2237 11.2237 k = 0.0000 0.8326 0.3863 ( 2736 PWs) bands (ev): -33.8381 -33.8381 -33.8358 -33.8358 -14.8734 -14.8734 -14.8630 -14.8630 -13.5039 -13.5039 -13.4597 -13.4597 -13.4104 -13.4104 -13.3631 -13.3631 3.0945 3.0945 4.9753 4.9753 6.1132 6.1132 7.1304 7.1304 7.4238 7.4238 7.6647 7.6647 8.5239 8.5239 8.7389 8.7389 11.0665 11.0665 11.2795 11.2795 k = 0.0000 0.8326 0.4056 ( 2738 PWs) bands (ev): -33.8380 -33.8380 -33.8358 -33.8358 -14.8735 -14.8735 -14.8636 -14.8636 -13.5038 -13.5038 -13.4605 -13.4605 -13.4105 -13.4105 -13.3643 -13.3643 3.1332 3.1332 4.9167 4.9167 6.1470 6.1470 7.1399 7.1399 7.4106 7.4106 7.6501 7.6501 8.5037 8.5037 8.7260 8.7260 11.1394 11.1394 11.3349 11.3349 k = 0.0000 0.8326 0.4250 ( 2740 PWs) bands (ev): -33.8379 -33.8379 -33.8358 -33.8358 -14.8736 -14.8736 -14.8642 -14.8642 -13.5037 -13.5037 -13.4616 -13.4616 -13.4102 -13.4102 -13.3656 -13.3656 3.1736 3.1736 4.8546 4.8546 6.1860 6.1860 7.1442 7.1442 7.3972 7.3972 7.6376 7.6376 8.4872 8.4872 8.7144 8.7144 11.2130 11.2130 11.3892 11.3892 k = 0.0000 0.8326 0.4443 ( 2740 PWs) bands (ev): -33.8378 -33.8378 -33.8358 -33.8358 -14.8736 -14.8736 -14.8649 -14.8649 -13.5034 -13.5034 -13.4629 -13.4629 -13.4097 -13.4097 -13.3670 -13.3670 3.2158 3.2158 4.7897 4.7897 6.2293 6.2293 7.1434 7.1434 7.3841 7.3841 7.6260 7.6260 8.4752 8.4752 8.7039 8.7039 11.2868 11.2868 11.4421 11.4421 k = 0.0000 0.8326 0.4636 ( 2738 PWs) bands (ev): -33.8376 -33.8376 -33.8358 -33.8358 -14.8736 -14.8736 -14.8655 -14.8655 -13.5030 -13.5030 -13.4645 -13.4645 -13.4089 -13.4089 -13.3684 -13.3684 3.2597 3.2597 4.7229 4.7229 6.2760 6.2760 7.1383 7.1383 7.3713 7.3713 7.6141 7.6141 8.4681 8.4681 8.6946 8.6946 11.3605 11.3605 11.4931 11.4931 k = 0.0000 0.8326 0.4829 ( 2740 PWs) bands (ev): -33.8375 -33.8375 -33.8358 -33.8358 -14.8736 -14.8736 -14.8661 -14.8661 -13.5024 -13.5024 -13.4662 -13.4662 -13.4079 -13.4079 -13.3699 -13.3699 3.3054 3.3054 4.6547 4.6547 6.3253 6.3253 7.1294 7.1294 7.3594 7.3594 7.6005 7.6005 8.4662 8.4662 8.6863 8.6863 11.4338 11.4338 11.5418 11.5418 k = 0.0000 0.8326 0.5022 ( 2742 PWs) bands (ev): -33.8374 -33.8374 -33.8358 -33.8358 -14.8736 -14.8736 -14.8667 -14.8667 -13.5018 -13.5018 -13.4681 -13.4681 -13.4067 -13.4067 -13.3715 -13.3715 3.3527 3.3527 4.5858 4.5858 6.3765 6.3765 7.1174 7.1174 7.3484 7.3484 7.5845 7.5845 8.4692 8.4692 8.6790 8.6790 11.5061 11.5061 11.5881 11.5881 k = 0.0000 0.8326 0.5215 ( 2740 PWs) bands (ev): -33.8373 -33.8373 -33.8359 -33.8359 -14.8735 -14.8735 -14.8673 -14.8673 -13.5010 -13.5010 -13.4701 -13.4701 -13.4053 -13.4053 -13.3731 -13.3731 3.4017 3.4017 4.5164 4.5164 6.4291 6.4291 7.1031 7.1031 7.3386 7.3386 7.5656 7.5656 8.4767 8.4767 8.6723 8.6723 11.5768 11.5768 11.6320 11.6320 k = 0.0000 0.8326 0.5409 ( 2742 PWs) bands (ev): -33.8372 -33.8372 -33.8359 -33.8359 -14.8734 -14.8734 -14.8679 -14.8679 -13.5001 -13.5001 -13.4722 -13.4722 -13.4038 -13.4038 -13.3748 -13.3748 3.4523 3.4523 4.4469 4.4469 6.4825 6.4825 7.0867 7.0867 7.3303 7.3303 7.5439 7.5439 8.4879 8.4879 8.6662 8.6662 11.6453 11.6453 11.6738 11.6738 k = 0.0000 0.8326 0.5602 ( 2738 PWs) bands (ev): -33.8371 -33.8371 -33.8359 -33.8359 -14.8733 -14.8733 -14.8684 -14.8684 -13.4991 -13.4991 -13.4743 -13.4743 -13.4022 -13.4022 -13.3766 -13.3766 3.5045 3.5045 4.3776 4.3776 6.5361 6.5361 7.0684 7.0684 7.3238 7.3238 7.5198 7.5198 8.5018 8.5018 8.6604 8.6604 11.7089 11.7089 11.7155 11.7155 k = 0.0000 0.8326 0.5795 ( 2734 PWs) bands (ev): -33.8369 -33.8369 -33.8359 -33.8359 -14.8732 -14.8732 -14.8689 -14.8689 -13.4979 -13.4979 -13.4764 -13.4764 -13.4006 -13.4006 -13.3783 -13.3783 3.5583 3.5583 4.3086 4.3086 6.5894 6.5894 7.0483 7.0483 7.3194 7.3194 7.4939 7.4939 8.5175 8.5175 8.6547 8.6547 11.7514 11.7514 11.7732 11.7732 k = 0.0000 0.8326 0.5988 ( 2738 PWs) bands (ev): -33.8368 -33.8368 -33.8360 -33.8360 -14.8730 -14.8730 -14.8695 -14.8695 -13.4966 -13.4966 -13.4785 -13.4785 -13.3988 -13.3988 -13.3801 -13.3801 3.6136 3.6136 4.2403 4.2403 6.6419 6.6419 7.0262 7.0262 7.3174 7.3174 7.4672 7.4672 8.5340 8.5340 8.6488 8.6488 11.7894 11.7894 11.8293 11.8293 k = 0.0000 0.8326 0.6181 ( 2740 PWs) bands (ev): -33.8367 -33.8367 -33.8361 -33.8361 -14.8728 -14.8728 -14.8699 -14.8699 -13.4952 -13.4952 -13.4807 -13.4807 -13.3970 -13.3970 -13.3820 -13.3820 3.6704 3.6704 4.1726 4.1726 6.6930 6.6930 7.0017 7.0017 7.3180 7.3180 7.4406 7.4406 8.5506 8.5506 8.6425 8.6425 11.8270 11.8270 11.8786 11.8786 k = 0.0000 0.8326 0.6374 ( 2740 PWs) bands (ev): -33.8366 -33.8366 -33.8362 -33.8362 -14.8725 -14.8725 -14.8704 -14.8704 -13.4937 -13.4937 -13.4827 -13.4827 -13.3952 -13.3952 -13.3838 -13.3838 3.7287 3.7287 4.1059 4.1059 6.7422 6.7422 6.9745 6.9745 7.3217 7.3217 7.4150 7.4150 8.5667 8.5667 8.6354 8.6354 11.8640 11.8640 11.9187 11.9187 k = 0.0000 0.8326 0.6568 ( 2732 PWs) bands (ev): -33.8365 -33.8365 -33.8362 -33.8362 -14.8723 -14.8723 -14.8708 -14.8708 -13.4921 -13.4921 -13.4848 -13.4848 -13.3933 -13.3933 -13.3857 -13.3857 3.7884 3.7884 4.0401 4.0401 6.7890 6.7890 6.9443 6.9443 7.3286 7.3286 7.3915 7.3915 8.5817 8.5817 8.6274 8.6274 11.8992 11.8992 11.9464 11.9464 k = 0.0000 0.8326 0.6761 ( 2728 PWs) bands (ev): -33.8364 -33.8364 -33.8363 -33.8363 -14.8720 -14.8720 -14.8712 -14.8712 -13.4904 -13.4904 -13.4867 -13.4867 -13.3914 -13.3914 -13.3876 -13.3876 3.8494 3.8494 3.9753 3.9753 6.8329 6.8329 6.9107 6.9107 7.3390 7.3390 7.3706 7.3706 8.5953 8.5953 8.6181 8.6181 11.9299 11.9299 11.9579 11.9579 k = 0.0000 0.8326 0.6954 ( 2728 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8716 -14.8716 -14.8716 -14.8716 -13.4886 -13.4886 -13.4886 -13.4886 -13.3895 -13.3895 -13.3895 -13.3895 3.9118 3.9118 3.9118 3.9118 6.8735 6.8735 6.8735 6.8735 7.3530 7.3530 7.3530 7.3530 8.6074 8.6074 8.6074 8.6074 11.9514 11.9514 11.9514 11.9514 k = 0.0000 0.8326 0.6954 ( 2728 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8716 -14.8716 -14.8716 -14.8716 -13.4886 -13.4886 -13.4886 -13.4886 -13.3895 -13.3895 -13.3895 -13.3895 3.9118 3.9118 3.9118 3.9118 6.8735 6.8735 6.8735 6.8735 7.3530 7.3530 7.3530 7.3530 8.6074 8.6074 8.6074 8.6074 11.9514 11.9514 11.9514 11.9514 k = 0.0185 0.8326 0.6954 ( 2728 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8716 -14.8716 -14.8716 -14.8716 -13.4903 -13.4903 -13.4869 -13.4869 -13.3912 -13.3912 -13.3879 -13.3879 3.9113 3.9113 3.9128 3.9128 6.8698 6.8698 6.8723 6.8723 7.3519 7.3519 7.3585 7.3585 8.6069 8.6069 8.6080 8.6080 11.9510 11.9510 11.9514 11.9514 k = 0.0370 0.8326 0.6954 ( 2728 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8717 -14.8717 -14.8715 -14.8715 -13.4919 -13.4919 -13.4852 -13.4852 -13.3929 -13.3929 -13.3862 -13.3862 3.9114 3.9114 3.9143 3.9143 6.8613 6.8613 6.8660 6.8660 7.3551 7.3551 7.3681 7.3681 8.6065 8.6065 8.6086 8.6086 11.9501 11.9501 11.9509 11.9509 k = 0.0556 0.8326 0.6954 ( 2734 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8715 -14.8715 -13.4934 -13.4934 -13.4835 -13.4835 -13.3945 -13.3945 -13.3846 -13.3846 3.9120 3.9120 3.9163 3.9163 6.8488 6.8488 6.8554 6.8554 7.3623 7.3623 7.3809 7.3809 8.6062 8.6062 8.6093 8.6093 11.9482 11.9482 11.9495 11.9495 k = 0.0741 0.8326 0.6954 ( 2736 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8714 -14.8714 -13.4949 -13.4949 -13.4818 -13.4818 -13.3962 -13.3962 -13.3831 -13.3831 3.9130 3.9130 3.9188 3.9188 6.8332 6.8332 6.8409 6.8409 7.3725 7.3725 7.3963 7.3963 8.6059 8.6059 8.6100 8.6100 11.9443 11.9443 11.9461 11.9461 k = 0.0926 0.8326 0.6954 ( 2738 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8714 -14.8714 -13.4963 -13.4963 -13.4800 -13.4800 -13.3978 -13.3978 -13.3816 -13.3816 3.9145 3.9145 3.9217 3.9217 6.8152 6.8152 6.8237 6.8237 7.3851 7.3851 7.4133 7.4133 8.6057 8.6057 8.6108 8.6108 11.9365 11.9365 11.9392 11.9392 k = 0.1111 0.8326 0.6954 ( 2730 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8713 -14.8713 -13.4976 -13.4976 -13.4784 -13.4784 -13.3993 -13.3993 -13.3801 -13.3801 3.9164 3.9164 3.9249 3.9249 6.7958 6.7958 6.8045 6.8045 7.3992 7.3992 7.4312 7.4312 8.6057 8.6057 8.6117 8.6117 11.9225 11.9225 11.9262 11.9262 k = 0.1297 0.8326 0.6954 ( 2728 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8712 -14.8712 -13.4989 -13.4989 -13.4767 -13.4767 -13.4008 -13.4008 -13.3788 -13.3788 3.9185 3.9185 3.9283 3.9283 6.7756 6.7756 6.7842 6.7842 7.4139 7.4139 7.4491 7.4491 8.6058 8.6058 8.6126 8.6126 11.9007 11.9007 11.9053 11.9053 k = 0.1482 0.8326 0.6954 ( 2730 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8716 -14.8716 -14.8712 -14.8712 -13.5000 -13.5000 -13.4751 -13.4751 -13.4022 -13.4022 -13.3775 -13.3775 3.9209 3.9209 3.9318 3.9318 6.7552 6.7552 6.7635 6.7635 7.4286 7.4286 7.4665 7.4665 8.6061 8.6061 8.6135 8.6135 11.8722 11.8722 11.8774 11.8774 k = 0.1667 0.8326 0.6954 ( 2738 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8716 -14.8716 -14.8711 -14.8711 -13.5010 -13.5010 -13.4736 -13.4736 -13.4035 -13.4035 -13.3762 -13.3762 3.9233 3.9233 3.9353 3.9353 6.7353 6.7353 6.7431 6.7431 7.4429 7.4429 7.4829 7.4829 8.6065 8.6065 8.6145 8.6145 11.8402 11.8402 11.8454 11.8454 k = 0.1852 0.8326 0.6954 ( 2744 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8716 -14.8716 -14.8710 -14.8710 -13.5019 -13.5019 -13.4722 -13.4722 -13.4048 -13.4048 -13.3751 -13.3751 3.9257 3.9257 3.9387 3.9387 6.7164 6.7164 6.7236 6.7236 7.4561 7.4561 7.4979 7.4979 8.6070 8.6070 8.6155 8.6155 11.8075 11.8075 11.8126 11.8126 k = 0.2037 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8715 -14.8715 -14.8709 -14.8709 -13.5027 -13.5027 -13.4709 -13.4709 -13.4058 -13.4058 -13.3740 -13.3740 3.9280 3.9280 3.9418 3.9418 6.6987 6.6987 6.7053 6.7053 7.4681 7.4681 7.5113 7.5113 8.6076 8.6076 8.6166 8.6166 11.7762 11.7762 11.7809 11.7809 k = 0.2223 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8714 -14.8714 -14.8708 -14.8708 -13.5034 -13.5034 -13.4696 -13.4696 -13.4068 -13.4068 -13.3731 -13.3731 3.9300 3.9300 3.9446 3.9446 6.6828 6.6828 6.6888 6.6888 7.4786 7.4786 7.5227 7.5227 8.6084 8.6084 8.6175 8.6175 11.7476 11.7476 11.7518 11.7518 k = 0.2408 0.8326 0.6954 ( 2746 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8713 -14.8713 -14.8707 -14.8707 -13.5040 -13.5040 -13.4686 -13.4686 -13.4076 -13.4076 -13.3722 -13.3722 3.9315 3.9315 3.9468 3.9468 6.6689 6.6689 6.6744 6.6744 7.4874 7.4874 7.5321 7.5321 8.6092 8.6092 8.6185 8.6185 11.7224 11.7224 11.7262 11.7262 k = 0.2593 0.8326 0.6954 ( 2740 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8712 -14.8712 -14.8706 -14.8706 -13.5044 -13.5044 -13.4676 -13.4676 -13.4083 -13.4083 -13.3715 -13.3715 3.9325 3.9325 3.9483 3.9483 6.6573 6.6573 6.6624 6.6624 7.4944 7.4944 7.5395 7.5395 8.6100 8.6100 8.6192 8.6192 11.7010 11.7010 11.7045 11.7045 k = 0.2778 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8711 -14.8711 -14.8705 -14.8705 -13.5048 -13.5048 -13.4668 -13.4668 -13.4088 -13.4088 -13.3708 -13.3708 3.9329 3.9329 3.9490 3.9490 6.6482 6.6482 6.6531 6.6531 7.4997 7.4997 7.5447 7.5447 8.6108 8.6108 8.6199 8.6199 11.6838 11.6838 11.6871 11.6871 k = 0.2778 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8711 -14.8711 -14.8705 -14.8705 -13.5048 -13.5048 -13.4668 -13.4668 -13.4088 -13.4088 -13.3708 -13.3708 3.9329 3.9329 3.9490 3.9490 6.6482 6.6482 6.6531 6.6531 7.4997 7.4997 7.5447 7.5447 8.6108 8.6108 8.6199 8.6199 11.6838 11.6838 11.6871 11.6871 k = 0.2718 0.8145 0.6954 ( 2744 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8715 -14.8715 -14.8708 -14.8708 -13.5038 -13.5038 -13.4691 -13.4691 -13.4074 -13.4074 -13.3728 -13.3728 3.9318 3.9318 3.9469 3.9469 6.6737 6.6737 6.6792 6.6792 7.4863 7.4863 7.5318 7.5318 8.6096 8.6096 8.6194 8.6194 11.7303 11.7303 11.7343 11.7343 k = 0.2658 0.7964 0.6954 ( 2744 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8718 -14.8718 -14.8711 -14.8711 -13.5027 -13.5027 -13.4712 -13.4712 -13.4060 -13.4060 -13.3747 -13.3747 3.9283 3.9283 3.9424 3.9424 6.7002 6.7002 6.7062 6.7062 7.4746 7.4746 7.5204 7.5204 8.6105 8.6105 8.6212 8.6212 11.7705 11.7705 11.7753 11.7753 k = 0.2597 0.7783 0.6954 ( 2736 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8719 -14.8719 -14.8712 -14.8712 -13.5014 -13.5014 -13.4731 -13.4731 -13.4045 -13.4045 -13.3766 -13.3766 3.9225 3.9225 3.9356 3.9356 6.7279 6.7279 6.7342 6.7342 7.4647 7.4647 7.5106 7.5106 8.6129 8.6129 8.6246 8.6246 11.8017 11.8017 11.8075 11.8075 k = 0.2537 0.7602 0.6954 ( 2732 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8720 -14.8720 -14.8712 -14.8712 -13.4999 -13.4999 -13.4748 -13.4748 -13.4030 -13.4030 -13.3784 -13.3784 3.9143 3.9143 3.9263 3.9263 6.7570 6.7570 6.7635 6.7635 7.4564 7.4564 7.5022 7.5022 8.6162 8.6162 8.6289 8.6289 11.8173 11.8173 11.8237 11.8237 k = 0.2476 0.7421 0.6954 ( 2732 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8720 -14.8720 -14.8712 -14.8712 -13.4981 -13.4981 -13.4763 -13.4763 -13.4015 -13.4015 -13.3803 -13.3803 3.9038 3.9038 3.9148 3.9148 6.7875 6.7875 6.7941 6.7941 7.4497 7.4497 7.4953 7.4953 8.6197 8.6197 8.6336 8.6336 11.8081 11.8081 11.8142 11.8142 k = 0.2416 0.7240 0.6954 ( 2724 PWs) bands (ev): -33.8363 -33.8363 -33.8363 -33.8363 -14.8719 -14.8719 -14.8710 -14.8710 -13.4962 -13.4962 -13.4777 -13.4777 -13.3999 -13.3999 -13.3822 -13.3822 3.8911 3.8911 3.9010 3.9010 6.8197 6.8197 6.8263 6.8263 7.4448 7.4448 7.4899 7.4899 8.6227 8.6227 8.6378 8.6378 11.7778 11.7778 11.7832 11.7832 k = 0.2356 0.7059 0.6954 ( 2722 PWs) bands (ev): -33.8364 -33.8364 -33.8364 -33.8364 -14.8717 -14.8717 -14.8707 -14.8707 -13.4941 -13.4941 -13.4788 -13.4788 -13.3984 -13.3984 -13.3840 -13.3840 3.8764 3.8764 3.8851 3.8851 6.8536 6.8536 6.8598 6.8598 7.4415 7.4415 7.4860 7.4860 8.6245 8.6245 8.6409 8.6409 11.7386 11.7386 11.7434 11.7434 k = 0.2295 0.6878 0.6954 ( 2726 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8713 -14.8713 -14.8704 -14.8704 -13.4917 -13.4917 -13.4797 -13.4797 -13.3968 -13.3968 -13.3858 -13.3858 3.8596 3.8596 3.8673 3.8673 