Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 6:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2102 447 76 Max 55 20 7 2111 468 80 Sum 2621 949 293 101061 21995 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5908 a.u. unit-cell volume = 433.4285 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.590779 celldm(2)= 1.000000 celldm(3)= 0.990971 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.003415 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.003415 0.999994 0.000000 ) a(3) = ( 0.000000 0.000000 0.990971 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.003415 -0.000000 ) b(2) = ( 0.000000 1.000006 -0.000000 ) b(3) = ( 0.000000 0.000000 1.009111 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] 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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0088982 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0177964 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0266946 0.0267859 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0355927 0.0357145 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0444909 0.0446431 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0533891 0.0535717 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0622873 0.0625004 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0711855 0.0714290 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0800837 0.0803576 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0889818 0.0892862 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0978800 0.0982149 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1067782 0.1071435 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1156764 0.1160721 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1245746 0.1250007 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1334728 0.1339293 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1423709 0.1428580 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1512691 0.1517866 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1601673 0.1607152 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1690655 0.1696438 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1779637 0.1785725 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1868619 0.1875011 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1957600 0.1964297 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2046582 0.2053583 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2135564 0.2142870 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2224546 0.2232156 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2313528 0.2321442 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2402510 0.2410728 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2491491 0.2500015 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2580473 0.2589301 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2669455 0.2678587 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2758437 0.2767873 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2847419 0.2857159 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2936401 0.2946446 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3025382 0.3035732 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3114364 0.3125018 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3203346 0.3214304 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3292328 0.3303591 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3381310 0.3392877 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3470292 0.3482163 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3559273 0.3571449 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3648255 0.3660736 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3737237 0.3750022 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3826219 0.3839308 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3915201 0.3928594 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4004183 0.4017881 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4093164 0.4107167 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4182146 0.4196453 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4271128 0.4285739 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4360110 0.4375026 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4449092 0.4464312 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4538074 0.4553598 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4627056 0.4642884 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4716037 0.4732170 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4805019 0.4821457 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4894001 0.4910743 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4982983 0.5000029 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4982983 0.5000029 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4855214 0.5000029 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4727445 0.5000029 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4599676 0.5000029 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4471908 0.5000029 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4344139 0.5000029 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4216370 0.5000029 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4088601 0.5000029 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3960832 0.5000029 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3833064 0.5000029 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3705295 0.5000029 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3577526 0.5000029 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3449757 0.5000029 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3321988 0.5000029 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3194220 0.5000029 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3066451 0.5000029 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2938682 0.5000029 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2810913 0.5000029 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2683145 0.5000029 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2555376 0.5000029 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2427607 0.5000029 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2299838 0.5000029 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2172069 0.5000029 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2044301 0.5000029 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1916532 0.5000029 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1788763 0.5000029 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1660994 0.5000029 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1533226 0.5000029 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1405457 0.5000029 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1277688 0.5000029 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1149919 0.5000029 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022150 0.5000029 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894381 0.5000029 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0766613 0.5000029 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0638844 0.5000029 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511075 0.5000029 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383306 0.5000029 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255538 0.5000029 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127769 0.5000029 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000029 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000029 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000029 0.0126139), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000029 0.0252278), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000029 0.0378417), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000029 0.0504556), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000029 0.0630694), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000029 0.0756833), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000029 0.0882972), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000029 0.1009111), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000029 0.1135250), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000029 0.1261389), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000029 0.1387528), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000029 0.1513667), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000029 0.1639805), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000029 0.1765944), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000029 0.1892083), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000029 0.2018222), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000029 0.2144361), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000029 0.2270500), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000029 0.2396639), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000029 0.2522778), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000029 0.2648916), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000029 0.2775055), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000029 0.2901194), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000029 0.3027333), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000029 0.3153472), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000029 0.3279611), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000029 0.3405750), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000029 0.3531889), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000029 0.3658027), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000029 0.3784166), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000029 0.3910305), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000029 0.4036444), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000029 0.4162583), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000029 0.4288722), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000029 0.4414861), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000029 0.4541000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000029 0.4667138), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000029 0.4793277), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000029 0.4919416), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000029 0.5045555), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000029 0.5045555), wk = 0.0021008 k( 140) = ( 0.0127769 0.5000029 0.5045555), wk = 0.0021008 k( 141) = ( 0.0255538 0.5000029 0.5045555), wk = 0.0021008 k( 142) = ( 0.0383306 0.5000029 0.5045555), wk = 0.0021008 k( 143) = ( 0.0511075 0.5000029 0.5045555), wk = 0.0021008 k( 144) = ( 0.0638844 0.5000029 0.5045555), wk = 0.0021008 k( 145) = ( 0.0766613 0.5000029 0.5045555), wk = 0.0021008 k( 146) = ( 0.0894381 0.5000029 0.5045555), wk = 0.0021008 k( 147) = ( 0.1022150 0.5000029 0.5045555), wk = 0.0021008 k( 148) = ( 0.1149919 0.5000029 0.5045555), wk = 0.0021008 k( 149) = ( 0.1277688 0.5000029 0.5045555), wk = 0.0021008 k( 150) = ( 0.1405457 0.5000029 0.5045555), wk = 0.0021008 k( 151) = ( 0.1533226 0.5000029 0.5045555), wk = 0.0021008 k( 152) = ( 0.1660994 0.5000029 0.5045555), wk = 0.0021008 k( 153) = ( 0.1788763 0.5000029 0.5045555), wk = 0.0021008 k( 154) = ( 0.1916532 0.5000029 0.5045555), wk = 0.0021008 k( 155) = ( 0.2044301 0.5000029 0.5045555), wk = 0.0021008 k( 156) = ( 0.2172069 0.5000029 0.5045555), wk = 0.0021008 k( 157) = ( 0.2299838 0.5000029 0.5045555), wk = 0.0021008 k( 158) = ( 0.2427607 0.5000029 0.5045555