6.8890 6.8890 6.8948 6.8948 7.4401 7.4401 7.4839 7.4839 8.6244 8.6244 8.6421 8.6421 11.6977 11.6977 11.7020 11.7020 k = 0.2235 0.6697 0.6954 ( 2722 PWs) bands (ev): -33.8365 -33.8365 -33.8365 -33.8365 -14.8709 -14.8709 -14.8699 -14.8699 -13.4892 -13.4892 -13.4805 -13.4805 -13.3951 -13.3951 -13.3876 -13.3876 3.8410 3.8410 3.8476 3.8476 6.9259 6.9259 6.9310 6.9310 7.4408 7.4408 7.4836 7.4836 8.6218 8.6218 8.6408 8.6408 11.6583 11.6583 11.6624 11.6624 k = 0.2174 0.6516 0.6954 ( 2726 PWs) bands (ev): -33.8367 -33.8367 -33.8367 -33.8367 -14.8704 -14.8704 -14.8694 -14.8694 -13.4864 -13.4864 -13.4810 -13.4810 -13.3935 -13.3935 -13.3894 -13.3894 3.8206 3.8206 3.8262 3.8262 6.9640 6.9640 6.9683 6.9683 7.4437 7.4437 7.4854 7.4854 8.6159 8.6159 8.6363 8.6363 11.6226 11.6226 11.6264 11.6264 k = 0.2114 0.6335 0.6954 ( 2722 PWs) bands (ev): -33.8368 -33.8368 -33.8368 -33.8368 -14.8698 -14.8698 -14.8687 -14.8687 -13.4834 -13.4834 -13.4814 -13.4814 -13.3918 -13.3918 -13.3912 -13.3912 3.7987 3.7987 3.8032 3.8032 7.0031 7.0031 7.0061 7.0061 7.4493 7.4493 7.4894 7.4894 8.6063 8.6063 8.6281 8.6281 11.5919 11.5919 11.5953 11.5953 k = 0.2054 0.6154 0.6954 ( 2734 PWs) bands (ev): -33.8370 -33.8370 -33.8370 -33.8370 -14.8691 -14.8691 -14.8680 -14.8680 -13.4817 -13.4817 -13.4803 -13.4803 -13.3929 -13.3929 -13.3901 -13.3901 3.7754 3.7754 3.7789 3.7789 7.0428 7.0428 7.0441 7.0441 7.4579 7.4579 7.4962 7.4962 8.5925 8.5925 8.6157 8.6157 11.5671 11.5671 11.5701 11.5701 k = 0.1993 0.5973 0.6954 ( 2738 PWs) bands (ev): -33.8372 -33.8372 -33.8372 -33.8372 -14.8683 -14.8683 -14.8672 -14.8672 -13.4817 -13.4817 -13.4770 -13.4770 -13.3947 -13.3947 -13.3883 -13.3883 3.7507 3.7507 3.7534 3.7534 7.0815 7.0815 7.0824 7.0824 7.4702 7.4702 7.5061 7.5061 8.5744 8.5744 8.5989 8.5989 11.5488 11.5488 11.5514 11.5514 k = 0.1933 0.5792 0.6954 ( 2734 PWs) bands (ev): -33.8374 -33.8374 -33.8374 -33.8374 -14.8675 -14.8675 -14.8663 -14.8663 -13.4817 -13.4817 -13.4735 -13.4735 -13.3964 -13.3964 -13.3865 -13.3865 3.7250 3.7250 3.7267 3.7267 7.1176 7.1176 7.1212 7.1212 7.4869 7.4869 7.5198 7.5198 8.5518 8.5518 8.5776 8.5776 11.5373 11.5373 11.5394 11.5394 k = 0.1872 0.5611 0.6954 ( 2734 PWs) bands (ev): -33.8376 -33.8376 -33.8376 -33.8376 -14.8665 -14.8665 -14.8654 -14.8654 -13.4815 -13.4815 -13.4698 -13.4698 -13.3981 -13.3981 -13.3847 -13.3847 3.6984 3.6984 3.6992 3.6992 7.1513 7.1513 7.1584 7.1584 7.5087 7.5087 7.5380 7.5380 8.5248 8.5248 8.5517 8.5517 11.5328 11.5328 11.5341 11.5341 k = 0.1812 0.5430 0.6954 ( 2734 PWs) bands (ev): -33.8378 -33.8378 -33.8378 -33.8378 -14.8655 -14.8655 -14.8644 -14.8644 -13.4811 -13.4811 -13.4661 -13.4661 -13.3997 -13.3997 -13.3828 -13.3828 3.6709 3.6709 3.6709 3.6709 7.1818 7.1818 7.1929 7.1929 7.5363 7.5363 7.5615 7.5615 8.4935 8.4935 8.5215 8.5215 11.5349 11.5349 11.5353 11.5353 k = 0.1752 0.5249 0.6954 ( 2734 PWs) bands (ev): -33.8381 -33.8381 -33.8381 -33.8381 -14.8645 -14.8645 -14.8633 -14.8633 -13.4807 -13.4807 -13.4621 -13.4621 -13.4013 -13.4013 -13.3809 -13.3809 3.6420 3.6420 3.6428 3.6428 7.2086 7.2086 7.2238 7.2238 7.5701 7.5701 7.5910 7.5910 8.4585 8.4585 8.4873 8.4873 11.5426 11.5426 11.5432 11.5432 k = 0.1691 0.5068 0.6954 ( 2730 PWs) bands (ev): -33.8383 -33.8383 -33.8383 -33.8383 -14.8634 -14.8634 -14.8622 -14.8622 -13.4801 -13.4801 -13.4581 -13.4581 -13.4029 -13.4029 -13.3789 -13.3789 3.6127 3.6127 3.6141 3.6141 7.2313 7.2313 7.2507 7.2507 7.6101 7.6101 7.6268 7.6268 8.4200 8.4200 8.4497 8.4497 11.5551 11.5551 11.5569 11.5569 k = 0.1631 0.4887 0.6954 ( 2738 PWs) bands (ev): -33.8386 -33.8386 -33.8386 -33.8386 -14.8622 -14.8622 -14.8610 -14.8610 -13.4795 -13.4795 -13.4541 -13.4541 -13.4044 -13.4044 -13.3769 -13.3769 3.5831 3.5831 3.5852 3.5852 7.2500 7.2500 7.2731 7.2731 7.6560 7.6560 7.6688 7.6688 8.3789 8.3789 8.4092 8.4092 11.5718 11.5718 11.5750 11.5750 k = 0.1570 0.4706 0.6954 ( 2738 PWs) bands (ev): -33.8389 -33.8389 -33.8389 -33.8389 -14.8610 -14.8610 -14.8598 -14.8598 -13.4788 -13.4788 -13.4500 -13.4500 -13.4058 -13.4058 -13.3749 -13.3749 3.5533 3.5533 3.5560 3.5560 7.2651 7.2651 7.2912 7.2912 7.7071 7.7071 7.7166 7.7166 8.3357 8.3357 8.3665 8.3665 11.5916 11.5916 11.5963 11.5963 k = 0.1510 0.4525 0.6954 ( 2746 PWs) bands (ev): -33.8392 -33.8392 -33.8392 -33.8392 -14.8598 -14.8598 -14.8586 -14.8586 -13.4780 -13.4780 -13.4459 -13.4459 -13.4070 -13.4070 -13.3728 -13.3728 3.5235 3.5235 3.5267 3.5267 7.2769 7.2769 7.3054 7.3054 7.7626 7.7626 7.7695 7.7695 8.2912 8.2912 8.3223 8.3223 11.6133 11.6133 11.6195 11.6195 k = 0.1450 0.4344 0.6954 ( 2746 PWs) bands (ev): -33.8395 -33.8395 -33.8395 -33.8395 -14.8586 -14.8586 -14.8574 -14.8574 -13.4771 -13.4771 -13.4420 -13.4420 -13.4080 -13.4080 -13.3707 -13.3707 3.4938 3.4938 3.4975 3.4975 7.2858 7.2858 7.3160 7.3160 7.8218 7.8218 7.8266 7.8266 8.2463 8.2463 8.2775 8.2775 11.6354 11.6354 11.6430 11.6430 k = 0.1389 0.4163 0.6954 ( 2754 PWs) bands (ev): -33.8399 -33.8399 -33.8399 -33.8399 -14.8573 -14.8573 -14.8561 -14.8561 -13.4762 -13.4762 -13.4383 -13.4383 -13.4087 -13.4087 -13.3686 -13.3686 3.4643 3.4643 3.4684 3.4684 7.2919 7.2919 7.3233 7.3233 7.8839 7.8839 7.8871 7.8871 8.2017 8.2017 8.2328 8.2328 11.6568 11.6568 11.6657 11.6657 k = 0.1329 0.3982 0.6954 ( 2758 PWs) bands (ev): -33.8402 -33.8402 -33.8402 -33.8402 -14.8561 -14.8561 -14.8549 -14.8549 -13.4753 -13.4753 -13.4350 -13.4350 -13.4089 -13.4089 -13.3664 -13.3664 3.4352 3.4352 3.4397 3.4397 7.2955 7.2955 7.3274 7.3274 7.9483 7.9483 7.9501 7.9501 8.1587 8.1587 8.1893 8.1893 11.6764 11.6764 11.6863 11.6863 k = 0.1268 0.3801 0.6954 ( 2762 PWs) bands (ev): -33.8405 -33.8405 -33.8405 -33.8405 -14.8548 -14.8548 -14.8537 -14.8537 -13.4743 -13.4743 -13.4324 -13.4324 -13.4084 -13.4084 -13.3643 -13.3643 3.4066 3.4066 3.4113 3.4113 7.2964 7.2964 7.3284 7.3284 8.0135 8.0135 8.0135 8.0135 8.1194 8.1194 8.1485 8.1485 11.6934 11.6934 11.7040 11.7040 k = 0.1208 0.3620 0.6954 ( 2762 PWs) bands (ev): -33.8409 -33.8409 -33.8409 -33.8409 -14.8536 -14.8536 -14.8524 -14.8524 -13.4733 -13.4733 -13.4306 -13.4306 -13.4070 -13.4070 -13.3622 -13.3622 3.3785 3.3785 3.3835 3.3835 7.2947 7.2947 7.3263 7.3263 8.0561 8.0561 8.0701 8.0701 8.1052 8.1052 8.1201 8.1201 11.7074 11.7074 11.7184 11.7184 k = 0.1148 0.3439 0.6954 ( 2762 PWs) bands (ev): -33.8412 -33.8412 -33.8412 -33.8412 -14.8523 -14.8523 -14.8512 -14.8512 -13.4723 -13.4723 -13.4297 -13.4297 -13.4047 -13.4047 -13.3601 -13.3601 3.3511 3.3511 3.3563 3.3563 7.2903 7.2903 7.3210 7.3210 8.0330 8.0330 8.0603 8.0603 8.1612 8.1612 8.1621 8.1621 11.7183 11.7183 11.7294 11.7294 k = 0.1087 0.3258 0.6954 ( 2762 PWs) bands (ev): -33.8415 -33.8415 -33.8415 -33.8415 -14.8511 -14.8511 -14.8501 -14.8501 -13.4712 -13.4712 -13.4296 -13.4296 -13.4017 -13.4017 -13.3580 -13.3580 3.3245 3.3245 3.3298 3.3298 7.2831 7.2831 7.3125 7.3125 8.0022 8.0022 8.0289 8.0289 8.2295 8.2295 8.2299 8.2299 11.7261 11.7261 11.7371 11.7371 k = 0.1027 0.3077 0.6954 ( 2754 PWs) bands (ev): -33.8418 -33.8418 -33.8418 -33.8418 -14.8499 -14.8499 -14.8489 -14.8489 -13.4702 -13.4702 -13.4301 -13.4301 -13.3981 -13.3981 -13.3560 -13.3560 3.2988 3.2988 3.3042 3.3042 7.2731 7.2731 7.3008 7.3008 7.9741 7.9741 7.9992 7.9992 8.2997 8.2997 8.3001 8.3001 11.7311 11.7311 11.7419 11.7419 k = 0.0966 0.2896 0.6954 ( 2754 PWs) bands (ev): -33.8421 -33.8421 -33.8421 -33.8421 -14.8488 -14.8488 -14.8478 -14.8478 -13.4691 -13.4691 -13.4309 -13.4309 -13.3942 -13.3942 -13.3540 -13.3540 3.2741 3.2741 3.2794 3.2794 7.2604 7.2604 7.2861 7.2861 7.9498 7.9498 7.9729 7.9729 8.3703 8.3703 8.3707 8.3707 11.7335 11.7335 11.7440 11.7440 k = 0.0906 0.2715 0.6954 ( 2758 PWs) bands (ev): -33.8424 -33.8424 -33.8424 -33.8424 -14.8476 -14.8476 -14.8467 -14.8467 -13.4680 -13.4680 -13.4319 -13.4319 -13.3901 -13.3901 -13.3521 -13.3521 3.2504 3.2504 3.2557 3.2557 7.2453 7.2453 7.2688 7.2688 7.9294 7.9294 7.9504 7.9504 8.4407 8.4407 8.4412 8.4412 11.7336 11.7336 11.7437 11.7437 k = 0.0846 0.2534 0.6954 ( 2758 PWs) bands (ev): -33.8427 -33.8427 -33.8427 -33.8427 -14.8466 -14.8466 -14.8457 -14.8457 -13.4670 -13.4670 -13.4331 -13.4331 -13.3860 -13.3860 -13.3503 -13.3503 3.2279 3.2279 3.2331 3.2331 7.2282 7.2282 7.2493 7.2493 7.9129 7.9129 7.9316 7.9316 8.5105 8.5105 8.5110 8.5110 11.7316 11.7316 11.7414 11.7414 k = 0.0785 0.2353 0.6954 ( 2762 PWs) bands (ev): -33.8430 -33.8430 -33.8429 -33.8429 -14.8456 -14.8456 -14.8447 -14.8447 -13.4659 -13.4659 -13.4343 -13.4343 -13.3820 -13.3820 -13.3486 -13.3486 3.2066 3.2066 3.2116 3.2116 7.2094 7.2094 7.2281 7.2281 7.8999 7.8999 7.9163 7.9163 8.5790 8.5790 8.5796 8.5796 11.7280 11.7280 11.7373 11.7373 k = 0.0725 0.2172 0.6954 ( 2758 PWs) bands (ev): -33.8432 -33.8432 -33.8432 -33.8432 -14.8446 -14.8446 -14.8438 -14.8438 -13.4648 -13.4648 -13.4356 -13.4356 -13.3779 -13.3779 -13.3471 -13.3471 3.1865 3.1865 3.1914 3.1914 7.1895 7.1895 7.2060 7.2060 7.8900 7.8900 7.9042 7.9042 8.6459 8.6459 8.6464 8.6464 11.7229 11.7229 11.7318 11.7318 k = 0.0664 0.1991 0.6954 ( 2750 PWs) bands (ev): -33.8434 -33.8434 -33.8434 -33.8434 -14.8437 -14.8437 -14.8430 -14.8430 -13.4637 -13.4637 -13.4369 -13.4369 -13.3740 -13.3740 -13.3457 -13.3457 3.1679 3.1679 3.1725 3.1725 7.1691 7.1691 7.1833 7.1833 7.8827 7.8827 7.8949 7.8949 8.7105 8.7105 8.7110 8.7110 11.7167 11.7167 11.7250 11.7250 k = 0.0604 0.1810 0.6954 ( 2742 PWs) bands (ev): -33.8436 -33.8436 -33.8436 -33.8436 -14.8428 -14.8428 -14.8422 -14.8422 -13.4626 -13.4626 -13.4383 -13.4383 -13.3702 -13.3702 -13.3445 -13.3445 3.1507 3.1507 3.1550 3.1550 7.1487 7.1487 7.1609 7.1609 7.8775 7.8775 7.8878 7.8878 8.7724 8.7724 8.7728 8.7728 11.7096 11.7096 11.7174 11.7174 k = 0.0544 0.1629 0.6954 ( 2742 PWs) bands (ev): -33.8438 -33.8438 -33.8438 -33.8438 -14.8421 -14.8421 -14.8415 -14.8415 -13.4615 -13.4615 -13.4396 -13.4396 -13.3666 -13.3666 -13.3434 -13.3434 3.1349 3.1349 3.1389 3.1389 7.1288 7.1288 7.1392 7.1392 7.8741 7.8741 7.8827 7.8827 8.8309 8.8309 8.8313 8.8313 11.7021 11.7021 11.7092 11.7092 k = 0.0483 0.1448 0.6954 ( 2742 PWs) bands (ev): -33.8440 -33.8440 -33.8440 -33.8440 -14.8414 -14.8414 -14.8408 -14.8408 -13.4604 -13.4604 -13.4410 -13.4410 -13.3632 -13.3632 -13.3426 -13.3426 3.1207 3.1207 3.1244 3.1244 7.1099 7.1099 7.1186 7.1186 7.8720 7.8720 7.8791 7.8791 8.8855 8.8855 8.8858 8.8858 11.6943 11.6943 11.7008 11.7008 k = 0.0423 0.1267 0.6954 ( 2740 PWs) bands (ev): -33.8442 -33.8442 -33.8442 -33.8442 -14.8407 -14.8407 -14.8402 -14.8402 -13.4593 -13.4593 -13.4423 -13.4423 -13.3600 -13.3600 -13.3419 -13.3419 3.1081 3.1081 3.1114 3.1114 7.0923 7.0923 7.0995 7.0995 7.8708 7.8708 7.8766 7.8766 8.9355 8.9355 8.9357 8.9357 11.6866 11.6866 11.6924 11.6924 k = 0.0362 0.1086 0.6954 ( 2736 PWs) bands (ev): -33.8443 -33.8443 -33.8443 -33.8443 -14.8402 -14.8402 -14.8398 -14.8398 -13.4582 -13.4582 -13.4436 -13.4436 -13.3570 -13.3570 -13.3415 -13.3415 3.0971 3.0971 3.1000 3.1000 7.0765 7.0765 7.0824 7.0824 7.8704 7.8704 7.8750 7.8750 8.9804 8.9804 8.9806 8.9806 11.6793 11.6793 11.6844 11.6844 k = 0.0302 0.0905 0.6954 ( 2748 PWs) bands (ev): -33.8445 -33.8445 -33.8445 -33.8445 -14.8397 -14.8397 -14.8393 -14.8393 -13.4571 -13.4571 -13.4450 -13.4450 -13.3542 -13.3542 -13.3413 -13.3413 3.0878 3.0878 3.0902 3.0902 7.0628 7.0628 7.0675 7.0675 7.8704 7.8704 7.8740 7.8740 9.0196 9.0196 9.0197 9.0197 11.6728 11.6728 11.6770 11.6770 k = 0.0242 0.0724 0.6954 ( 2752 PWs) bands (ev): -33.8446 -33.8446 -33.8446 -33.8446 -14.8393 -14.8393 -14.8390 -14.8390 -13.4560 -13.4560 -13.4463 -13.4463 -13.3517 -13.3517 -13.3414 -13.3414 3.0802 3.0802 3.0821 3.0821 7.0512 7.0512 7.0549 7.0549 7.8707 7.8707 7.8735 7.8735 9.0525 9.0525 9.0526 9.0526 11.6671 11.6671 11.6705 11.6705 k = 0.0181 0.0543 0.6954 ( 2744 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8390 -14.8390 -14.8387 -14.8387 -13.4548 -13.4548 -13.4475 -13.4475 -13.3495 -13.3495 -13.3417 -13.3417 3.0743 3.0743 3.0758 3.0758 7.0422 7.0422 7.0448 7.0448 7.8711 7.8711 7.8731 7.8731 9.0786 9.0786 9.0787 9.0787 11.6626 11.6626 11.6652 11.6652 k = 0.0121 0.0362 0.6954 ( 2744 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8387 -14.8387 -14.8386 -14.8386 -13.4536 -13.4536 -13.4488 -13.4488 -13.3475 -13.3475 -13.3423 -13.3423 3.0701 3.0701 3.0711 3.0711 7.0357 7.0357 7.0375 7.0375 7.8716 7.8716 7.8729 7.8729 9.0976 9.0976 9.0977 9.0977 11.6593 11.6593 11.6611 11.6611 k = 0.0060 0.0181 0.6954 ( 2756 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8386 -14.8386 -14.8385 -14.8385 -13.4525 -13.4525 -13.4500 -13.4500 -13.3458 -13.3458 -13.3432 -13.3432 3.0677 3.0677 3.0682 3.0682 7.0320 7.0320 7.0328 7.0328 7.8720 7.8720 7.8727 7.8727 9.1092 9.1092 9.1092 9.1092 11.6575 11.6575 11.6584 11.6584 k = 0.0000 0.0000 0.6954 ( 2760 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8385 -14.8385 -14.8385 -14.8385 -13.4513 -13.4513 -13.4513 -13.4513 -13.3444 -13.3444 -13.3444 -13.3444 3.0671 3.0671 3.0671 3.0671 7.0310 7.0310 7.0310 7.0310 7.8724 7.8724 7.8724 7.8724 9.1130 9.1130 9.1130 9.1130 11.6572 11.6572 11.6572 11.6572 k = 0.0000 0.0000 0.6954 ( 2760 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8385 -14.8385 -14.8385 -14.8385 -13.4513 -13.4513 -13.4513 -13.4513 -13.3444 -13.3444 -13.3444 -13.3444 3.0671 3.0671 3.0671 3.0671 7.0310 7.0310 7.0310 7.0310 7.8724 7.8724 7.8724 7.8724 9.1130 9.1130 9.1130 9.1130 11.6572 11.6572 11.6572 11.6572 k = 0.0000 0.0000 0.6761 ( 2748 PWs) bands (ev): -33.8454 -33.8454 -33.8441 -33.8441 -14.8410 -14.8410 -14.8359 -14.8359 -13.4541 -13.4541 -13.4484 -13.4484 -13.3460 -13.3460 -13.3426 -13.3426 2.9716 2.9716 3.1638 3.1638 6.9550 6.9550 7.1078 7.1078 7.8335 7.8335 7.9122 7.9122 9.0928 9.0928 9.1358 9.1358 11.5949 11.5949 11.7118 11.7118 k = 0.0000 0.0000 0.6568 ( 2744 PWs) bands (ev): -33.8461 -33.8461 -33.8435 -33.8435 -14.8434 -14.8434 -14.8333 -14.8333 -13.4569 -13.4569 -13.4454 -13.4454 -13.3477 -13.3477 -13.3409 -13.3409 2.8774 2.8774 3.2616 3.2616 6.8803 6.8803 7.1845 7.1845 7.7960 7.7960 7.9525 7.9525 9.0752 9.0752 9.1611 9.1611 11.5261 11.5261 11.7576 11.7576 k = 0.0000 0.0000 0.6374 ( 2744 PWs) bands (ev): -33.8467 -33.8467 -33.8428 -33.8428 -14.8458 -14.8458 -14.8307 -14.8307 -13.4596 -13.4596 -13.4425 -13.4425 -13.3492 -13.3492 -13.3391 -13.3391 2.7847 2.7847 3.3601 3.3601 6.8072 6.8072 7.2602 7.2602 7.7609 7.7609 7.9931 7.9931 9.0600 9.0600 9.1890 9.1890 11.4522 11.4522 11.7937 11.7937 k = 0.0000 0.0000 0.6181 ( 2740 PWs) bands (ev): -33.8474 -33.8474 -33.8422 -33.8422 -14.8481 -14.8481 -14.8280 -14.8280 -13.4622 -13.4622 -13.4395 -13.4395 -13.3507 -13.3507 -13.3373 -13.3373 2.6936 2.6936 3.4591 3.4591 6.7363 6.7363 7.3325 7.3325 7.7301 7.7301 8.0338 8.0338 9.0472 9.0472 9.2195 9.2195 11.3743 11.3743 11.8199 11.8199 k = 0.0000 0.0000 0.5988 ( 2748 PWs) bands (ev): -33.8481 -33.8481 -33.8416 -33.8416 -14.8504 -14.8504 -14.8253 -14.8253 -13.4648 -13.4648 -13.4365 -13.4365 -13.3520 -13.3520 -13.3355 -13.3355 2.6043 2.6043 3.5585 3.5585 6.6678 6.6678 7.3973 7.3973 7.7080 7.7080 8.0745 8.0745 9.0368 9.0368 9.2526 9.2526 11.2937 11.2937 11.8363 11.8363 k = 0.0000 0.0000 0.5795 ( 2748 PWs) bands (ev): -33.8487 -33.8487 -33.8410 -33.8410 -14.8525 -14.8525 -14.8226 -14.8226 -13.4673 -13.4673 -13.4336 -13.4336 -13.3532 -13.3532 -13.3337 -13.3337 2.5168 2.5168 3.6577 3.6577 6.6023 6.6023 7.4455 7.4455 7.7031 7.7031 8.1149 8.1149 9.0288 9.0288 9.2883 9.2883 11.2114 11.2114 11.8433 11.8433 k = 0.0000 0.0000 0.5602 ( 2756 PWs) bands (ev): -33.8494 -33.8494 -33.8405 -33.8405 -14.8547 -14.8547 -14.8199 -14.8199 -13.4696 -13.4696 -13.4307 -13.4307 -13.3543 -13.3543 -13.3319 -13.3319 2.4313 2.4313 3.7566 3.7566 6.5401 6.5401 7.4661 7.4661 7.7264 7.7264 8.1548 8.1548 9.0231 9.0231 9.3267 9.3267 11.1283 11.1283 11.8419 11.8419 k = 0.0000 0.0000 0.5409 ( 2750 PWs) bands (ev): -33.8500 -33.8500 -33.8399 -33.8399 -14.8567 -14.8567 -14.8171 -14.8171 -13.4719 -13.4719 -13.4278 -13.4278 -13.3552 -13.3552 -13.3301 -13.3301 2.3479 2.3479 3.8545 3.8545 6.4818 6.4818 7.4600 7.4600 7.7770 7.7770 8.1942 8.1942 9.0195 9.0195 9.3676 9.3676 11.0453 11.0453 11.8333 11.8333 k = 0.0000 0.0000 0.5215 ( 2750 PWs) bands (ev): -33.8507 -33.8507 -33.8393 -33.8393 -14.8587 -14.8587 -14.8144 -14.8144 -13.4741 -13.4741 -13.4251 -13.4251 -13.3560 -13.3560 -13.3283 -13.3283 2.2666 2.2666 3.9511 3.9511 6.4279 6.4279 7.4384 7.4384 7.8433 7.8433 8.2327 8.2327 9.0182 9.0182 9.4112 9.4112 10.9632 10.9632 11.8184 11.8184 k = 0.0000 0.0000 0.5022 ( 2754 PWs) bands (ev): -33.8513 -33.8513 -33.8388 -33.8388 -14.8605 -14.8605 -14.8116 -14.8116 -13.4762 -13.4762 -13.4225 -13.4225 -13.3565 -13.3565 -13.3266 -13.3266 2.1876 2.1876 4.0457 4.0457 6.3790 6.3790 7.4095 7.4095 7.9171 7.9171 8.2701 8.2701 9.0188 9.0188 9.4573 9.4573 10.8826 10.8826 11.7986 11.7986 k = 0.0000 0.0000 0.4829 ( 2756 PWs) bands (ev): -33.8520 -33.8520 -33.8383 -33.8383 -14.8623 -14.8623 -14.8089 -14.8089 -13.4782 -13.4782 -13.4200 -13.4200 -13.3569 -13.3569 -13.3249 -13.3249 2.1109 2.1109 4.1375 4.1375 6.3359 6.3359 7.3773 7.3773 7.9941 7.9941 8.3062 8.3062 9.0215 9.0215 9.5059 9.5059 10.8042 10.8042 11.7749 11.7749 k = 0.0000 0.0000 0.4636 ( 2760 PWs) bands (ev): -33.8526 -33.8526 -33.8378 -33.8378 -14.8641 -14.8641 -14.8062 -14.8062 -13.4801 -13.4801 -13.4177 -13.4177 -13.3569 -13.3569 -13.3232 -13.3232 2.0366 2.0366 4.2257 4.2257 6.2995 6.2995 7.3437 7.3437 8.0724 8.0724 8.3406 8.3406 9.0261 9.0261 9.5570 9.5570 10.7285 10.7285 11.7484 11.7484 k = 0.0000 0.0000 0.4443 ( 2760 PWs) bands (ev): -33.8532 -33.8532 -33.8373 -33.8373 -14.8657 -14.8657 -14.8035 -14.8035 -13.4820 -13.4820 -13.4156 -13.4156 -13.3568 -13.3568 -13.3216 -13.3216 1.9647 1.9647 4.3095 4.3095 6.2705 6.2705 7.3096 7.3096 8.1509 8.1509 8.3729 8.3729 9.0324 9.0324 9.6106 9.6106 10.6560 10.6560 11.7201 11.7201 k = 0.0000 0.0000 0.4250 ( 2756 PWs) bands (ev): -33.8538 -33.8538 -33.8368 -33.8368 -14.8673 -14.8673 -14.8009 -14.8009 -13.4837 -13.4837 -13.4137 -13.4137 -13.3564 -13.3564 -13.3201 -13.3201 1.8954 1.8954 4.3878 4.3878 6.2501 6.2501 7.2754 7.2754 8.2288 8.2288 8.4029 8.4029 9.0404 9.0404 9.6666 9.6666 10.5873 10.5873 11.6908 11.6908 k = 0.0000 0.0000 0.4056 ( 2752 PWs) bands (ev): -33.8544 -33.8544 -33.8363 -33.8363 -14.8688 -14.8688 -14.7983 -14.7983 -13.4853 -13.4853 -13.4120 -13.4120 -13.3557 -13.3557 -13.3185 -13.3185 1.8287 1.8287 4.4596 4.4596 6.2393 6.2393 7.2416 7.2416 8.3058 8.3058 8.4300 8.4300 9.0500 9.0500 9.7248 9.7248 10.5229 10.5229 11.6613 11.6613 k = 0.0000 0.0000 0.3863 ( 2756 PWs) bands (ev): -33.8550 -33.8550 -33.8358 -33.8358 -14.8702 -14.8702 -14.7957 -14.7957 -13.4869 -13.4869 -13.4106 -13.4106 -13.3547 -13.3547 -13.3171 -13.3171 1.7646 1.7646 4.5238 4.5238 6.2390 6.2390 7.2084 7.2084 8.3813 8.3813 8.4538 8.4538 9.0611 9.0611 9.7853 9.7853 10.4632 10.4632 11.6321 11.6321 k = 0.0000 0.0000 0.3670 ( 2750 PWs) bands (ev): -33.8555 -33.8555 -33.8354 -33.8354 -14.8715 -14.8715 -14.7932 -14.7932 -13.4883 -13.4883 -13.4094 -13.4094 -13.3536 -13.3536 -13.3157 -13.3157 1.7033 1.7033 4.5796 4.5796 6.2500 6.2500 7.1759 7.1759 8.4545 8.4545 8.4743 8.4743 9.0734 9.0734 9.8479 9.8479 10.4086 10.4086 11.6037 11.6037 k = 0.0000 0.0000 0.3477 ( 2755 PWs) bands (ev): -33.8561 -33.8561 -33.8350 -33.8350 -14.8728 -14.8728 -14.7908 -14.7908 -13.4897 -13.4897 -13.4083 -13.4083 -13.3522 -13.3522 -13.3143 -13.3143 1.6448 1.6448 4.6265 4.6265 6.2728 6.2728 7.1444 7.1444 8.4885 8.4885 8.5275 8.5275 9.0869 9.0869 9.9124 9.9124 10.3595 10.3595 11.5765 11.5765 k = 0.0000 0.0000 0.3284 ( 2751 PWs) bands (ev): -33.8565 -33.8565 -33.8346 -33.8346 -14.8740 -14.8740 -14.7885 -14.7885 -13.4910 -13.4910 -13.4075 -13.4075 -13.3507 -13.3507 -13.3131 -13.3131 1.5890 1.5890 4.6642 4.6642 6.3074 6.3074 7.1139 7.1139 8.4994 8.4994 8.5967 8.5967 9.1014 9.1014 9.9787 9.9787 10.3164 10.3164 11.5509 11.5509 k = 0.0000 0.0000 0.3091 ( 2751 PWs) bands (ev): -33.8570 -33.8570 -33.8343 -33.8343 -14.8751 -14.8751 -14.7862 -14.7862 -13.4923 -13.4923 -13.4068 -13.4068 -13.3490 -13.3490 -13.3118 -13.3118 1.5362 1.5362 4.6931 4.6931 6.3536 6.3536 7.0846 7.0846 8.5048 8.5048 8.6634 8.6634 9.1167 9.1167 10.0463 10.0463 10.2796 10.2796 11.5269 11.5269 k = 0.0000 0.0000 0.2897 ( 2753 PWs) bands (ev): -33.8575 -33.8575 -33.8339 -33.8339 -14.8761 -14.8761 -14.7841 -14.7841 -13.4934 -13.4934 -13.4063 -13.4063 -13.3472 -13.3472 -13.3107 -13.3107 1.4863 1.4863 4.7139 4.7139 6.4104 6.4104 7.0565 7.0565 8.5043 8.5043 8.7273 8.7273 9.1327 9.1327 10.1142 10.1142 10.2502 10.2502 11.5047 11.5047 k = 0.0000 0.0000 0.2704 ( 2753 PWs) bands (ev): -33.8579 -33.8579 -33.8336 -33.8336 -14.8771 -14.8771 -14.7820 -14.7820 -13.4945 -13.4945 -13.4059 -13.4059 -13.3454 -13.3454 -13.3096 -13.3096 1.4394 1.4394 4.7274 4.7274 6.4768 6.4768 7.0298 7.0298 8.4978 8.4978 8.7881 8.7881 9.1492 9.1492 10.1755 10.1755 10.2347 10.2347 11.4842 11.4842 k = 0.0000 0.0000 0.2511 ( 2761 PWs) bands (ev): -33.8584 -33.8584 -33.8334 -33.8334 -14.8780 -14.8780 -14.7801 -14.7801 -13.4955 -13.4955 -13.4056 -13.4056 -13.3436 -13.3436 -13.3086 -13.3086 1.3956 1.3956 4.7349 4.7349 6.5515 6.5515 7.0047 7.0047 8.4849 8.4849 8.8456 8.8456 9.1660 9.1660 10.1903 10.1903 10.2727 10.2727 11.4624 11.4624 k = 0.0000 0.0000 0.2318 ( 2773 PWs) bands (ev): -33.8588 -33.8588 -33.8331 -33.8331 -14.8788 -14.8788 -14.7782 -14.7782 -13.4964 -13.4964 -13.4053 -13.4053 -13.3418 -13.3418 -13.3076 -13.3076 1.3548 1.3548 4.7375 4.7375 6.6330 6.6330 6.9811 6.9811 8.4656 8.4656 8.8995 8.8995 9.1828 9.1828 10.1807 10.1807 10.3412 10.3412 11.4286 11.4286 k = 0.0000 0.0000 0.2125 ( 2773 PWs) bands (ev): -33.8592 -33.8592 -33.8328 -33.8328 -14.8796 -14.8796 -14.7765 -14.7765 -13.4972 -13.4972 -13.4051 -13.4051 -13.3400 -13.3400 -13.3068 -13.3068 1.3171 1.3171 4.7363 4.7363 6.7199 6.7199 6.9594 6.9594 8.4399 8.4399 8.9497 8.9497 9.1995 9.1995 10.1726 10.1726 10.4137 10.4137 11.3937 11.3937 k = 0.0000 0.0000 0.1932 ( 2769 PWs) bands (ev): -33.8595 -33.8595 -33.8326 -33.8326 -14.8802 -14.8802 -14.7750 -14.7750 -13.4980 -13.4980 -13.4050 -13.4050 -13.3383 -13.3383 -13.3060 -13.3060 1.2826 1.2826 4.7324 4.7324 6.8101 6.8101 6.9404 6.9404 8.4078 8.4078 8.9959 8.9959 9.2158 9.2158 10.1681 10.1681 10.4870 10.4870 11.3606 11.3606 k = 0.0000 0.0000 0.1738 ( 2769 PWs) bands (ev): -33.8598 -33.8598 -33.8324 -33.8324 -14.8809 -14.8809 -14.7735 -14.7735 -13.4987 -13.4987 -13.4049 -13.4049 -13.3367 -13.3367 -13.3052 -13.3052 1.2512 1.2512 4.7267 4.7267 6.8925 6.8925 6.9341 6.9341 8.3694 8.3694 9.0382 9.0382 9.2315 9.2315 10.1668 10.1668 10.5601 10.5601 11.3298 11.3298 k = 0.0000 0.0000 0.1545 ( 2755 PWs) bands (ev): -33.8600 -33.8600 -33.8322 -33.8322 -14.8814 -14.8814 -14.7722 -14.7722 -13.4993 -13.4993 -13.4048 -13.4048 -13.3352 -13.3352 -13.3045 -13.3045 1.2231 1.2231 4.7198 4.7198 6.8976 6.8976 7.0090 7.0090 8.3251 8.3251 9.0762 9.0762 9.2464 9.2464 10.1683 10.1683 10.6322 10.6322 11.3015 11.3015 k = 0.0000 0.0000 0.1352 ( 2747 PWs) bands (ev): -33.8603 -33.8603 -33.8319 -33.8319 -14.8819 -14.8819 -14.7710 -14.7710 -13.4998 -13.4998 -13.4047 -13.4047 -13.3338 -13.3338 -13.3039 -13.3039 1.1982 1.1982 4.7126 4.7126 6.8844 6.8844 7.1053 7.1053 8.2750 8.2750 9.1099 9.1099 9.2602 9.2602 10.1718 10.1718 10.7025 10.7025 11.2760 11.2760 k = 0.0000 0.0000 0.1159 ( 2743 PWs) bands (ev): -33.8605 -33.8605 -33.8318 -33.8318 -14.8823 -14.8823 -14.7700 -14.7700 -13.5003 -13.5003 -13.4047 -13.4047 -13.3326 -13.3326 -13.3034 -13.3034 1.1766 1.1766 4.7054 4.7054 6.8719 6.8719 7.2032 7.2032 8.2194 8.2194 9.1393 9.1393 9.2727 9.2727 10.1765 10.1765 10.7698 10.7698 11.2535 11.2535 k = 0.0000 0.0000 0.0966 ( 2735 PWs) bands (ev): -33.8606 -33.8606 -33.8316 -33.8316 -14.8826 -14.8826 -14.7691 -14.7691 -13.5007 -13.5007 -13.4047 -13.4047 -13.3316 -13.3316 -13.3030 -13.3030 1.1582 1.1582 4.6987 4.6987 6.8609 6.8609 7.3007 7.3007 8.1587 8.1587 9.1643 9.1643 9.2837 9.2837 10.1819 10.1819 10.8328 10.8328 11.2340 11.2340 k = 0.0000 0.0000 0.0773 ( 2735 PWs) bands (ev): -33.8608 -33.8608 -33.8316 -33.8316 -14.8829 -14.8829 -14.7684 -14.7684 -13.5010 -13.5010 -13.4046 -13.4046 -13.3307 -13.3307 -13.3026 -13.3026 1.1432 1.1432 4.6928 4.6928 6.8518 6.8518 7.3970 7.3970 8.0933 8.0933 9.1847 9.1847 9.2930 9.2930 10.1871 10.1871 10.8897 10.8897 11.2180 11.2180 k = 0.0000 0.0000 0.0579 ( 2731 PWs) bands (ev): -33.8609 -33.8609 -33.8315 -33.8315 -14.8831 -14.8831 -14.7679 -14.7679 -13.5013 -13.5013 -13.4046 -13.4046 -13.3300 -13.3300 -13.3023 -13.3023 1.1315 1.1315 4.6879 4.6879 6.8447 6.8447 7.4909 7.4909 8.0239 8.0239 9.2007 9.2007 9.3004 9.3004 10.1918 10.1918 10.9383 10.9383 11.2054 11.2054 k = 0.0000 0.0000 0.0386 ( 2743 PWs) bands (ev): -33.8610 -33.8610 -33.8315 -33.8315 -14.8833 -14.8833 -14.7675 -14.7675 -13.5015 -13.5015 -13.4046 -13.4046 -13.3295 -13.3295 -13.3021 -13.3021 1.1231 1.1231 4.6844 4.6844 6.8396 6.8396 7.5805 7.5805 7.9520 7.9520 9.2121 9.2121 9.3058 9.3058 10.1955 10.1955 10.9760 10.9760 11.1965 11.1965 k = 0.0000 0.0000 0.0193 ( 2739 PWs) bands (ev): -33.8611 -33.8611 -33.8314 -33.8314 -14.8834 -14.8834 -14.7672 -14.7672 -13.5016 -13.5016 -13.4046 -13.4046 -13.3293 -13.3293 -13.3020 -13.3020 1.1181 1.1181 4.6822 4.6822 6.8365 6.8365 7.6607 7.6607 7.8825 7.8825 9.2189 9.2189 9.3091 9.3091 10.1979 10.1979 11.0001 11.0001 11.1912 11.1912 k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8834 -14.8834 -14.7671 -14.7671 -13.5016 -13.5016 -13.4046 -13.4046 -13.3292 -13.3292 -13.3020 -13.3020 1.1165 1.1165 4.6814 4.6814 6.8355 6.8355 7.7037 7.7037 7.8430 7.8430 9.2212 9.2212 9.3102 9.3102 10.1987 10.1987 11.0084 11.0084 11.1894 11.1894 k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8834 -14.8834 -14.7671 -14.7671 -13.5016 -13.5016 -13.4046 -13.4046 -13.3292 -13.3292 -13.3020 -13.3020 1.1165 1.1165 4.6814 4.6814 6.8355 6.8355 7.7037 7.7037 7.8430 7.8430 9.2212 9.2212 9.3102 9.3102 10.1987 10.1987 11.0084 11.0084 11.1894 11.1894 k =-0.0179 0.0060-0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8834 -14.8834 -14.7672 -14.7672 -13.5015 -13.5015 -13.4046 -13.4046 -13.3293 -13.3293 -13.3020 -13.3020 1.1178 1.1178 4.6783 4.6783 6.8357 6.8357 7.7066 7.7066 7.8424 7.8424 9.2191 9.2191 9.3107 9.3107 10.1990 10.1990 11.0097 11.0097 11.1872 11.1872 k =-0.0357 0.0119-0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8314 -33.8314 -14.8832 -14.8832 -14.7674 -14.7674 -13.5012 -13.5012 -13.4046 -13.4046 -13.3295 -13.3295 -13.3021 -13.3021 1.1217 1.1217 4.6688 4.6688 6.8363 6.8363 7.7150 7.7150 7.8406 7.8406 9.2130 9.2130 9.3121 9.3121 10.1999 10.1999 11.0135 11.0135 11.1809 11.1809 k =-0.0536 0.0179-0.0000 ( 2735 PWs) bands (ev): -33.8610 -33.8610 -33.8315 -33.8315 -14.8829 -14.8829 -14.7677 -14.7677 -13.5007 -13.5007 -13.4045 -13.4045 -13.3300 -13.3300 -13.3022 -13.3022 1.1282 1.1282 4.6531 4.6531 6.8377 6.8377 7.7287 7.7287 7.8377 7.8377 9.2029 9.2029 9.3143 9.3143 10.2014 10.2014 11.0199 11.0199 11.1708 11.1708 k =-0.0714 0.0238-0.0000 ( 2735 PWs) bands (ev): -33.8609 -33.8609 -33.8315 -33.8315 -14.8826 -14.8826 -14.7681 -14.7681 -13.5000 -13.5000 -13.4044 -13.4044 -13.3307 -13.3307 -13.3025 -13.3025 1.1373 1.1373 4.6315 4.6315 6.8401 6.8401 7.7468 7.7468 7.8337 7.8337 9.1894 9.1894 9.3174 9.3174 10.2035 10.2035 11.0287 11.0287 11.1576 11.1576 k =-0.0893 0.0298-0.0000 ( 2739 PWs) bands (ev): -33.8608 -33.8608 -33.8316 -33.8316 -14.8821 -14.8821 -14.7686 -14.7686 -13.4991 -13.4991 -13.4044 -13.4044 -13.3316 -13.3316 -13.3027 -13.3027 1.1488 1.1488 4.6041 4.6041 6.8440 6.8440 7.7685 7.7685 7.8287 7.8287 9.1726 9.1726 9.3214 9.3214 10.2063 10.2063 11.0398 11.0398 11.1421 11.1421 k =-0.1071 0.0358-0.0000 ( 2742 PWs) bands (ev): -33.8607 -33.8607 -33.8317 -33.8317 -14.8815 -14.8815 -14.7692 -14.7692 -13.4980 -13.4980 -13.4042 -13.4042 -13.3327 -13.3327 -13.3030 -13.3030 1.1629 1.1629 4.5713 4.5713 6.8498 6.8498 7.7925 7.7925 7.8232 7.8232 9.1532 9.1532 9.3262 9.3262 10.2096 10.2096 11.0528 11.0528 11.1253 11.1253 k =-0.1250 0.0417-0.0000 ( 2742 PWs) bands (ev): -33.8606 -33.8606 -33.8319 -33.8319 -14.8808 -14.8808 -14.7699 -14.7699 -13.4967 -13.4967 -13.4041 -13.4041 -13.3339 -13.3339 -13.3034 -13.3034 1.1793 1.1793 4.5336 4.5336 6.8578 6.8578 7.8110 7.8110 7.8242 7.8242 9.1315 9.1315 9.3317 9.3317 10.2136 10.2136 11.0663 11.0663 11.1092 11.1092 k =-0.1429 0.0477-0.0000 ( 2730 PWs) bands (ev): -33.8604 -33.8604 -33.8320 -33.8320 -14.8800 -14.8800 -14.7707 -14.7707 -13.4953 -13.4953 -13.4040 -13.4040 -13.3354 -13.3354 -13.3037 -13.3037 1.1979 1.1979 4.4914 4.4914 6.8685 6.8685 7.8064 7.8064 7.8482 7.8482 9.1079 9.1079 9.3379 9.3379 10.2181 10.2181 11.0708 11.0708 11.1035 11.1035 k =-0.1607 0.0536-0.0000 ( 2726 PWs) bands (ev): -33.8602 -33.8602 -33.8321 -33.8321 -14.8792 -14.8792 -14.7716 -14.7716 -13.4937 -13.4937 -13.4038 -13.4038 -13.3371 -13.3371 -13.3041 -13.3041 1.2188 1.2188 4.4451 4.4451 6.8821 6.8821 7.7984 7.7984 7.8748 7.8748 9.0826 9.0826 9.3448 9.3448 10.2231 10.2231 11.0573 11.0573 11.1174 11.1174 k =-0.1786 0.0596-0.0000 ( 2730 PWs) bands (ev): -33.8601 -33.8601 -33.8323 -33.8323 -14.8782 -14.8782 -14.7726 -14.7726 -13.4919 -13.4919 -13.4037 -13.4037 -13.3389 -13.3389 -13.3045 -13.3045 1.2416 1.2416 4.3953 4.3953 6.8986 6.8986 7.7896 7.7896 7.9007 7.9007 9.0559 9.0559 9.3522 9.3522 10.2287 10.2287 11.0385 11.0385 11.1369 11.1369 k =-0.1964 0.0656-0.0000 ( 2728 PWs) bands (ev): -33.8599 -33.8599 -33.8325 -33.8325 -14.8772 -14.8772 -14.7737 -14.7737 -13.4900 -13.4900 -13.4035 -13.4035 -13.3409 -13.3409 -13.3049 -13.3049 1.2664 1.2664 4.3426 4.3426 6.9183 6.9183 7.7803 7.7803 7.9249 7.9249 9.0277 9.0277 9.3601 9.3601 10.2347 10.2347 11.0187 11.0187 11.1373 11.1373 k =-0.2143 0.0715-0.0000 ( 2728 PWs) bands (ev): -33.8597 -33.8597 -33.8327 -33.8327 -14.8761 -14.8761 -14.7748 -14.7748 -13.4879 -13.4879 -13.4033 -13.4033 -13.3431 -13.3431 -13.3053 -13.3053 1.2928 1.2928 4.2876 4.2876 6.9410 6.9410 7.7708 7.7708 7.9470 7.9470 8.9979 8.9979 9.3684 9.3684 10.2411 10.2411 10.9989 10.9989 11.0804 11.0804 k =-0.2321 0.0775-0.0000 ( 2730 PWs) bands (ev): -33.8595 -33.8595 -33.8329 -33.8329 -14.8750 -14.8750 -14.7760 -14.7760 -13.4857 -13.4857 -13.4031 -13.4031 -13.3454 -13.3454 -13.3057 -13.3057 1.3207 1.3207 4.2309 4.2309 6.9668 6.9668 7.7611 7.7611 7.9665 7.9665 8.9662 8.9662 9.3770 9.3770 10.2478 10.2478 10.9792 10.9792 11.0201 11.0201 k =-0.2500 0.0834-0.0000 ( 2730 PWs) bands (ev): -33.8593 -33.8593 -33.8331 -33.8331 -14.8738 -14.8738 -14.7773 -14.7773 -13.4834 -13.4834 -13.4029 -13.4029 -13.3479 -13.3479 -13.3060 -13.3060 1.3499 1.3499 4.1730 4.1730 6.9954 6.9954 7.7513 7.7513 7.9832 7.9832 8.9323 8.9323 9.3858 9.3858 10.2548 10.2548 10.9564 10.9564 10.9702 10.9702 k =-0.2679 0.0894-0.0000 ( 2730 PWs) bands (ev): -33.8590 -33.8590 -33.8334 -33.8334 -14.8726 -14.8726 -14.7785 -14.7785 -13.4810 -13.4810 -13.4026 -13.4026 -13.3504 -13.3504 -13.3064 -13.3064 1.3800 1.3800 4.1146 4.1146 7.0267 7.0267 7.7417 7.7417 7.9972 7.9972 8.8958 8.8958 9.3947 9.3947 10.2619 10.2619 10.9169 10.9169 10.9459 10.9459 k =-0.2857 0.0953-0.0000 ( 2730 PWs) bands (ev): -33.8588 -33.8588 -33.8336 -33.8336 -14.8714 -14.8714 -14.7798 -14.7798 -13.4786 -13.4786 -13.4024 -13.4024 -13.3531 -13.3531 -13.3067 -13.3067 1.4108 1.4108 4.0563 4.0563 7.0605 7.0605 7.7323 7.7323 8.0086 8.0086 8.8565 8.8565 9.4036 9.4036 10.2691 10.2691 10.8800 10.8800 10.9285 10.9285 k =-0.3036 0.1013-0.0000 ( 2732 PWs) bands (ev): -33.8586 -33.8586 -33.8338 -33.8338 -14.8702 -14.8702 -14.7811 -14.7811 -13.4761 -13.4761 -13.4022 -13.4022 -13.3558 -13.3558 -13.3071 -13.3071 1.4419 1.4419 3.9989 3.9989 7.0963 7.0963 7.7232 7.7232 8.0177 8.0177 8.8141 8.8141 9.4124 9.4124 10.2762 10.2762 10.8512 10.8512 10.9128 10.9128 k =-0.3214 0.1073-0.0000 ( 2738 PWs) bands (ev): -33.8584 -33.8584 -33.8341 -33.8341 -14.8690 -14.8690 -14.7823 -14.7823 -13.4736 -13.4736 -13.4019 -13.4019 -13.3585 -13.3585 -13.3074 -13.3074 1.4729 1.4729 3.9429 3.9429 7.1337 7.1337 7.7146 7.7146 8.0251 8.0251 8.7689 8.7689 9.4208 9.4208 10.2832 10.2832 10.8305 10.8305 10.8984 10.8984 k =-0.3393 0.1132-0.0000 ( 2736 PWs) bands (ev): -33.8582 -33.8582 -33.8343 -33.8343 -14.8678 -14.8678 -14.7836 -14.7836 -13.4711 -13.4711 -13.4017 -13.4017 -13.3612 -13.3612 -13.3077 -13.3077 1.5034 1.5034 3.8891 3.8891 7.1722 7.1722 7.7065 7.7065 8.0311 8.0311 8.7211 8.7211 9.4290 9.4290 10.2899 10.2899 10.8172 10.8172 10.8854 10.8854 k =-0.3571 0.1192-0.0000 ( 2732 PWs) bands (ev): -33.8580 -33.8580 -33.8344 -33.8344 -14.8667 -14.8667 -14.7847 -14.7847 -13.4687 -13.4687 -13.4014 -13.4014 -13.3639 -13.3639 -13.3079 -13.3079 1.5329 1.5329 3.8382 3.8382 7.2112 7.2112 7.6990 7.6990 8.0364 8.0364 8.6713 8.6713 9.4366 9.4366 10.2963 10.2963 10.8102 10.8102 10.8738 10.8738 k =-0.3750 0.1251-0.0000 ( 2732 PWs) bands (ev): -33.8578 -33.8578 -33.8346 -33.8346 -14.8656 -14.8656 -14.7859 -14.7859 -13.4664 -13.4664 -13.4011 -13.4011 -13.3665 -13.3665 -13.3082 -13.3082 1.5609 1.5609 3.7909 3.7909 7.2500 7.2500 7.6922 7.6922 8.0416 8.0416 8.6203 8.6203 9.4437 9.4437 10.3023 10.3023 10.8082 10.8082 10.8639 10.8639 k =-0.3929 0.1311-0.0000 ( 2724 PWs) bands (ev): -33.8576 -33.8576 -33.8347 -33.8347 -14.8646 -14.8646 -14.7869 -14.7869 -13.4642 -13.4642 -13.4009 -13.4009 -13.3689 -13.3689 -13.3084 -13.3084 1.5868 1.5868 3.7479 3.7479 7.2874 7.2874 7.6861 7.6861 8.0471 8.0471 8.5694 8.5694 9.4500 9.4500 10.3077 10.3077 10.8096 10.8096 10.8559 10.8559 k =-0.4107 0.1371-0.0000 ( 2722 PWs) bands (ev): -33.8575 -33.8575 -33.8349 -33.8349 -14.8638 -14.8638 -14.7878 -14.7878 -13.4623 -13.4623 -13.4006 -13.4006 -13.3712 -13.3712 -13.3086 -13.3086 1.6100 1.6100 3.7100 3.7100 7.3225 7.3225 7.6809 7.6809 8.0534 8.0534 8.5198 8.5198 9.4556 9.4556 10.3124 10.3124 10.8126 10.8126 10.8502 10.8502 k =-0.4286 0.1430-0.0000 ( 2720 PWs) bands (ev): -33.8573 -33.8573 -33.8350 -33.8350 -14.8630 -14.8630 -14.7885 -14.7885 -13.4605 -13.4605 -13.4003 -13.4003 -13.3731 -13.3731 -13.3087 -13.3087 1.6300 1.6300 3.6778 3.6778 7.3540 7.3540 7.6766 7.6766 8.0607 8.0607 8.4733 8.4733 9.4602 9.4602 10.3164 10.3164 10.8153 10.8153 10.8474 10.8474 k =-0.4464 0.1490-0.0000 ( 2724 PWs) bands (ev): -33.8573 -33.8573 -33.8351 -33.8351 -14.8624 -14.8624 -14.7892 -14.7892 -13.4591 -13.4591 -13.4001 -13.4001 -13.3748 -13.3748 -13.3088 -13.3088 1.6463 1.6463 3.6519 3.6519 7.3805 7.3805 7.6732 7.6732 8.0688 8.0688 8.4320 8.4320 9.4640 9.4640 10.3196 10.3196 10.8164 10.8164 10.8477 10.8477 k =-0.4643 0.1549-0.0000 ( 2728 PWs) bands (ev): -33.8572 -33.8572 -33.8352 -33.8352 -14.8620 -14.8620 -14.7896 -14.7896 -13.4581 -13.4581 -13.3999 -13.3999 -13.3760 -13.3760 -13.3089 -13.3089 1.6582 1.6582 3.6331 3.6331 7.4007 7.4007 7.6707 7.6707 8.0768 8.0768 8.3988 8.3988 9.4667 9.4667 10.3220 10.3220 10.8162 10.8162 10.8496 10.8496 k =-0.4821 0.1609-0.0000 ( 2724 PWs) bands (ev): -33.8572 -33.8572 -33.8352 -33.8352 -14.8617 -14.8617 -14.7899 -14.7899 -13.4574 -13.4574 -13.3998 -13.3998 -13.3768 -13.3768 -13.3089 -13.3089 1.6656 1.6656 3.6216 3.6216 7.4134 7.4134 7.6692 7.6692 8.0830 8.0830 8.3768 8.3768 9.4683 9.4683 10.3234 10.3234 10.8156 10.8156 10.8516 10.8516 k =-0.5000 0.1669-0.0000 ( 2718 PWs) bands (ev): -33.8571 -33.8571 -33.8352 -33.8352 -14.8616 -14.8616 -14.7900 -14.7900 -13.4572 -13.4572 -13.3998 -13.3998 -13.3771 -13.3771 -13.3090 -13.3090 1.6681 1.6681 3.6177 3.6177 7.4177 7.4177 7.6687 7.6687 8.0853 8.0853 8.3690 8.3690 9.4688 9.4688 10.3239 10.3239 10.8153 10.8153 10.8523 10.8523 k =-0.5000 0.1669-0.0000 ( 2718 PWs) bands (ev): -33.8571 -33.8571 -33.8352 -33.8352 -14.8616 -14.8616 -14.7900 -14.7900 -13.4572 -13.4572 -13.3998 -13.3998 -13.3771 -13.3771 -13.3090 -13.3090 1.6681 1.6681 3.6177 3.6177 7.4177 7.4177 7.6687 7.6687 8.0853 8.0853 8.3690 8.3690 9.4688 9.4688 10.3239 10.3239 10.8153 10.8153 10.8523 10.8523 k =-0.4940 0.1848-0.0000 ( 2726 PWs) bands (ev): -33.8571 -33.8571 -33.8352 -33.8352 -14.8616 -14.8616 -14.7901 -14.7901 -13.4572 -13.4572 -13.4001 -13.4001 -13.3769 -13.3769 -13.3091 -13.3091 1.6692 1.6692 3.6195 3.6195 7.4188 7.4188 7.6682 7.6682 8.0835 8.0835 8.3703 8.3703 9.4657 9.4657 10.3215 10.3215 10.8149 10.8149 10.8513 10.8513 k =-0.4880 0.2028-0.0000 ( 2722 PWs) bands (ev): -33.8570 -33.8570 -33.8352 -33.8352 -14.8617 -14.8617 -14.7903 -14.7903 -13.4570 -13.4570 -13.4009 -13.4009 -13.3765 -13.3765 -13.3096 -13.3096 1.6725 1.6725 3.6247 3.6247 7.4220 7.4220 7.6667 7.6667 8.0781 8.0781 8.3742 8.3742 9.4564 9.4564 10.3143 10.3143 10.8135 10.8135 10.8484 10.8484 k =-0.4820 0.2208-0.0000 ( 2722 PWs) bands (ev): -33.8569 -33.8569 -33.8352 -33.8352 -14.8618 -14.8618 -14.7907 -14.7907 -13.4568 -13.4568 -13.4023 -13.4023 -13.3758 -13.3758 -13.3104 -13.3104 1.6781 1.6781 3.6335 3.6335 7.4275 7.4275 7.6641 7.6641 8.0687 8.0687 8.3807 8.3807 9.4414 9.4414 10.3022 10.3022 10.8108 10.8108 10.8437 10.8437 k =-0.4760 0.2388-0.0000 ( 2722 PWs) bands (ev): -33.8568 -33.8568 -33.8352 -33.8352 -14.8619 -14.8619 -14.7913 -14.7913 -13.4564 -13.4564 -13.4042 -13.4042 -13.3749 -13.3749 -13.3116 -13.3116 1.6859 1.6859 3.6458 3.6458 7.4351 7.4351 7.6605 7.6605 8.0550 8.0550 8.3897 8.3897 9.4215 9.4215 10.2853 10.2853 10.8060 10.8060 10.8380 10.8380 k =-0.4700 0.2568-0.0000 ( 2728 PWs) bands (ev): -33.8566 -33.8566 -33.8352 -33.8352 -14.8621 -14.8621 -14.7920 -14.7920 -13.4560 -13.4560 -13.4063 -13.4063 -13.3740 -13.3740 -13.3130 -13.3130 1.6958 1.6958 3.6616 3.6616 7.4449 7.4449 7.6560 7.6560 8.0365 8.0365 8.4010 8.4010 9.3977 9.3977 10.2633 10.2633 10.7980 10.7980 10.8322 10.8322 k =-0.4640 0.2748-0.0000 ( 2732 PWs) bands (ev): -33.8564 -33.8564 -33.8351 -33.8351 -14.8623 -14.8623 -14.7928 -14.7928 -13.4554 -13.4554 -13.4088 -13.4088 -13.3731 -13.3731 -13.3148 -13.3148 1.7080 1.7080 3.6808 3.6808 7.4568 7.4568 7.6504 7.6504 8.0126 8.0126 8.4147 8.4147 9.3712 9.3712 10.2363 10.2363 10.7854 10.7854 10.8275 10.8275 k =-0.4580 0.2928-0.0000 ( 2740 PWs) bands (ev): -33.8562 -33.8562 -33.8351 -33.8351 -14.8625 -14.8625 -14.7939 -14.7939 -13.4548 -13.4548 -13.4115 -13.4115 -13.3722 -13.3722 -13.3168 -13.3168 1.7222 1.7222 3.7034 3.7034 7.4708 7.4708 7.6439 7.6439 7.9827 7.9827 8.4304 8.4304 9.3433 9.3433 10.2044 10.2044 10.7678 10.7678 10.8243 10.8243 k =-0.4520 0.3108-0.0000 ( 2744 PWs) bands (ev): -33.8559 -33.8559 -33.8351 -33.8351 -14.8627 -14.8627 -14.7950 -14.7950 -13.4541 -13.4541 -13.4144 -13.4144 -13.3713 -13.3713 -13.3190 -13.3190 1.7386 1.7386 3.7295 3.7295 7.4869 7.4869 7.6365 7.6365 7.9463 7.9463 8.4480 8.4480 9.3150 9.3150 10.1677 10.1677 10.7454 10.7454 10.8221 10.8221 k =-0.4460 0.3288-0.0000 ( 2744 PWs) bands (ev): -33.8556 -33.8556 -33.8351 -33.8351 -14.8630 -14.8630 -14.7963 -14.7963 -13.4534 -13.4534 -13.4174 -13.4174 -13.3705 -13.3705 -13.3215 -13.3215 1.7571 1.7571 3.7588 3.7588 7.5051 7.5051 7.6282 7.6282 7.9028 7.9028 8.4672 8.4672 9.2877 9.2877 10.1265 10.1265 10.7184 10.7184 10.8208 10.8208 k =-0.4400 0.3468-0.0000 ( 2746 PWs) bands (ev): -33.8552 -33.8552 -33.8350 -33.8350 -14.8633 -14.8633 -14.7978 -14.7978 -13.4526 -13.4526 -13.4206 -13.4206 -13.3699 -13.3699 -13.3243 -13.3243 1.7775 1.7775 3.7915 3.7915 7.5253 7.5253 7.6191 7.6191 7.8519 7.8519 8.4877 8.4877 9.2620 9.2620 10.0811 10.0811 10.6871 10.6871 10.8203 10.8203 k =-0.4340 0.3648-0.0000 ( 2742 PWs) bands (ev): -33.8548 -33.8548 -33.8350 -33.8350 -14.8636 -14.8636 -14.7993 -14.7993 -13.4517 -13.4517 -13.4239 -13.4239 -13.3693 -13.3693 -13.3272 -13.3272 1.8000 1.8000 3.8275 3.8275 7.5474 7.5474 7.6093 7.6093 7.7936 7.7936 8.5091 8.5091 9.2387 9.2387 10.0321 10.0321 10.6519 10.6519 10.8206 10.8206 k =-0.4279 0.3828-0.0000 ( 2734 PWs) bands (ev): -33.8543 -33.8543 -33.8349 -33.8349 -14.8640 -14.8640 -14.8010 -14.8010 -13.4508 -13.4508 -13.4272 -13.4272 -13.3688 -13.3688 -13.3302 -13.3302 1.8243 1.8243 3.8667 3.8667 7.5710 7.5710 7.5989 7.5989 7.7282 7.7282 8.5310 8.5310 9.2180 9.2180 9.9799 9.9799 10.6133 10.6133 10.8216 10.8216 k =-0.4219 0.4008-0.0000 ( 2732 PWs) bands (ev): -33.8538 -33.8538 -33.8349 -33.8349 -14.8643 -14.8643 -14.8029 -14.8029 -13.4499 -13.4499 -13.4307 -13.4307 -13.3685 -13.3685 -13.3333 -13.3333 1.8506 1.8506 3.9090 3.9090 7.5855 7.5855 7.5969 7.5969 7.6575 7.6575 8.5527 8.5527 9.2001 9.2001 9.9252 9.9252 10.5721 10.5721 10.8234 10.8234 k =-0.4159 0.4188-0.0000 ( 2738 PWs) bands (ev): -33.8533 -33.8533 -33.8348 -33.8348 -14.8647 -14.8647 -14.8048 -14.8048 -13.4490 -13.4490 -13.4341 -13.4341 -13.3683 -13.3683 -13.3366 -13.3366 1.8786 1.8786 3.9545 3.9545 7.5668 7.5668 7.5786 7.5786 7.6311 7.6311 8.5736 8.5736 9.1847 9.1847 9.8685 9.8685 10.5291 10.5291 10.8260 10.8260 k =-0.4099 0.4367-0.0000 ( 2742 PWs) bands (ev): -33.8528 -33.8528 -33.8348 -33.8348 -14.8651 -14.8651 -14.8069 -14.8069 -13.4482 -13.4482 -13.4376 -13.4376 -13.3682 -13.3682 -13.3398 -13.3398 1.9083 1.9083 4.0030 4.0030 7.4866 7.4866 7.5635 7.5635 7.6585 7.6585 8.5929 8.5929 9.1714 9.1714 9.8105 9.8105 10.4854 10.4854 10.8294 10.8294 k =-0.4039 0.4547-0.0000 ( 2738 PWs) bands (ev): -33.8522 -33.8522 -33.8348 -33.8348 -14.8655 -14.8655 -14.8091 -14.8091 -13.4475 -13.4475 -13.4409 -13.4409 -13.3684 -13.3684 -13.3430 -13.3430 1.9396 1.9396 4.0544 4.0544 7.3965 7.3965 7.5506 7.5506 7.6897 7.6897 8.6097 8.6097 9.1598 9.1598 9.7516 9.7516 10.4421 10.4421 10.8335 10.8335 k =-0.3979 0.4727-0.0000 ( 2738 PWs) bands (ev): -33.8516 -33.8516 -33.8347 -33.8347 -14.8658 -14.8658 -14.8113 -14.8113 -13.4473 -13.4473 -13.4438 -13.4438 -13.3687 -13.3687 -13.3461 -13.3461 1.9725 1.9725 4.1088 4.1088 7.3015 7.3015 7.5375 7.5375 7.7227 7.7227 8.6230 8.6230 9.1494 9.1494 9.6924 9.6924 10.4003 10.4003 10.8383 10.8383 k =-0.3919 0.4907-0.0000 ( 2730 PWs) bands (ev): -33.8510 -33.8510 -33.8347 -33.8347 -14.8662 -14.8662 -14.8137 -14.8137 -13.4491 -13.4491 -13.4449 -13.4449 -13.3691 -13.3691 -13.3490 -13.3490 2.0069 2.0069 4.1660 4.1660 7.2026 7.2026 7.5243 7.5243 7.7574 7.7574 8.6317 8.6317 9.1398 9.1398 9.6333 9.6333 10.3610 10.3610 10.8436 10.8436 k =-0.3859 0.5087-0.0000 ( 2738 PWs) bands (ev): -33.8504 -33.8504 -33.8347 -33.8347 -14.8665 -14.8665 -14.8161 -14.8161 -13.4522 -13.4522 -13.4447 -13.4447 -13.3699 -13.3699 -13.3517 -13.3517 2.0425 2.0425 4.2260 4.2260 7.1008 7.1008 7.5109 7.5109 7.7936 7.7936 8.6347 8.6347 9.1307 9.1307 9.5747 9.5747 10.3253 10.3253 10.8491 10.8491 k =-0.3799 0.5267-0.0000 ( 2750 PWs) bands (ev): -33.8498 -33.8498 -33.8348 -33.8348 -14.8668 -14.8668 -14.8186 -14.8186 -13.4555 -13.4555 -13.4444 -13.4444 -13.3708 -13.3708 -13.3541 -13.3541 2.0794 2.0794 4.2886 4.2886 6.9966 6.9966 7.4975 7.4975 7.8310 7.8310 8.6307 8.6307 9.1217 9.1217 9.5170 9.5170 10.2939 10.2939 10.8546 10.8546 k =-0.3739 0.5447-0.0000 ( 2750 PWs) bands (ev): -33.8492 -33.8492 -33.8348 -33.8348 -14.8671 -14.8671 -14.8211 -14.8211 -13.4587 -13.4587 -13.4443 -13.4443 -13.3718 -13.3718 -13.3562 -13.3562 2.1174 2.1174 4.3539 4.3539 6.8907 6.8907 7.4843 7.4843 7.8694 7.8694 8.6189 8.6189 9.1127 9.1127 9.4604 9.4604 10.2669 10.2669 10.8596 10.8596 k =-0.3679 0.5627-0.0000 ( 2758 PWs) bands (ev): -33.8485 -33.8485 -33.8348 -33.8348 -14.8674 -14.8674 -14.8238 -14.8238 -13.4619 -13.4619 -13.4444 -13.4444 -13.3730 -13.3730 -13.3580 -13.3580 2.1563 2.1563 4.4217 4.4217 6.7838 6.7838 7.4713 7.4713 7.9087 7.9087 8.5985 8.5985 9.1038 9.1038 9.4053 9.4053 10.2439 10.2439 10.8570 10.8570 k =-0.3619 0.5807-0.0000 ( 2759 PWs) bands (ev): -33.8479 -33.8479 -33.8349 -33.8349 -14.8676 -14.8676 -14.8264 -14.8264 -13.4649 -13.4649 -13.4448 -13.4448 -13.3742 -13.3742 -13.3595 -13.3595 2.1961 2.1961 4.4919 4.4919 6.6763 6.6763 7.4587 7.4587 7.9484 7.9484 8.5691 8.5691 9.0951 9.0951 9.3518 9.3518 10.2237 10.2237 10.8084 10.8084 k =-0.3559 0.5987-0.0000 ( 2759 PWs) bands (ev): -33.8472 -33.8472 -33.8349 -33.8349 -14.8678 -14.8678 -14.8291 -14.8291 -13.4679 -13.4679 -13.4455 -13.4455 -13.3753 -13.3753 -13.3608 -13.3608 2.2364 2.2364 4.5644 4.5644 6.5689 6.5689 7.4465 7.4465 7.9884 7.9884 8.5306 8.5306 9.0869 9.0869 9.3002 9.3002 10.2043 10.2043 10.7661 10.7661 k =-0.3499 0.6167-0.0000 ( 2763 PWs) bands (ev): -33.8465 -33.8465 -33.8350 -33.8350 -14.8679 -14.8679 -14.8318 -14.8318 -13.4707 -13.4707 -13.4465 -13.4465 -13.3763 -13.3763 -13.3620 -13.3620 2.2771 2.2771 4.6392 4.6392 6.4621 6.4621 7.4349 7.4349 8.0281 8.0281 8.4832 8.4832 9.0797 9.0797 9.2507 9.2507 10.1833 10.1833 10.7379 10.7379 k =-0.3439 0.6347-0.0000 ( 2771 PWs) bands (ev): -33.8458 -33.8458 -33.8351 -33.8351 -14.8679 -14.8679 -14.8345 -14.8345 -13.4733 -13.4733 -13.4478 -13.4478 -13.3770 -13.3770 -13.3631 -13.3631 2.3181 2.3181 4.7162 4.7162 6.3562 6.3562 7.4239 7.4239 8.0670 8.0670 8.4277 8.4277 9.0739 9.0739 9.2034 9.2034 10.1583 10.1583 10.7259 10.7259 k =-0.3379 0.6527-0.0000 ( 2771 PWs) bands (ev): -33.8451 -33.8451 -33.8352 -33.8352 -14.8679 -14.8679 -14.8372 -14.8372 -13.4758 -13.4758 -13.4494 -13.4494 -13.3775 -13.3775 -13.3641 -13.3641 2.3590 2.3590 4.7953 4.7953 6.2518 6.2518 7.4138 7.4138 8.1047 8.1047 8.3648 8.3648 9.0704 9.0704 9.1584 9.1584 10.1285 10.1285 10.7307 10.7307 k =-0.3319 0.6706-0.0000 ( 2771 PWs) bands (ev): -33.8444 -33.8444 -33.8354 -33.8354 -14.8678 -14.8678 -14.8399 -14.8399 -13.4780 -13.4780 -13.4512 -13.4512 -13.3777 -13.3777 -13.3650 -13.3650 2.3996 2.3996 4.8762 4.8762 6.1495 6.1495 7.4046 7.4046 8.1403 8.1403 8.2953 8.2953 9.0699 9.0699 9.1159 9.1159 10.0941 10.0941 10.7512 10.7512 k =-0.3259 0.6886-0.0000 ( 2771 PWs) bands (ev): -33.8438 -33.8438 -33.8355 -33.8355 -14.8677 -14.8677 -14.8426 -14.8426 -13.4801 -13.4801 -13.4533 -13.4533 -13.3778 -13.3778 -13.3658 -13.3658 2.4396 2.4396 4.9590 4.9590 6.0495 6.0495 7.3963 7.3963 8.1730 8.1730 8.2205 8.2205 9.0731 9.0731 9.0760 9.0760 10.0562 10.0562 10.7847 10.7847 k =-0.3199 0.7066-0.0000 ( 2767 PWs) bands (ev): -33.8430 -33.8430 -33.8357 -33.8357 -14.8674 -14.8674 -14.8453 -14.8453 -13.4820 -13.4820 -13.4556 -13.4556 -13.3777 -13.3777 -13.3664 -13.3664 2.4787 2.4787 5.0436 5.0436 5.9525 5.9525 7.3892 7.3892 8.1398 8.1398 8.2035 8.2035 9.0386 9.0386 9.0813 9.0813 10.0165 10.0165 10.8062 10.8062 k =-0.3139 0.7246-0.0000 ( 2767 PWs) bands (ev): -33.8424 -33.8424 -33.8359 -33.8359 -14.8670 -14.8670 -14.8479 -14.8479 -13.4837 -13.4837 -13.4579 -13.4579 -13.3777 -13.3777 -13.3668 -13.3668 2.5164 2.5164 5.1296 5.1296 5.8590 5.8590 7.3832 7.3832 8.0565 8.0565 8.2288 8.2288 9.0041 9.0041 9.0949 9.0949 9.9761 9.9761 10.7827 10.7827 k =-0.3079 0.7426-0.0000 ( 2759 PWs) bands (ev): -33.8417 -33.8417 -33.8361 -33.8361 -14.8666 -14.8666 -14.8504 -14.8504 -13.4851 -13.4851 -13.4604 -13.4604 -13.3778 -13.3778 -13.3669 -13.3669 2.5524 2.5524 5.2171 5.2171 5.7696 5.7696 7.3786 7.3786 7.9700 7.9700 8.2497 8.2497 8.9724 8.9724 9.1148 9.1148 9.9360 9.9360 10.7510 10.7510 k =-0.3019 0.7606-0.0000 ( 2767 PWs) bands (ev): -33.8410 -33.8410 -33.8364 -33.8364 -14.8660 -14.8660 -14.8529 -14.8529 -13.4863 -13.4863 -13.4628 -13.4628 -13.3781 -13.3781 -13.3667 -13.3667 2.5862 2.5862 5.3057 5.3057 5.6848 5.6848 7.3752 7.3752 7.8812 7.8812 8.2658 8.2658 8.9435 8.9435 9.1413 9.1413 9.8971 9.8971 10.7136 10.7136 k =-0.2959 0.7786-0.0000 ( 2767 PWs) bands (ev): -33.8404 -33.8404 -33.8367 -33.8367 -14.8654 -14.8654 -14.8553 -14.8553 -13.4873 -13.4873 -13.4652 -13.4652 -13.3786 -13.3786 -13.3661 -13.3661 2.6173 2.6173 5.3949 5.3949 5.6055 5.6055 7.3733 7.3733 7.7910 7.7910 8.2769 8.2769 8.9176 8.9176 9.1745 9.1745 9.8598 9.8598 10.6710 10.6710 k =-0.2898 0.7966-0.0000 ( 2751 PWs) bands (ev): -33.8397 -33.8397 -33.8369 -33.8369 -14.8647 -14.8647 -14.8576 -14.8576 -13.4881 -13.4881 -13.4675 -13.4675 -13.3794 -13.3794 -13.3652 -13.3652 2.6451 2.6451 5.4808 5.4808 5.5361 5.5361 7.3729 7.3729 7.6999 7.6999 8.2833 8.2833 8.8947 8.8947 9.2144 9.2144 9.8243 9.8243 10.6238 10.6238 k =-0.2838 0.8146-0.0000 ( 2751 PWs) bands (ev): -33.8391 -33.8391 -33.8372 -33.8372 -14.8641 -14.8641 -14.8596 -14.8596 -13.4887 -13.4887 -13.4697 -13.4697 -13.3804 -13.3804 -13.3639 -13.3639 2.6692 2.6692 5.4594 5.4594 5.5810 5.5810 7.3740 7.3740 7.6087 7.6087 8.2854 8.2854 8.8748 8.8748 9.2606 9.2606 9.7909 9.7909 10.5727 10.5727 k =-0.2778 0.8326-0.0000 ( 2757 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8640 -14.8640 -14.8608 -14.8608 -13.4891 -13.4891 -13.4717 -13.4717 -13.3816 -13.3816 -13.3625 -13.3625 2.6889 2.6889 5.4000 5.4000 5.6709 5.6709 7.3767 7.3767 7.5180 7.5180 8.2837 8.2837 8.8580 8.8580 9.3125 9.3125 9.7596 9.7596 10.5181 10.5181 k =-0.2778 0.8326-0.0000 ( 2757 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8640 -14.8640 -14.8608 -14.8608 -13.4891 -13.4891 -13.4717 -13.4717 -13.3816 -13.3816 -13.3625 -13.3625 2.6889 2.6889 5.4000 5.4000 5.6709 5.6709 7.3767 7.3767 7.5180 7.5180 8.2837 8.2837 8.8580 8.8580 9.3125 9.3125 9.7596 9.7596 10.5181 10.5181 k =-0.2778 0.8326 0.0193 ( 2755 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8640 -14.8640 -14.8608 -14.8608 -13.4892 -13.4892 -13.4716 -13.4716 -13.3817 -13.3817 -13.3625 -13.3625 2.6899 2.6899 5.4015 5.4015 5.6699 5.6699 7.3692 7.3692 7.5236 7.5236 8.2795 8.2795 8.8566 8.8566 9.3186 9.3186 9.7525 9.7525 10.5249 10.5249 k =-0.2778 0.8326 0.0386 ( 2753 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8641 -14.8641 -14.8609 -14.8609 -13.4896 -13.4896 -13.4712 -13.4712 -13.3822 -13.3822 -13.3623 -13.3623 2.6930 2.6930 5.4060 5.4060 5.6669 5.6669 7.3498 7.3498 7.5375 7.5375 8.2673 8.2673 8.8527 8.8527 9.3362 9.3362 9.7322 9.7322 10.5447 10.5447 k =-0.2778 0.8326 0.0579 ( 2757 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8641 -14.8641 -14.8610 -14.8610 -13.4902 -13.4902 -13.4705 -13.4705 -13.3829 -13.3829 -13.3621 -13.3621 2.6982 2.6982 5.4134 5.4134 5.6616 5.6616 7.3236 7.3236 7.5548 7.5548 8.2478 8.2478 8.8468 8.8468 9.3643 9.3643 9.7004 9.7004 10.5758 10.5758 k =-0.2778 0.8326 0.0773 ( 2761 PWs) bands (ev): -33.8385 -33.8385 -33.8376 -33.8376 -14.8642 -14.8642 -14.8611 -14.8611 -13.4910 -13.4910 -13.4697 -13.4697 -13.3839 -13.3839 -13.3618 -13.3618 2.7055 2.7055 5.4237 5.4237 5.6541 5.6541 7.2940 7.2940 7.5723 7.5723 8.2219 8.2219 8.8395 8.8395 9.4012 9.4012 9.6596 9.6596 10.6159 10.6159 k =-0.2778 0.8326 0.0966 ( 2759 PWs) bands (ev): -33.8384 -33.8384 -33.8376 -33.8376 -14.8643 -14.8643 -14.8612 -14.8612 -13.4918 -13.4918 -13.4687 -13.4687 -13.3851 -13.3851 -13.3615 -13.3615 2.7148 2.7148 5.4369 5.4369 5.6439 5.6439 7.2633 7.2633 7.5886 7.5886 8.1907 8.1907 8.8313 8.8313 9.4450 9.4450 9.6123 9.6123 10.6630 10.6630 k =-0.2778 0.8326 0.1159 ( 2759 PWs) bands (ev): -33.8384 -33.8384 -33.8376 -33.8376 -14.8645 -14.8645 -14.8614 -14.8614 -13.4928 -13.4928 -13.4676 -13.4676 -13.3865 -13.3865 -13.3612 -13.3612 2.7262 2.7262 5.4529 5.4529 5.6308 5.6308 7.2327 7.2327 7.6027 7.6027 8.1554 8.1554 8.8224 8.8224 9.4913 9.4913 9.5635 9.5635 10.7153 10.7153 k =-0.2778 0.8326 0.1352 ( 2758 PWs) bands (ev): -33.8383 -33.8383 -33.8376 -33.8376 -14.8646 -14.8646 -14.8617 -14.8617 -13.4938 -13.4938 -13.4665 -13.4665 -13.3880 -13.3880 -13.3609 -13.3609 2.7397 2.7397 5.4715 5.4715 5.6144 5.6144 7.2033 7.2033 7.6144 7.6144 8.1170 8.1170 8.8132 8.8132 9.4907 9.4907 9.5626 9.5626 10.7716 10.7716 k =-0.2778 0.8326 0.1545 ( 2752 PWs) bands (ev): -33.8383 -33.8383 -33.8375 -33.8375 -14.8648 -14.8648 -14.8619 -14.8619 -13.4948 -13.4948 -13.4653 -13.4653 -13.3897 -13.3897 -13.3606 -13.3606 2.7552 2.7552 5.4927 5.4927 5.5948 5.5948 7.1759 7.1759 7.6237 7.6237 8.0765 8.0765 8.8038 8.8038 9.4358 9.4358 9.6177 9.6177 10.8307 10.8307 k =-0.2778 0.8326 0.1738 ( 2748 PWs) bands (ev): -33.8382 -33.8382 -33.8375 -33.8375 -14.8650 -14.8650 -14.8622 -14.8622 -13.4959 -13.4959 -13.4642 -13.4642 -13.3914 -13.3914 -13.3604 -13.3604 2.7727 2.7727 5.5154 5.5154 5.5722 5.5722 7.1510 7.1510 7.6306 7.6306 8.0347 8.0347 8.7942 8.7942 9.3753 9.3753 9.6799 9.6799 10.8917 10.8917 k =-0.2778 0.8326 0.1932 ( 2748 PWs) bands (ev): -33.8382 -33.8382 -33.8374 -33.8374 -14.8652 -14.8652 -14.8625 -14.8625 -13.4969 -13.4969 -13.4630 -13.4630 -13.3932 -13.3932 -13.3603 -13.3603 2.7923 2.7923 5.5290 5.5290 5.5570 5.5570 7.1291 7.1291 7.6353 7.6353 7.9921 7.9921 8.7845 8.7845 9.3133 9.3133 9.7455 9.7455 10.9537 10.9537 k =-0.2778 0.8326 0.2125 ( 2746 PWs) bands (ev): -33.8381 -33.8381 -33.8374 -33.8374 -14.8654 -14.8654 -14.8629 -14.8629 -13.4979 -13.4979 -13.4619 -13.4619 -13.3950 -13.3950 -13.3602 -13.3602 2.8139 2.8139 5.5048 5.5048 5.5779 5.5779 7.1103 7.1103 7.6382 7.6382 7.9495 7.9495 8.7749 8.7749 9.2506 9.2506 9.8136 9.8136 11.0160 11.0160 k =-0.2778 0.8326 0.2318 ( 2746 PWs) bands (ev): -33.8380 -33.8380 -33.8373 -33.8373 -14.8657 -14.8657 -14.8632 -14.8632 -13.4988 -13.4988 -13.4608 -13.4608 -13.3968 -13.3968 -13.3603 -13.3603 2.8374 2.8374 5.4689 5.4689 5.6084 5.6084 7.0947 7.0947 7.6397 7.6397 7.9072 7.9072 8.7653 8.7653 9.1879 9.1879 9.8837 9.8837 11.0777 11.0777 k =-0.2778 0.8326 0.2511 ( 2748 PWs) bands (ev): -33.8380 -33.8380 -33.8373 -33.8373 -14.8659 -14.8659 -14.8636 -14.8636 -13.4997 -13.4997 -13.4598 -13.4598 -13.3986 -13.3986 -13.3603 -13.3603 2.8630 2.8630 5.4278 5.4278 5.6419 5.6419 7.0820 7.0820 7.6402 7.6402 7.8656 7.8656 8.7558 8.7558 9.1258 9.1258 9.9555 9.9555 11.1379 11.1379 k =-0.2778 0.8326 0.2704 ( 2746 PWs) bands (ev): -33.8379 -33.8379 -33.8372 -33.8372 -14.8662 -14.8662 -14.8640 -14.8640 -13.5006 -13.5006 -13.4589 -13.4589 -13.4004 -13.4004 -13.3605 -13.3605 2.8904 2.8904 5.3822 5.3822 5.6779 5.6779 7.0720 7.0720 7.6401 7.6401 7.8251 7.8251 8.7466 8.7466 9.0647 9.0647 10.0288 10.0288 11.1959 11.1959 k =-0.2778 0.8326 0.2897 ( 2744 PWs) bands (ev): -33.8378 -33.8378 -33.8372 -33.8372 -14.8665 -14.8665 -14.8644 -14.8644 -13.5014 -13.5014 -13.4581 -13.4581 -13.4021 -13.4021 -13.3607 -13.3607 2.9199 2.9199 5.3325 5.3325 5.7159 5.7159 7.0639 7.0639 7.6399 7.6399 7.7860 7.7860 8.7377 8.7377 9.0050 9.0050 10.1033 10.1033 11.2506 11.2506 k =-0.2778 0.8326 0.3091 ( 2738 PWs) bands (ev): -33.8377 -33.8377 -33.8371 -33.8371 -14.8668 -14.8668 -14.8648 -14.8648 -13.5021 -13.5021 -13.4575 -13.4575 -13.4037 -13.4037 -13.3610 -13.3610 2.9512 2.9512 5.2791 5.2791 5.7558 5.7558 7.0572 7.0572 7.6401 7.6401 7.7485 7.7485 8.7291 8.7291 8.9471 8.9471 10.1788 10.1788 11.3015 11.3015 k =-0.2778 0.8326 0.3284 ( 2735 PWs) bands (ev): -33.8377 -33.8377 -33.8371 -33.8371 -14.8671 -14.8671 -14.8652 -14.8652 -13.5028 -13.5028 -13.4570 -13.4570 -13.4052 -13.4052 -13.3614 -13.3614 2.9845 2.9845 5.2224 5.2224 5.7975 5.7975 7.0511 7.0511 7.6409 7.6409 7.7130 7.7130 8.7210 8.7210 8.8914 8.8914 10.2552 10.2552 11.3478 11.3478 k =-0.2778 0.8326 0.3477 ( 2739 PWs) bands (ev): -33.8376 -33.8376 -33.8370 -33.8370 -14.8674 -14.8674 -14.8657 -14.8657 -13.5034 -13.5034 -13.4566 -13.4566 -13.4065 -13.4065 -13.3618 -13.3618 3.0197 3.0197 5.1627 5.1627 5.8406 5.8406 7.0448 7.0448 7.6419 7.6419 7.6803 7.6803 8.7133 8.7133 8.8384 8.8384 10.3325 10.3325 11.3893 11.3893 k =-0.2778 0.8326 0.3670 ( 2731 PWs) bands (ev): -33.8375 -33.8375 -33.8370 -33.8370 -14.8677 -14.8677 -14.8661 -14.8661 -13.5039 -13.5039 -13.4565 -13.4565 -13.4077 -13.4077 -13.3623 -13.3623 3.0567 3.0567 5.1005 5.1005 5.8851 5.8851 7.0378 7.0378 7.6372 7.6372 7.6566 7.6566 8.7062 8.7062 8.7884 8.7884 10.4104 10.4104 11.4262 11.4262 k =-0.2778 0.8326 0.3863 ( 2733 PWs) bands (ev): -33.8374 -33.8374 -33.8369 -33.8369 -14.8680 -14.8680 -14.8665 -14.8665 -13.5044 -13.5044 -13.4565 -13.4565 -13.4087 -13.4087 -13.3628 -13.3628 3.0955 3.0955 5.0362 5.0362 5.9308 5.9308 7.0295 7.0295 7.6139 7.6139 7.6548 7.6548 8.6996 8.6996 8.7421 8.7421 10.4889 10.4889 11.4587 11.4587 k =-0.2778 0.8326 0.4056 ( 2735 PWs) bands (ev): -33.8374 -33.8374 -33.8369 -33.8369 -14.8683 -14.8683 -14.8669 -14.8669 -13.5047 -13.5047 -13.4567 -13.4567 -13.4095 -13.4095 -13.3634 -13.3634 3.1361 3.1361 4.9701 4.9701 5.9775 5.9775 7.0194 7.0194 7.5878 7.5878 7.6588 7.6588 8.6928 8.6928 8.7007 8.7007 10.5679 10.5679 11.4875 11.4875 k =-0.2778 0.8326 0.4250 ( 2731 PWs) bands (ev): -33.8373 -33.8373 -33.8368 -33.8368 -14.8686 -14.8686 -14.8673 -14.8673 -13.5050 -13.5050 -13.4571 -13.4571 -13.4101 -13.4101 -13.3640 -13.3640 3.1786 3.1786 4.9025 4.9025 6.0248 6.0248 7.0074 7.0074 7.5636 7.5636 7.6635 7.6635 8.6618 8.6618 8.6886 8.6886 10.6472 10.6472 11.5134 11.5134 k =-0.2778 0.8326 0.4443 ( 2723 PWs) bands (ev): -33.8372 -33.8372 -33.8367 -33.8367 -14.8689 -14.8689 -14.8677 -14.8677 -13.5053 -13.5053 -13.4576 -13.4576 -13.4105 -13.4105 -13.3647 -13.3647 3.2227 3.2227 4.8339 4.8339 6.0728 6.0728 6.9932 6.9932 7.5417 7.5417 7.6677 7.6677 8.6294 8.6294 8.6836 8.6836 10.7267 10.7267 11.5372 11.5372 k =-0.2778 0.8326 0.4636 ( 2727 PWs) bands (ev): -33.8372 -33.8372 -33.8367 -33.8367 -14.8692 -14.8692 -14.8681 -14.8681 -13.5054 -13.5054 -13.4583 -13.4583 -13.4108 -13.4108 -13.3653 -13.3653 3.2686 3.2686 4.7644 4.7644 6.1210 6.1210 6.9770 6.9770 7.5226 7.5226 7.6706 7.6706 8.6024 8.6024 8.6791 8.6791 10.8064 10.8064 11.5599 11.5599 k =-0.2778 0.8326 0.4829 ( 2725 PWs) bands (ev): -33.8371 -33.8371 -33.8367 -33.8367 -14.8694 -14.8694 -14.8685 -14.8685 -13.5055 -13.5055 -13.4592 -13.4592 -13.4109 -13.4109 -13.3660 -13.3660 3.3162 3.3162 4.6944 4.6944 6.1694 6.1694 6.9587 6.9587 7.5062 7.5062 7.6712 7.6712 8.5813 8.5813 8.6750 8.6750 10.8860 10.8860 11.5823 11.5823 k =-0.2778 0.8326 0.5022 ( 2723 PWs) bands (ev): -33.8370 -33.8370 -33.8366 -33.8366 -14.8697 -14.8697 -14.8688 -14.8688 -13.5056 -13.5056 -13.4601 -13.4601 -13.4108 -13.4108 -13.3667 -13.3667 3.3655 3.3655 4.6241 4.6241 6.2176 6.2176 6.9386 6.9386 7.4927 7.4927 7.6691 7.6691 8.5662 8.5662 8.6712 8.6712 10.9654 10.9654 11.6053 11.6053 k =-0.2778 0.8326 0.5215 ( 2727 PWs) bands (ev): -33.8370 -33.8370 -33.8366 -33.8366 -14.8699 -14.8699 -14.8691 -14.8691 -13.5055 -13.5055 -13.4610 -13.4610 -13.4107 -13.4107 -13.3673 -13.3673 3.4164 3.4164 4.5536 4.5536 6.2655 6.2655 6.9166 6.9166 7.4821 7.4821 7.6637 7.6637 8.5568 8.5568 8.6676 8.6676 11.0445 11.0445 11.6295 11.6295 k =-0.2778 0.8326 0.5409 ( 2729 PWs) bands (ev): -33.8369 -33.8369 -33.8366 -33.8366 -14.8702 -14.8702 -14.8694 -14.8694 -13.5055 -13.5055 -13.4620 -13.4620 -13.4105 -13.4105 -13.3680 -13.3680 3.4689 3.4689 4.4833 4.4833 6.3128 6.3128 6.8931 6.8931 7.4745 7.4745 7.6552 7.6552 8.5527 8.5527 8.6640 8.6640 11.1230 11.1230 11.6556 11.6556 k =-0.2778 0.8326 0.5602 ( 2733 PWs) bands (ev): -33.8369 -33.8369 -33.8366 -33.8366 -14.8704 -14.8704 -14.8697 -14.8697 -13.5054 -13.5054 -13.4630 -13.4630 -13.4102 -13.4102 -13.3686 -13.3686 3.5229 3.5229 4.4132 4.4132 6.3593 6.3593 6.8680 6.8680 7.4699 7.4699 7.6436 7.6436 8.5532 8.5532 8.6602 8.6602 11.2006 11.2006 11.6840 11.6840 k =-0.2778 0.8326 0.5795 ( 2733 PWs) bands (ev): -33.8368 -33.8368 -33.8366 -33.8366 -14.8705 -14.8705 -14.8699 -14.8699 -13.5053 -13.5053 -13.4639 -13.4639 -13.4099 -13.4099 -13.3691 -13.3691 3.5784 3.5784 4.3435 4.3435 6.4049 6.4049 6.8413 6.8413 7.4682 7.4682 7.6296 7.6296 8.5576 8.5576 8.6561 8.6561 11.2771 11.2771 11.7145 11.7145 k =-0.2778 0.8326 0.5988 ( 2733 PWs) bands (ev): -33.8368 -33.8368 -33.8366 -33.8366 -14.8707 -14.8707 -14.8701 -14.8701 -13.5051 -13.5051 -13.4647 -13.4647 -13.4096 -13.4096 -13.3696 -13.3696 3.6354 3.6354 4.2744 4.2744 6.4494 6.4494 6.8133 6.8133 7.4694 7.4694 7.6137 7.6137 8.5647 8.5647 8.6514 8.6514 11.3522 11.3522 11.7460 11.7460 k =-0.2778 0.8326 0.6181 ( 2735 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -14.8708 -14.8708 -14.8702 -14.8702 -13.5050 -13.5050 -13.4654 -13.4654 -13.4093 -13.4093 -13.3700 -13.3700 3.6938 3.6938 4.2060 4.2060 6.4926 6.4926 6.7838 6.7838 7.4734 7.4734 7.5967 7.5967 8.5738 8.5738 8.6462 8.6462 11.4253 11.4253 11.7739 11.7739 k =-0.2778 0.8326 0.6374 ( 2739 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -14.8709 -14.8709 -14.8703 -14.8703 -13.5049 -13.5049 -13.4660 -13.4660 -13.4091 -13.4091 -13.3704 -13.3704 3.7536 3.7536 4.1384 4.1384 6.5344 6.5344 6.7528 6.7528 7.4797 7.4797 7.5795 7.5795 8.5840 8.5840 8.6401 8.6401 11.4960 11.4960 11.7871 11.7871 k =-0.2778 0.8326 0.6568 ( 2740 PWs) bands (ev): -33.8367 -33.8367 -33.8366 -33.8366 -14.8710 -14.8710 -14.8704 -14.8704 -13.5048 -13.5048 -13.4665 -13.4665 -13.4089 -13.4089 -13.3706 -13.3706 3.8147 3.8147 4.0717 4.0717 6.5747 6.5747 6.7203 6.7203 7.4877 7.4877 7.5634 7.5634 8.5944 8.5944 8.6331 8.6331 11.5636 11.5636 11.7730 11.7730 k =-0.2778 0.8326 0.6761 ( 2746 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8711 -14.8711 -14.8705 -14.8705 -13.5048 -13.5048 -13.4667 -13.4667 -13.4088 -13.4088 -13.3708 -13.3708 3.8768 3.8768 4.0062 4.0062 6.6134 6.6134 6.6863 6.6863 7.4957 7.4957 7.5503 7.5503 8.6044 8.6044 8.6255 8.6255 11.6272 11.6272 11.7359 11.7359 k =-0.2778 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8711 -14.8711 -14.8705 -14.8705 -13.5048 -13.5048 -13.4668 -13.4668 -13.4088 -13.4088 -13.3708 -13.3708 3.9329 3.9329 3.9490 3.9490 6.6482 6.6482 6.6531 6.6531 7.4997 7.4997 7.5447 7.5447 8.6108 8.6108 8.6199 8.6199 11.6838 11.6838 11.6871 11.6871 k =-0.2778 0.8326 0.6954 ( 2748 PWs) bands (ev): -33.8366 -33.8366 -33.8366 -33.8366 -14.8711 -14.8711 -14.8705 -14.8705 -13.5048 -13.5048 -13.4668 -13.4668 -13.4088 -13.4088 -13.3708 -13.3708 3.9329 3.9329 3.9490 3.9490 6.6482 6.6482 6.6531 6.6531 7.4997 7.4997 7.5447 7.5447 8.6108 8.6108 8.6199 8.6199 11.6838 11.6838 11.6871 11.6871 k =-0.2838 0.8146 0.6954 ( 2744 PWs) bands (ev): -33.8368 -33.8368 -33.8368 -33.8368 -14.8706 -14.8706 -14.8701 -14.8701 -13.5055 -13.5055 -13.4644 -13.4644 -13.4101 -13.4101 -13.3689 -13.3689 3.9316 3.9316 3.9486 3.9486 6.6236 6.6236 6.6277 6.6277 7.5148 7.5148 7.5592 7.5592 8.6147 8.6147 8.6230 8.6230 11.6327 11.6327 11.6352 11.6352 k =-0.2898 0.7966 0.6954 ( 2746 PWs) bands (ev): -33.8369 -33.8369 -33.8369 -33.8369 -14.8701 -14.8701 -14.8696 -14.8696 -13.5060 -13.5060 -13.4618 -13.4618 -13.4115 -13.4115 -13.3669 -13.3669 3.9281 3.9281 3.9459 3.9459 6.5995 6.5995 6.6027 6.6027 7.5319 7.5319 7.5754 7.5754 8.6216 8.6216 8.6291 8.6291 11.5773 11.5773 11.5790 11.5790 k =-0.2959 0.7786 0.6954 ( 2748 PWs) bands (ev): -33.8371 -33.8371 -33.8371 -33.8371 -14.8694 -14.8694 -14.8690 -14.8690 -13.5064 -13.5064 -13.4590 -13.4590 -13.4127 -13.4127 -13.3650 -13.3650 3.9223 3.9223 3.9409 3.9409 6.5756 6.5756 6.5778 6.5778 7.5511 7.5511 7.5935 7.5935 8.6320 8.6320 8.6388 8.6388 11.5181 11.5181 11.5192 11.5192 k =-0.3019 0.7606 0.6954 ( 2744 PWs) bands (ev): -33.8372 -33.8372 -33.8372 -33.8372 -14.8687 -14.8687 -14.8683 -14.8683 -13.5066 -13.5066 -13.4562 -13.4562 -13.4139 -13.4139 -13.3629 -13.3629 3.9144 3.9144 3.9337 3.9337 6.5516 6.5516 6.5528 6.5528 7.5726 7.5726 7.6137 7.6137 8.6460 8.6460 8.6522 8.6522 11.4557 11.4557 11.4561 11.4561 k =-0.3079 0.7426 0.6954 ( 2744 PWs) bands (ev): -33.8374 -33.8374 -33.8374 -33.8374 -14.8679 -14.8679 -14.8675 -14.8675 -13.5066 -13.5066 -13.4533 -13.4533 -13.4149 -13.4149 -13.3609 -13.3609 3.9044 3.9044 3.9244 3.9244 6.5273 6.5273 6.5274 6.5274 7.5965 7.5965 7.6361 7.6361 8.6640 8.6640 8.6695 8.6695 11.3903 11.3903 11.3905 11.3905 k =-0.3139 0.7246 0.6954 ( 2748 PWs) bands (ev): -33.8377 -33.8377 -33.8377 -33.8377 -14.8671 -14.8671 -14.8667 -14.8667 -13.5065 -13.5065 -13.4503 -13.4503 -13.4158 -13.4158 -13.3589 -13.3589 3.8925 3.8925 3.9130 3.9130 6.5014 6.5014 6.5025 6.5025 7.6229 7.6229 7.6609 7.6609 8.6860 8.6860 8.6910 8.6910 11.3223 11.3223 11.3231 11.3231 k =-0.3199 0.7066 0.6954 ( 2744 PWs) bands (ev): -33.8379 -33.8379 -33.8379 -33.8379 -14.8661 -14.8661 -14.8659 -14.8659 -13.5062 -13.5062 -13.4474 -13.4474 -13.4164 -13.4164 -13.3568 -13.3568 3.8788 3.8788 3.8998 3.8998 6.4748 6.4748 6.4771 6.4771 7.6520 7.6520 7.6882 7.6882 8.7122 8.7122 8.7166 8.7166 11.2526 11.2526 11.2539 11.2539 k =-0.3259 0.6886 0.6954 ( 2744 PWs) bands (ev): -33.8381 -33.8381 -33.8381 -33.8381 -14.8652 -14.8652 -14.8649 -14.8649 -13.5058 -13.5058 -13.4447 -13.4447 -13.4167 -13.4167 -13.3547 -13.3547 3.8635 3.8635 3.8849 3.8849 6.4474 6.4474 6.4509 6.4509 7.6839 7.6839 7.7181 7.7181 8.7426 8.7426 8.7464 8.7464 11.1817 11.1817 11.1835 11.1835 k =-0.3319 0.6706 0.6954 ( 2744 PWs) bands (ev): -33.8384 -33.8384 -33.8384 -33.8384 -14.8641 -14.8641 -14.8639 -14.8639 -13.5053 -13.5053 -13.4424 -13.4424 -13.4165 -13.4165 -13.3526 -13.3526 3.8468 3.8468 3.8684 3.8684 6.4191 6.4191 6.4239 6.4239 7.7185 7.7185 7.7507 7.7507 8.7771 8.7771 8.7804 8.7804 11.1101 11.1101 11.1122 11.1122 k =-0.3379 0.6527 0.6954 ( 2744 PWs) bands (ev): -33.8387 -33.8387 -33.8387 -33.8387 -14.8631 -14.8631 -14.8629 -14.8629 -13.5047 -13.5047 -13.4405 -13.4405 -13.4157 -13.4157 -13.3505 -13.3505 3.8287 3.8287 3.8505 3.8505 6.3901 6.3901 6.3960 6.3960 7.7559 7.7559 7.7860 7.7860 8.8157 8.8157 8.8185 8.8185 11.0382 11.0382 11.0406 11.0406 k =-0.3439 0.6347 0.6954 ( 2740 PWs) bands (ev): -33.8390 -33.8390 -33.8390 -33.8390 -14.8620 -14.8620 -14.8619 -14.8619 -13.5039 -13.5039 -13.4393 -13.4393 -13.4141 -13.4141 -13.3484 -13.3484 3.8095 3.8095 3.8314 3.8314 6.3603 6.3603 6.3672 6.3672 7.7961 7.7961 7.8241 7.8241 8.8584 8.8584 8.8607 8.8607 10.9663 10.9663 10.9690 10.9690 k =-0.3499 0.6167 0.6954 ( 2736 PWs) bands (ev): -33.8392 -33.8392 -33.8392 -33.8392 -14.8609 -14.8609 -14.8608 -14.8608 -13.5031 -13.5031 -13.4388 -13.4388 -13.4117 -13.4117 -13.3462 -13.3462 3.7893 3.7893 3.8113 3.8113 6.3298 6.3298 6.3377 6.3377 7.8390 7.8390 7.8649 7.8649 8.9049 8.9049 8.9068 8.9068 10.8949 10.8949 10.8978 10.8978 k =-0.3559 0.5987 0.6954 ( 2736 PWs) bands (ev): -33.8395 -33.8395 -33.8395 -33.8395 -14.8598 -14.8598 -14.8597 -14.8597 -13.5022 -13.5022 -13.4388 -13.4388 -13.4087 -13.4087 -13.3441 -13.3441 3.7683 3.7683 3.7903 3.7903 6.2989 6.2989 6.3076 6.3076 7.8845 7.8845 7.9083 7.9083 8.9552 8.9552 8.9567 8.9567 10.8241 10.8241 10.8272 10.8272 k =-0.3619 0.5807 0.6954 ( 2740 PWs) bands (ev): -33.8399 -33.8399 -33.8399 -33.8399 -14.8586 -14.8586 -14.8586 -14.8586 -13.5011 -13.5011 -13.4392 -13.4392 -13.4052 -13.4052 -13.3420 -13.3420 3.7468 3.7468 3.7686 3.7686 6.2675 6.2675 6.2770 6.2770 7.9324 7.9324 7.9542 7.9542 9.0092 9.0092 9.0103 9.0103 10.7544 10.7544 10.7576 10.7576 k =-0.3679 0.5627 0.6954 ( 2736 PWs) bands (ev): -33.8402 -33.8402 -33.8402 -33.8402 -14.8575 -14.8575 -14.8574 -14.8574 -13.5001 -13.5001 -13.4399 -13.4399 -13.4013 -13.4013 -13.3398 -13.3398 3.7248 3.7248 3.7463 3.7463 6.2359 6.2359 6.2460 6.2460 7.9827 7.9827 8.0025 8.0025 9.0667 9.0667 9.0674 9.0674 10.6858 10.6858 10.6892 10.6892 k =-0.3739 0.5447 0.6954 ( 2746 PWs) bands (ev): -33.8405 -33.8405 -33.8405 -33.8405 -14.8563 -14.8563 -14.8563 -14.8563 -13.4989 -13.4989 -13.4409 -13.4409 -13.3971 -13.3971 -13.3378 -13.3378 3.7025 3.7025 3.7237 3.7237 6.2042 6.2042 6.2149 6.2149 8.0350 8.0350 8.0529 8.0529 9.1276 9.1276 9.1279 9.1279 10.6187 10.6187 10.6222 10.6222 k =-0.3799 0.5267 0.6954 ( 2738 PWs) bands (ev): -33.8408 -33.8408 -33.8408 -33.8408 -14.8552 -14.8552 -14.8552 -14.8552 -13.4977 -13.4977 -13.4420 -13.4420 -13.3928 -13.3928 -13.3357 -13.3357 3.6801 3.6801 3.7009 3.7009 6.1727 6.1727 6.1837 6.1837 8.0893 8.0893 8.1052 8.1052 9.1917 9.1917 9.1918 9.1918 10.5530 10.5530 10.5567 10.5567 k =-0.3859 0.5087 0.6954 ( 2742 PWs) bands (ev): -33.8411 -33.8411 -33.8411 -33.8411 -14.8541 -14.8541 -14.8541 -14.8541 -13.4965 -13.4965 -13.4432 -13.4432 -13.3884 -13.3884 -13.3337 -13.3337 3.6578 3.6578 3.6781 3.6781 6.1415 6.1415 6.1528 6.1528 8.1451 8.1451 8.1593 8.1593 9.2585 9.2585 9.2590 9.2590 10.4890 10.4890 10.4929 10.4929 k =-0.3919 0.4907 0.6954 ( 2746 PWs) bands (ev): -33.8415 -33.8415 -33.8414 -33.8414 -14.8530 -14.8530 -14.8530 -14.8530 -13.4952 -13.4952 -13.4444 -13.4444 -13.3839 -13.3839 -13.3317 -13.3317 3.6357 3.6357 3.6554 3.6554 6.1108 6.1108 6.1222 6.1222 8.2025 8.2025 8.2149 8.2149 9.3281 9.3281 9.3291 9.3291 10.4267 10.4267 10.4309 10.4309 k =-0.3979 0.4727 0.6954 ( 2746 PWs) bands (ev): -33.8418 -33.8418 -33.8418 -33.8418 -14.8520 -14.8520 -14.8519 -14.8519 -13.4939 -13.4939 -13.4458 -13.4458 -13.3793 -13.3793 -13.3299 -13.3299 3.6139 3.6139 3.6330 3.6330 6.0808 6.0808 6.0922 6.0922 8.2610 8.2610 8.2718 8.2718 9.4004 9.4004 9.4020 9.4020 10.3662 10.3662 10.3709 10.3709 k =-0.4039 0.4547 0.6954 ( 2742 PWs) bands (ev): -33.8420 -33.8420 -33.8420 -33.8420 -14.8509 -14.8509 -14.8509 -14.8509 -13.4926 -13.4926 -13.4472 -13.4472 -13.3748 -13.3748 -13.3280 -13.3280 3.5927 3.5927 3.6111 3.6111 6.0517 6.0517 6.0630 6.0630 8.3203 8.3203 8.3296 8.3296 9.4751 9.4751 9.4775 9.4775 10.3077 10.3077 10.3131 10.3131 k =-0.4099 0.4367 0.6954 ( 2738 PWs) bands (ev): -33.8423 -33.8423 -33.8423 -33.8423 -14.8500 -14.8500 -14.8499 -14.8499 -13.4913 -13.4913 -13.4486 -13.4486 -13.3703 -13.3703 -13.3263 -13.3263 3.5720 3.5720 3.5896 3.5896 6.0235 6.0235 6.0346 6.0346 8.3804 8.3804 8.3881 8.3881 9.5517 9.5517 9.5553 9.5553 10.2511 10.2511 10.2576 10.2576 k =-0.4159 0.4188 0.6954 ( 2734 PWs) bands (ev): -33.8426 -33.8426 -33.8426 -33.8426 -14.8490 -14.8490 -14.8490 -14.8490 -13.4899 -13.4899 -13.4500 -13.4500 -13.3659 -13.3659 -13.3248 -13.3248 3.5522 3.5522 3.5689 3.5689 5.9965 5.9965 6.0073 6.0073 8.4407 8.4407 8.4471 8.4471 9.6298 9.6298 9.6352 9.6352 10.1968 10.1968 10.2051 10.2051 k =-0.4219 0.4008 0.6954 ( 2742 PWs) bands (ev): -33.8429 -33.8429 -33.8429 -33.8429 -14.8481 -14.8481 -14.8481 -14.8481 -13.4885 -13.4885 -13.4514 -13.4514 -13.3616 -13.3616 -13.3233 -13.3233 3.5332 3.5332 3.5490 3.5490 5.9708 5.9708 5.9813 5.9813 8.5010 8.5010 8.5061 8.5061 9.7082 9.7082 9.7166 9.7166 10.1450 10.1450 10.1564 10.1564 k =-0.4279 0.3828 0.6954 ( 2740 PWs) bands (ev): -33.8431 -33.8431 -33.8431 -33.8431 -14.8473 -14.8473 -14.8472 -14.8472 -13.4871 -13.4871 -13.4529 -13.4529 -13.3573 -13.3573 -13.3220 -13.3220 3.5152 3.5152 3.5300 3.5300 5.9466 5.9466 5.9565 5.9565 8.5611 8.5611 8.5649 8.5649 9.7843 9.7843 9.7981 9.7981 10.0970 10.0970 10.1140 10.1140 k =-0.4340 0.3648 0.6954 ( 2736 PWs) bands (ev): -33.8434 -33.8434 -33.8434 -33.8434 -14.8465 -14.8465 -14.8464 -14.8464 -13.4857 -13.4857 -13.4543 -13.4543 -13.3533 -13.3533 -13.3208 -13.3208 3.4982 3.4982 3.5120 3.5120 5.9239 5.9239 5.9333 5.9333 8.6204 8.6204 8.6231 8.6231 9.8508 9.8508 9.8753 9.8753 10.0573 10.0573 10.0850 10.0850 k =-0.4400 0.3468 0.6954 ( 2732 PWs) bands (ev): -33.8436 -33.8436 -33.8436 -33.8436 -14.8458 -14.8458 -14.8457 -14.8457 -13.4843 -13.4843 -13.4558 -13.4558 -13.3493 -13.3493 -13.3198 -13.3198 3.4825 3.4825 3.4952 3.4952 5.9029 5.9029 5.9116 5.9116 8.6787 8.6787 8.6803 8.6803 9.8892 9.8892 9.9253 9.9253 10.0484 10.0484 10.0880 10.0880 k =-0.4460 0.3288 0.6954 ( 2736 PWs) bands (ev): -33.8438 -33.8438 -33.8438 -33.8438 -14.8451 -14.8451 -14.8450 -14.8450 -13.4829 -13.4829 -13.4572 -13.4572 -13.3456 -13.3456 -13.3190 -13.3190 3.4681 3.4681 3.4797 3.4797 5.8836 5.8836 5.8917 5.8917 8.7356 8.7356 8.7362 8.7362 9.8858 9.8858 9.9150 9.9150 10.1034 10.1034 10.1365 10.1365 k =-0.4520 0.3108 0.6954 ( 2736 PWs) bands (ev): -33.8440 -33.8440 -33.8440 -33.8440 -14.8445 -14.8445 -14.8444 -14.8444 -13.4815 -13.4815 -13.4587 -13.4587 -13.3420 -13.3420 -13.3184 -13.3184 3.4550 3.4550 3.4654 3.4654 5.8662 5.8662 5.8735 5.8735 8.7902 8.7902 8.7905 8.7905 9.8592 9.8592 9.8801 9.8801 10.1866 10.1866 10.2119 10.2119 k =-0.4580 0.2928 0.6954 ( 2740 PWs) bands (ev): -33.8442 -33.8442 -33.8442 -33.8442 -14.8439 -14.8439 -14.8439 -14.8439 -13.4801 -13.4801 -13.4601 -13.4601 -13.3387 -13.3387 -13.3180 -13.3180 3.4434 3.4434 3.4526 3.4526 5.8507 5.8507 5.8572 5.8572 8.8419 8.8419 8.8428 8.8428 9.8254 9.8254 9.8415 9.8415 10.2772 10.2772 10.2982 10.2982 k =-0.4640 0.2748 0.6954 ( 2740 PWs) bands (ev): -33.8443 -33.8443 -33.8443 -33.8443 -14.8435 -14.8435 -14.8434 -14.8434 -13.4787 -13.4787 -13.4616 -13.4616 -13.3355 -13.3355 -13.3178 -13.3178 3.4333 3.4333 3.4412 3.4412 5.8372 5.8372 5.8429 5.8429 8.8904 8.8904 8.8919 8.8919 9.7905 9.7905 9.8035 9.8035 10.3710 10.3710 10.3896 10.3896 k =-0.4700 0.2568 0.6954 ( 2738 PWs) bands (ev): -33.8444 -33.8444 -33.8444 -33.8444 -14.8430 -14.8430 -14.8430 -14.8430 -13.4773 -13.4773 -13.4630 -13.4630 -13.3326 -13.3326 -13.3179 -13.3179 3.4248 3.4248 3.4314 3.4314 5.8258 5.8258 5.8306 5.8306 8.9350 8.9350 8.9369 8.9369 9.7570 9.7570 9.7677 9.7677 10.4666 10.4666 10.4839 10.4839 k =-0.4760 0.2388 0.6954 ( 2726 PWs) bands (ev): -33.8445 -33.8445 -33.8445 -33.8445 -14.8427 -14.8427 -14.8427 -14.8427 -13.4759 -13.4759 -13.4645 -13.4645 -13.3300 -13.3300 -13.3182 -13.3182 3.4178 3.4178 3.4232 3.4232 5.8165 5.8165 5.8204 5.8204 8.9747 8.9747 8.9767 8.9767 9.7267 9.7267 9.7353 9.7353 10.5636 10.5636 10.5799 10.5799 k =-0.4820 0.2208 0.6954 ( 2736 PWs) bands (ev): -33.8446 -33.8446 -33.8446 -33.8446 -14.8425 -14.8425 -14.8424 -14.8424 -13.4745 -13.4745 -13.4659 -13.4659 -13.3276 -13.3276 -13.3187 -13.3187 3.4126 3.4126 3.4166 3.4166 5.8093 5.8093 5.8123 5.8123 9.0082 9.0082 9.0100 9.0100 9.7009 9.7009 9.7075 9.7075 10.6614 10.6614 10.6771 10.6771 k =-0.4880 0.2028 0.6954 ( 2728 PWs) bands (ev): -33.8446 -33.8446 -33.8446 -33.8446 -14.8423 -14.8423 -14.8422 -14.8422 -13.4730 -13.4730 -13.4673 -13.4673 -13.3255 -13.3255 -13.3195 -13.3195 3.4090 3.4090 3.4116 3.4116 5.8043 5.8043 5.8063 5.8063 9.0339 9.0339 9.0353 9.0353 9.6812 9.6812 9.6857 9.6857 10.7596 10.7596 10.7748 10.7748 k =-0.4940 0.1848 0.6954 ( 2732 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4716 -13.4716 -13.4688 -13.4688 -13.3236 -13.3236 -13.3206 -13.3206 3.4071 3.4071 3.4084 3.4084 5.8015 5.8015 5.8025 5.8025 9.0503 9.0503 9.0511 9.0511 9.6691 9.6691 9.6714 9.6714 10.8576 10.8576 10.8723 10.8723 k =-0.5000 0.1669 0.6954 ( 2724 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4702 -13.4702 -13.4702 -13.4702 -13.3220 -13.3220 -13.3220 -13.3220 3.4069 3.4069 3.4069 3.4069 5.8009 5.8009 5.8009 5.8009 9.0562 9.0562 9.0562 9.0562 9.6657 9.6657 9.6657 9.6657 10.9476 10.9476 10.9476 10.9476 k =-0.5000 0.1669 0.6954 ( 2724 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4702 -13.4702 -13.4702 -13.4702 -13.3220 -13.3220 -13.3220 -13.3220 3.4069 3.4069 3.4069 3.4069 5.8009 5.8009 5.8009 5.8009 9.0562 9.0562 9.0562 9.0562 9.6657 9.6657 9.6657 9.6657 10.9476 10.9476 10.9476 10.9476 k =-0.5000 0.1669 0.6761 ( 2732 PWs) bands (ev): -33.8452 -33.8452 -33.8442 -33.8442 -14.8436 -14.8436 -14.8405 -14.8405 -13.4711 -13.4711 -13.4692 -13.4692 -13.3230 -13.3230 -13.3210 -13.3210 3.3170 3.3170 3.4984 3.4984 5.7062 5.7062 5.8964 5.8964 8.9949 8.9949 9.1185 9.1185 9.6661 9.6661 9.6677 9.6677 10.8947 10.8947 10.9301 10.9301 k =-0.5000 0.1669 0.6568 ( 2732 PWs) bands (ev): -33.8457 -33.8457 -33.8438 -33.8438 -14.8451 -14.8451 -14.8389 -14.8389 -13.4718 -13.4718 -13.4681 -13.4681 -13.3241 -13.3241 -13.3201 -13.3201 3.2290 3.2290 3.5916 3.5916 5.6127 5.6127 5.9923 5.9923 8.9345 8.9345 9.1815 9.1815 9.6687 9.6687 9.6721 9.6721 10.8411 10.8411 10.8856 10.8856 k =-0.5000 0.1669 0.6374 ( 2728 PWs) bands (ev): -33.8461 -33.8461 -33.8433 -33.8433 -14.8465 -14.8465 -14.8372 -14.8372 -13.4725 -13.4725 -13.4668 -13.4668 -13.3252 -13.3252 -13.3192 -13.3192 3.1430 3.1430 3.6861 3.6861 5.5208 5.5208 6.0883 6.0883 8.8753 8.8753 9.2452 9.2452 9.6733 9.6733 9.6791 9.6791 10.7887 10.7887 10.8423 10.8423 k =-0.5000 0.1669 0.6181 ( 2732 PWs) bands (ev): -33.8466 -33.8466 -33.8429 -33.8429 -14.8478 -14.8478 -14.8354 -14.8354 -13.4730 -13.4730 -13.4655 -13.4655 -13.3263 -13.3263 -13.3183 -13.3183 3.0590 3.0590 3.7817 3.7817 5.4309 5.4309 6.1841 6.1841 8.8174 8.8174 9.3094 9.3094 9.6798 9.6798 9.6887 9.6887 10.7383 10.7383 10.8002 10.8002 k =-0.5000 0.1669 0.5988 ( 2732 PWs) bands (ev): -33.8471 -33.8471 -33.8424 -33.8424 -14.8490 -14.8490 -14.8336 -14.8336 -13.4734 -13.4734 -13.4640 -13.4640 -13.3275 -13.3275 -13.3176 -13.3176 2.9770 2.9770 3.8779 3.8779 5.3436 5.3436 6.2792 6.2792 8.7608 8.7608 9.3740 9.3740 9.6879 9.6879 9.7010 9.7010 10.6906 10.6906 10.7587 10.7587 k =-0.5000 0.1669 0.5795 ( 2732 PWs) bands (ev): -33.8476 -33.8476 -33.8420 -33.8420 -14.8502 -14.8502 -14.8318 -14.8318 -13.4736 -13.4736 -13.4624 -13.4624 -13.3288 -13.3288 -13.3168 -13.3168 2.8973 2.8973 3.9741 3.9741 5.2599 5.2599 6.3734 6.3734 8.7058 8.7058 9.4387 9.4387 9.6970 9.6970 9.7159 9.7159 10.6460 10.6460 10.7178 10.7178 k =-0.5000 0.1669 0.5602 ( 2728 PWs) bands (ev): -33.8481 -33.8481 -33.8416 -33.8416 -14.8513 -14.8513 -14.8299 -14.8299 -13.4737 -13.4737 -13.4607 -13.4607 -13.3301 -13.3301 -13.3162 -13.3162 2.8197 2.8197 4.0691 4.0691 5.1807 5.1807 6.4662 6.4662 8.6524 8.6524 9.5036 9.5036 9.7069 9.7069 9.7336 9.7336 10.6051 10.6051 10.6771 10.6771 k =-0.5000 0.1669 0.5409 ( 2728 PWs) bands (ev): -33.8486 -33.8486 -33.8411 -33.8411 -14.8524 -14.8524 -14.8280 -14.8280 -13.4738 -13.4738 -13.4590 -13.4590 -13.3314 -13.3314 -13.3155 -13.3155 2.7444 2.7444 4.1614 4.1614 5.1081 5.1081 6.5571 6.5571 8.6008 8.6008 9.5683 9.5683 9.7170 9.7170 9.7540 9.7540 10.5684 10.5684 10.6369 10.6369 k =-0.5000 0.1669 0.5215 ( 2728 PWs) bands (ev): -33.8491 -33.8491 -33.8407 -33.8407 -14.8533 -14.8533 -14.8260 -14.8260 -13.4736 -13.4736 -13.4571 -13.4571 -13.3328 -13.3328 -13.3149 -13.3149 2.6713 2.6713 4.2478 4.2478 5.0452 5.0452 6.6459 6.6459 8.5511 8.5511 9.6327 9.6327 9.7266 9.7266 9.7771 9.7771 10.5364 10.5364 10.5972 10.5972 k =-0.5000 0.1669 0.5022 ( 2722 PWs) bands (ev): -33.8496 -33.8496 -33.8403 -33.8403 -14.8542 -14.8542 -14.8241 -14.8241 -13.4734 -13.4734 -13.4552 -13.4552 -13.3342 -13.3342 -13.3144 -13.3144 2.6006 2.6006 4.3231 4.3231 4.9974 4.9974 6.7320 6.7320 8.5036 8.5036 9.6965 9.6965 9.7350 9.7350 9.8031 9.8031 10.5095 10.5095 10.5587 10.5587 k =-0.5000 0.1669 0.4829 ( 2714 PWs) bands (ev): -33.8500 -33.8500 -33.8399 -33.8399 -14.8551 -14.8551 -14.8221 -14.8221 -13.4731 -13.4731 -13.4532 -13.4532 -13.3356 -13.3356 -13.3139 -13.3139 2.5322 2.5322 4.3790 4.3790 4.9729 4.9729 6.8149 6.8149 8.4582 8.4582 9.7413 9.7413 9.7593 9.7593 9.8319 9.8319 10.4867 10.4867 10.5234 10.5234 k =-0.5000 0.1669 0.4636 ( 2718 PWs) bands (ev): -33.8505 -33.8505 -33.8396 -33.8396 -14.8558 -14.8558 -14.8201 -14.8201 -13.4727 -13.4727 -13.4511 -13.4511 -13.3371 -13.3371 -13.3134 -13.3134 2.4663 2.4663 4.4067 4.4067 4.9808 4.9808 6.8941 6.8941 8.4153 8.4153 9.7451 9.7451 9.8200 9.8200 9.8643 9.8643 10.4626 10.4626 10.4980 10.4980 k =-0.5000 0.1669 0.4443 ( 2722 PWs) bands (ev): -33.8510 -33.8510 -33.8392 -33.8392 -14.8565 -14.8565 -14.8182 -14.8182 -13.4722 -13.4722 -13.4489 -13.4489 -13.3386 -13.3386 -13.3130 -13.3130 2.4027 2.4027 4.4034 4.4034 5.0239 5.0239 6.9690 6.9690 8.3749 8.3749 9.7456 9.7456 9.8758 9.8758 9.9026 9.9026 10.4320 10.4320 10.4886 10.4886 k =-0.5000 0.1669 0.4250 ( 2722 PWs) bands (ev): -33.8514 -33.8514 -33.8389 -33.8389 -14.8572 -14.8572 -14.8162 -14.8162 -13.4716 -13.4716 -13.4467 -13.4467 -13.3401 -13.3401 -13.3126 -13.3126 2.3416 2.3416 4.3758 4.3758 5.0956 5.0956 7.0393 7.0393 8.3373 8.3373 9.7424 9.7424 9.9216 9.9216 9.9511 9.9511 10.3995 10.3995 10.4916 10.4916 k =-0.5000 0.1669 0.4056 ( 2722 PWs) bands (ev): -33.8519 -33.8519 -33.8386 -33.8386 -14.8577 -14.8577 -14.8143 -14.8143 -13.4709 -13.4709 -13.4445 -13.4445 -13.3417 -13.3417 -13.3122 -13.3122 2.2830 2.2830 4.3334 4.3334 5.1864 5.1864 7.1044 7.1044 8.3026 8.3026 9.7357 9.7357 9.9624 9.9624 10.0040 10.0040 10.3683 10.3683 10.5044 10.5044 k =-0.5000 0.1669 0.3863 ( 2718 PWs) bands (ev): -33.8523 -33.8523 -33.8383 -33.8383 -14.8583 -14.8583 -14.8123 -14.8123 -13.4701 -13.4701 -13.4421 -13.4421 -13.3434 -13.3434 -13.3119 -13.3119 2.2269 2.2269 4.2832 4.2832 5.2894 5.2894 7.1637 7.1637 8.2709 8.2709 9.7255 9.7255 10.0031 10.0031 10.0543 10.0543 10.3396 10.3396 10.5259 10.5259 k =-0.5000 0.1669 0.3670 ( 2718 PWs) bands (ev): -33.8527 -33.8527 -33.8380 -33.8380 -14.8587 -14.8587 -14.8105 -14.8105 -13.4693 -13.4693 -13.4398 -13.4398 -13.3450 -13.3450 -13.3116 -13.3116 2.1734 2.1734 4.2295 4.2295 5.4004 5.4004 7.2170 7.2170 8.2424 8.2424 9.7124 9.7124 10.0446 10.0446 10.0982 10.0982 10.3141 10.3141 10.5553 10.5553 k =-0.5000 0.1669 0.3477 ( 2722 PWs) bands (ev): -33.8532 -33.8532 -33.8377 -33.8377 -14.8591 -14.8591 -14.8086 -14.8086 -13.4685 -13.4685 -13.4374 -13.4374 -13.3467 -13.3467 -13.3113 -13.3113 2.1224 2.1224 4.1747 4.1747 5.5170 5.5170 7.2640 7.2640 8.2172 8.2172 9.6969 9.6969 10.0853 10.0853 10.1315 10.1315 10.2921 10.2921 10.5889 10.5889 k =-0.5000 0.1669 0.3284 ( 2724 PWs) bands (ev): -33.8536 -33.8536 -33.8374 -33.8374 -14.8595 -14.8595 -14.8068 -14.8068 -13.4676 -13.4676 -13.4350 -13.4350 -13.3485 -13.3485 -13.3111 -13.3111 2.0740 2.0740 4.1203 4.1203 5.6377 5.6377 7.3044 7.3044 8.1951 8.1951 9.6797 9.6797 10.1126 10.1126 10.1562 10.1562 10.2735 10.2735 10.5416 10.5416 k =-0.5000 0.1669 0.3091 ( 2734 PWs) bands (ev): -33.8540 -33.8540 -33.8372 -33.8372 -14.8598 -14.8598 -14.8051 -14.8051 -13.4667 -13.4667 -13.4325 -13.4325 -13.3503 -13.3503 -13.3109 -13.3109 2.0282 2.0282 4.0671 4.0671 5.7616 5.7616 7.3383 7.3383 8.1763 8.1763 9.6614 9.6614 10.0926 10.0926 10.1931 10.1931 10.2594 10.2594 10.5112 10.5112 k =-0.5000 0.1669 0.2897 ( 2730 PWs) bands (ev): -33.8543 -33.8543 -33.8370 -33.8370 -14.8601 -14.8601 -14.8034 -14.8034 -13.4658 -13.4658 -13.4301 -13.4301 -13.3521 -13.3521 -13.3106 -13.3106 1.9851 1.9851 4.0159 4.0159 5.8880 5.8880 7.3659 7.3659 8.1603 8.1603 9.6425 9.6425 10.0281 10.0281 10.2322 10.2322 10.2565 10.2565 10.5124 10.5124 k =-0.5000 0.1669 0.2704 ( 2720 PWs) bands (ev): -33.8546 -33.8546 -33.8367 -33.8367 -14.8604 -14.8604 -14.8018 -14.8018 -13.4649 -13.4649 -13.4276 -13.4276 -13.3539 -13.3539 -13.3104 -13.3104 1.9446 1.9446 3.9670 3.9670 6.0167 6.0167 7.3876 7.3876 8.1471 8.1471 9.6235 9.6235 9.9362 9.9362 10.2382 10.2382 10.2940 10.2940 10.5336 10.5336 k =-0.5000 0.1669 0.2511 ( 2718 PWs) bands (ev): -33.8550 -33.8550 -33.8365 -33.8365 -14.8606 -14.8606 -14.8003 -14.8003 -13.4640 -13.4640 -13.4251 -13.4251 -13.3558 -13.3558 -13.3103 -13.3103 1.9069 1.9069 3.9207 3.9207 6.1472 6.1472 7.4039 7.4039 8.1362 8.1362 9.6047 9.6047 9.8291 9.8291 10.2376 10.2376 10.3434 10.3434 10.5646 10.5646 k =-0.5000 0.1669 0.2318 ( 2734 PWs) bands (ev): -33.8553 -33.8553 -33.8364 -33.8364 -14.8608 -14.8608 -14.7988 -14.7988 -13.4631 -13.4631 -13.4226 -13.4226 -13.3577 -13.3577 -13.3101 -13.3101 1.8718 1.8718 3.8773 3.8773 6.2791 6.2791 7.4155 7.4155 8.1272 8.1272 9.5864 9.5864 9.7130 9.7130 10.2394 10.2394 10.3943 10.3943 10.5992 10.5992 k =-0.5000 0.1669 0.2125 ( 2736 PWs) bands (ev): -33.8556 -33.8556 -33.8362 -33.8362 -14.8610 -14.8610 -14.7975 -14.7975 -13.4623 -13.4623 -13.4201 -13.4201 -13.3597 -13.3597 -13.3099 -13.3099 1.8394 1.8394 3.8368 3.8368 6.4124 6.4124 7.4232 7.4232 8.1198 8.1198 9.5689 9.5689 9.5914 9.5914 10.2439 10.2439 10.4457 10.4457 10.6345 10.6345 k =-0.5000 0.1669 0.1932 ( 2732 PWs) bands (ev): -33.8559 -33.8559 -33.8360 -33.8360 -14.8611 -14.8611 -14.7962 -14.7962 -13.4615 -13.4615 -13.4177 -13.4177 -13.3617 -13.3617 -13.3098 -13.3098 1.8099 1.8099 3.7995 3.7995 6.5465 6.5465 7.4276 7.4276 8.1135 8.1135 9.4658 9.4658 9.5526 9.5526 10.2506 10.2506 10.4968 10.4968 10.6687 10.6687 k =-0.5000 0.1669 0.1738 ( 2734 PWs) bands (ev): -33.8561 -33.8561 -33.8359 -33.8359 -14.8612 -14.8612 -14.7951 -14.7951 -13.4607 -13.4607 -13.4152 -13.4152 -13.3637 -13.3637 -13.3096 -13.3096 1.7830 1.7830 3.7655 3.7655 6.6812 6.6812 7.4296 7.4296 8.1082 8.1082 9.3377 9.3377 9.5374 9.5374 10.2590 10.2590 10.5469 10.5469 10.7009 10.7009 k =-0.5000 0.1669 0.1545 ( 2726 PWs) bands (ev): -33.8563 -33.8563 -33.8357 -33.8357 -14.8613 -14.8613 -14.7940 -14.7940 -13.4600 -13.4600 -13.4128 -13.4128 -13.3657 -13.3657 -13.3095 -13.3095 1.7590 1.7590 3.7348 3.7348 6.8161 6.8161 7.4298 7.4298 8.1035 8.1035 9.2079 9.2079 9.5234 9.5234 10.2686 10.2686 10.5954 10.5954 10.7306 10.7306 k =-0.5000 0.1669 0.1352 ( 2722 PWs) bands (ev): -33.8565 -33.8565 -33.8356 -33.8356 -14.8614 -14.8614 -14.7931 -14.7931 -13.4594 -13.4594 -13.4104 -13.4104 -13.3677 -13.3677 -13.3094 -13.3094 1.7377 1.7377 3.7076 3.7076 6.9507 6.9507 7.4287 7.4287 8.0994 8.0994 9.0773 9.0773 9.5109 9.5109 10.2788 10.2788 10.6414 10.6414 10.7573 10.7573 k =-0.5000 0.1669 0.1159 ( 2726 PWs) bands (ev): -33.8567 -33.8567 -33.8355 -33.8355 -14.8615 -14.8615 -14.7923 -14.7923 -13.4588 -13.4588 -13.4082 -13.4082 -13.3696 -13.3696 -13.3093 -13.3093 1.7193 1.7193 3.6839 3.6839 7.0841 7.0841 7.4269 7.4269 8.0959 8.0959 8.9469 8.9469 9.5000 9.5000 10.2889 10.2889 10.6842 10.6842 10.7808 10.7808 k =-0.5000 0.1669 0.0966 ( 2726 PWs) bands (ev): -33.8568 -33.8568 -33.8354 -33.8354 -14.8615 -14.8615 -14.7916 -14.7916 -13.4583 -13.4583 -13.4060 -13.4060 -13.3715 -13.3715 -13.3092 -13.3092 1.7036 1.7036 3.6638 3.6638 7.2151 7.2151 7.4248 7.4248 8.0928 8.0928 8.8182 8.8182 9.4906 9.4906 10.2985 10.2985 10.7225 10.7225 10.8011 10.8011 k =-0.5000 0.1669 0.0773 ( 2726 PWs) bands (ev): -33.8569 -33.8569 -33.8353 -33.8353 -14.8616 -14.8616 -14.7910 -14.7910 -13.4579 -13.4579 -13.4040 -13.4040 -13.3732 -13.3732 -13.3091 -13.3091 1.6908 1.6908 3.6472 3.6472 7.3416 7.3416 7.4227 7.4227 8.0902 8.0902 8.6933 8.6933 9.4828 9.4828 10.3071 10.3071 10.7554 10.7554 10.8182 10.8182 k =-0.5000 0.1669 0.0579 ( 2722 PWs) bands (ev): -33.8570 -33.8570 -33.8353 -33.8353 -14.8616 -14.8616 -14.7906 -14.7906 -13.4576 -13.4576 -13.4023 -13.4023 -13.3747 -13.3747 -13.3090 -13.3090 1.6809 1.6809 3.6343 3.6343 7.4202 7.4202 7.4607 7.4607 8.0881 8.0881 8.5759 8.5759 9.4767 9.4767 10.3141 10.3141 10.7817 10.7817 10.8322 10.8322 k =-0.5000 0.1669 0.0386 ( 2730 PWs) bands (ev): -33.8571 -33.8571 -33.8353 -33.8353 -14.8616 -14.8616 -14.7902 -14.7902 -13.4574 -13.4574 -13.4010 -13.4010 -13.3760 -13.3760 -13.3090 -13.3090 1.6738 1.6738 3.6251 3.6251 7.4189 7.4189 7.5641 7.5641 8.0866 8.0866 8.4730 8.4730 9.4724 9.4724 10.3195 10.3195 10.8006 10.8006 10.8429 10.8429 k =-0.5000 0.1669 0.0193 ( 2730 PWs) bands (ev): -33.8571 -33.8571 -33.8352 -33.8352 -14.8616 -14.8616 -14.7901 -14.7901 -13.4573 -13.4573 -13.4001 -13.4001 -13.3768 -13.3768 -13.3090 -13.3090 1.6695 1.6695 3.6195 3.6195 7.4180 7.4180 7.6399 7.6399 8.0856 8.0856 8.3978 8.3978 9.4697 9.4697 10.3227 10.3227 10.8117 10.8117 10.8499 10.8499 k =-0.5000 0.1669-0.0000 ( 2718 PWs) bands (ev): -33.8571 -33.8571 -33.8352 -33.8352 -14.8616 -14.8616 -14.7900 -14.7900 -13.4572 -13.4572 -13.3998 -13.3998 -13.3771 -13.3771 -13.3090 -13.3090 1.6681 1.6681 3.6177 3.6177 7.4177 7.4177 7.6687 7.6687 8.0853 8.0853 8.3690 8.3690 9.4688 9.4688 10.3239 10.3239 10.8153 10.8153 10.8523 10.8523 k = 0.0000 0.0000 0.6954 ( 2760 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8385 -14.8385 -14.8385 -14.8385 -13.4513 -13.4513 -13.4513 -13.4513 -13.3444 -13.3444 -13.3444 -13.3444 3.0671 3.0671 3.0671 3.0671 7.0310 7.0310 7.0310 7.0310 7.8724 7.8724 7.8724 7.8724 9.1130 9.1130 9.1130 9.1130 11.6572 11.6572 11.6572 11.6572 k =-0.0179 0.0060 0.6954 ( 2756 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8385 -14.8385 -14.8385 -14.8385 -13.4513 -13.4513 -13.4513 -13.4513 -13.3443 -13.3443 -13.3443 -13.3443 3.0680 3.0680 3.0680 3.0680 7.0235 7.0235 7.0235 7.0235 7.8796 7.8796 7.8796 7.8796 9.1142 9.1142 9.1142 9.1142 11.6568 11.6568 11.6568 11.6568 k =-0.0357 0.0119 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8385 -14.8385 -14.8385 -14.8385 -13.4515 -13.4515 -13.4515 -13.4515 -13.3440 -13.3440 -13.3440 -13.3440 3.0706 3.0706 3.0706 3.0706 7.0016 7.0016 7.0017 7.0017 7.9005 7.9005 7.9005 7.9005 9.1177 9.1177 9.1177 9.1177 11.6556 11.6556 11.6556 11.6556 k =-0.0536 0.0179 0.6954 ( 2748 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8386 -14.8386 -14.8386 -14.8386 -13.4519 -13.4519 -13.4519 -13.4519 -13.3436 -13.3436 -13.3436 -13.3436 3.0750 3.0750 3.0750 3.0750 6.9675 6.9675 6.9675 6.9675 7.9330 7.9330 7.9330 7.9330 9.1235 9.1235 9.1235 9.1235 11.6536 11.6536 11.6536 11.6536 k =-0.0714 0.0238 0.6954 ( 2748 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8387 -14.8387 -14.8387 -14.8387 -13.4524 -13.4524 -13.4524 -13.4524 -13.3431 -13.3431 -13.3431 -13.3431 3.0810 3.0810 3.0810 3.0810 6.9236 6.9236 6.9236 6.9236 7.9748 7.9748 7.9748 7.9748 9.1316 9.1316 9.1316 9.1316 11.6507 11.6507 11.6507 11.6507 k =-0.0893 0.0298 0.6954 ( 2748 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8388 -14.8388 -14.8388 -14.8388 -13.4530 -13.4530 -13.4530 -13.4530 -13.3424 -13.3424 -13.3424 -13.3424 3.0888 3.0888 3.0888 3.0888 6.8722 6.8722 6.8722 6.8722 8.0235 8.0235 8.0235 8.0235 9.1420 9.1420 9.1420 9.1420 11.6468 11.6468 11.6468 11.6468 k =-0.1071 0.0358 0.6954 ( 2744 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8389 -14.8389 -14.8389 -14.8389 -13.4537 -13.4537 -13.4537 -13.4537 -13.3415 -13.3415 -13.3415 -13.3415 3.0981 3.0981 3.0981 3.0981 6.8155 6.8155 6.8155 6.8155 8.0771 8.0771 8.0771 8.0771 9.1547 9.1547 9.1547 9.1547 11.6417 11.6417 11.6417 11.6417 k =-0.1250 0.0417 0.6954 ( 2746 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8390 -14.8390 -14.8390 -14.8390 -13.4545 -13.4545 -13.4545 -13.4545 -13.3406 -13.3406 -13.3406 -13.3406 3.1090 3.1090 3.1090 3.1090 6.7550 6.7550 6.7550 6.7550 8.1340 8.1340 8.1340 8.1340 9.1695 9.1695 9.1695 9.1695 11.6352 11.6352 11.6352 11.6352 k =-0.1429 0.0477 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8392 -14.8392 -14.8392 -14.8392 -13.4554 -13.4554 -13.4554 -13.4554 -13.3396 -13.3396 -13.3396 -13.3396 3.1213 3.1213 3.1213 3.1213 6.6920 6.6920 6.6921 6.6921 8.1932 8.1932 8.1932 8.1932 9.1865 9.1865 9.1865 9.1865 11.6266 11.6266 11.6266 11.6266 k =-0.1607 0.0536 0.6954 ( 2748 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8393 -14.8393 -14.8393 -14.8393 -13.4563 -13.4563 -13.4563 -13.4563 -13.3385 -13.3385 -13.3385 -13.3385 3.1350 3.1350 3.1350 3.1350 6.6275 6.6275 6.6276 6.6276 8.2536 8.2536 8.2536 8.2536 9.2055 9.2055 9.2055 9.2055 11.6153 11.6153 11.6153 11.6153 k =-0.1786 0.0596 0.6954 ( 2756 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8395 -14.8395 -14.8395 -14.8395 -13.4574 -13.4574 -13.4574 -13.4574 -13.3373 -13.3373 -13.3373 -13.3373 3.1499 3.1499 3.1499 3.1499 6.5623 6.5623 6.5623 6.5623 8.3147 8.3147 8.3147 8.3147 9.2266 9.2266 9.2266 9.2266 11.5999 11.5999 11.5999 11.5999 k =-0.1964 0.0656 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8397 -14.8397 -14.8397 -14.8397 -13.4584 -13.4584 -13.4584 -13.4584 -13.3361 -13.3361 -13.3361 -13.3361 3.1660 3.1660 3.1660 3.1660 6.4970 6.4970 6.4970 6.4970 8.3758 8.3758 8.3758 8.3758 9.2495 9.2495 9.2495 9.2495 11.5792 11.5792 11.5792 11.5792 k =-0.2143 0.0715 0.6954 ( 2756 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8399 -14.8399 -14.8399 -14.8399 -13.4595 -13.4595 -13.4594 -13.4594 -13.3348 -13.3348 -13.3348 -13.3348 3.1830 3.1830 3.1830 3.1830 6.4322 6.4322 6.4322 6.4322 8.4366 8.4366 8.4366 8.4366 9.2743 9.2743 9.2743 9.2743 11.5518 11.5518 11.5518 11.5518 k =-0.2321 0.0775 0.6954 ( 2756 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8401 -14.8401 -14.8401 -14.8401 -13.4605 -13.4605 -13.4605 -13.4605 -13.3336 -13.3336 -13.3336 -13.3336 3.2008 3.2008 3.2008 3.2008 6.3683 6.3683 6.3683 6.3683 8.4965 8.4965 8.4966 8.4966 9.3007 9.3007 9.3007 9.3007 11.5168 11.5168 11.5168 11.5168 k =-0.2500 0.0834 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8403 -14.8403 -14.8403 -14.8403 -13.4616 -13.4616 -13.4616 -13.4616 -13.3323 -13.3323 -13.3323 -13.3323 3.2193 3.2193 3.2193 3.2193 6.3059 6.3059 6.3059 6.3059 8.5554 8.5554 8.5554 8.5554 9.3285 9.3285 9.3285 9.3285 11.4750 11.4750 11.4750 11.4750 k =-0.2679 0.0894 0.6954 ( 2744 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8405 -14.8405 -14.8405 -14.8405 -13.4626 -13.4626 -13.4626 -13.4626 -13.3311 -13.3311 -13.3311 -13.3311 3.2382 3.2382 3.2382 3.2382 6.2453 6.2453 6.2453 6.2453 8.6129 8.6129 8.6129 8.6129 9.3577 9.3577 9.3577 9.3577 11.4277 11.4277 11.4277 11.4277 k =-0.2857 0.0953 0.6954 ( 2738 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8407 -14.8407 -14.8407 -14.8407 -13.4636 -13.4636 -13.4636 -13.4636 -13.3299 -13.3299 -13.3299 -13.3299 3.2573 3.2573 3.2573 3.2573 6.1870 6.1870 6.1870 6.1870 8.6685 8.6685 8.6685 8.6685 9.3879 9.3879 9.3879 9.3879 11.3772 11.3772 11.3772 11.3772 k =-0.3036 0.1013 0.6954 ( 2740 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8409 -14.8409 -14.8409 -14.8409 -13.4646 -13.4646 -13.4646 -13.4646 -13.3288 -13.3288 -13.3288 -13.3288 3.2764 3.2764 3.2764 3.2764 6.1313 6.1313 6.1313 6.1313 8.7221 8.7221 8.7221 8.7221 9.4189 9.4189 9.4189 9.4189 11.3251 11.3251 11.3251 11.3251 k =-0.3214 0.1073 0.6954 ( 2744 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8411 -14.8411 -14.8411 -14.8411 -13.4655 -13.4655 -13.4655 -13.4655 -13.3277 -13.3277 -13.3277 -13.3277 3.2951 3.2951 3.2952 3.2952 6.0787 6.0787 6.0787 6.0787 8.7732 8.7732 8.7732 8.7732 9.4504 9.4504 9.4504 9.4504 11.2730 11.2730 11.2730 11.2730 k =-0.3393 0.1132 0.6954 ( 2748 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8413 -14.8413 -14.8413 -14.8413 -13.4663 -13.4663 -13.4663 -13.4663 -13.3266 -13.3266 -13.3266 -13.3266 3.3134 3.3134 3.3134 3.3134 6.0296 6.0296 6.0296 6.0296 8.8215 8.8215 8.8215 8.8215 9.4819 9.4819 9.4819 9.4819 11.2221 11.2221 11.2221 11.2221 k =-0.3571 0.1192 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8414 -14.8414 -14.8414 -14.8414 -13.4671 -13.4671 -13.4671 -13.4671 -13.3257 -13.3257 -13.3257 -13.3257 3.3307 3.3307 3.3307 3.3307 5.9843 5.9843 5.9843 5.9843 8.8665 8.8665 8.8665 8.8665 9.5129 9.5129 9.5129 9.5129 11.1734 11.1734 11.1734 11.1734 k =-0.3750 0.1251 0.6954 ( 2752 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8416 -14.8416 -14.8416 -14.8416 -13.4678 -13.4678 -13.4678 -13.4678 -13.3249 -13.3249 -13.3249 -13.3249 3.3470 3.3470 3.3470 3.3470 5.9432 5.9432 5.9432 5.9432 8.9079 8.9079 8.9079 8.9079 9.5430 9.5430 9.5430 9.5430 11.1276 11.1276 11.1276 11.1276 k =-0.3929 0.1311 0.6954 ( 2750 PWs) bands (ev): -33.8448 -33.8448 -33.8448 -33.8448 -14.8417 -14.8417 -14.8417 -14.8417 -13.4684 -13.4684 -13.4684 -13.4684 -13.3241 -13.3241 -13.3241 -13.3241 3.3618 3.3618 3.3618 3.3618 5.9067 5.9067 5.9067 5.9067 8.9451 8.9451 8.9451 8.9451 9.5715 9.5715 9.5715 9.5715 11.0855 11.0855 11.0855 11.0855 k =-0.4107 0.1371 0.6954 ( 2742 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8418 -14.8418 -14.8418 -14.8418 -13.4690 -13.4690 -13.4690 -13.4690 -13.3235 -13.3235 -13.3235 -13.3235 3.3749 3.3749 3.3749 3.3749 5.8751 5.8751 5.8751 5.8751 8.9777 8.9777 8.9777 8.9777 9.5976 9.5976 9.5976 9.5976 11.0474 11.0474 11.0474 11.0474 k =-0.4286 0.1430 0.6954 ( 2742 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8419 -14.8419 -14.8419 -14.8419 -13.4694 -13.4694 -13.4694 -13.4694 -13.3229 -13.3229 -13.3229 -13.3229 3.3861 3.3861 3.3861 3.3861 5.8488 5.8488 5.8488 5.8488 9.0052 9.0052 9.0052 9.0052 9.6206 9.6206 9.6206 9.6206 11.0141 11.0141 11.0141 11.0141 k =-0.4464 0.1490 0.6954 ( 2740 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8420 -14.8420 -14.8420 -14.8420 -13.4698 -13.4698 -13.4698 -13.4698 -13.3225 -13.3225 -13.3225 -13.3225 3.3950 3.3950 3.3950 3.3950 5.8280 5.8280 5.8281 5.8281 9.0272 9.0272 9.0272 9.0272 9.6396 9.6396 9.6396 9.6396 10.9863 10.9863 10.9863 10.9863 k =-0.4643 0.1549 0.6954 ( 2736 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4700 -13.4700 -13.4700 -13.4700 -13.3222 -13.3222 -13.3222 -13.3222 3.4015 3.4015 3.4016 3.4016 5.8130 5.8130 5.8130 5.8130 9.0432 9.0432 9.0432 9.0432 9.6538 9.6538 9.6538 9.6538 10.9653 10.9653 10.9653 10.9653 k =-0.4821 0.1609 0.6954 ( 2732 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4702 -13.4702 -13.4702 -13.4702 -13.3220 -13.3220 -13.3220 -13.3220 3.4055 3.4055 3.4055 3.4055 5.8039 5.8039 5.8040 5.8040 9.0530 9.0530 9.0530 9.0530 9.6627 9.6627 9.6627 9.6627 10.9521 10.9521 10.9521 10.9521 k =-0.5000 0.1669 0.6954 ( 2724 PWs) bands (ev): -33.8447 -33.8447 -33.8447 -33.8447 -14.8421 -14.8421 -14.8421 -14.8421 -13.4702 -13.4702 -13.4702 -13.4702 -13.3220 -13.3220 -13.3220 -13.3220 3.4069 3.4069 3.4069 3.4069 5.8009 5.8009 5.8009 5.8009 9.0562 9.0562 9.0562 9.0562 9.6657 9.6657 9.6657 9.6657 10.9476 10.9476 10.9476 10.9476 Writing output data file YAl.save init_run : 0.26s CPU 0.39s WALL ( 1 calls) electrons : 101.28s CPU 103.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 101.28s CPU 103.32s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 408 calls) cegterg : 88.28s CPU 89.61s WALL ( 537 calls) Called by sum_band: Called by *egterg: h_psi : 50.78s CPU 52.12s WALL ( 8627 calls) s_psi : 3.98s CPU 3.94s WALL ( 8627 calls) g_psi : 0.13s CPU 0.13s WALL ( 7682 calls) cdiaghg : 36.05s CPU 36.11s WALL ( 8090 calls) cegterg:over : 2.51s CPU 2.73s WALL ( 7682 calls) cegterg:upda : 2.01s CPU 2.08s WALL ( 7682 calls) cegterg:last : 1.20s CPU 1.21s WALL ( 1358 calls) cdiaghg:chol : 1.88s CPU 1.93s WALL ( 8090 calls) cdiaghg:inve : 0.98s CPU 1.03s WALL ( 8090 calls) cdiaghg:para : 1.93s CPU 2.05s WALL ( 16180 calls) Called by h_psi: h_psi:vloc : 42.55s CPU 43.75s WALL ( 8627 calls) h_psi:vnl : 8.11s CPU 8.26s WALL ( 8627 calls) add_vuspsi : 4.58s CPU 4.58s WALL ( 8627 calls) General routines calbec : 3.50s CPU 3.66s WALL ( 8627 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 39.15s CPU 40.08s WALL ( 672668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.25s WALL ( 816 calls) Parallel routines fft_scatter : 14.85s CPU 15.44s WALL ( 672691 calls) PWSCF : 1m53.84s CPU 2m11.32s WALL This run was terminated on: 19:44:57 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=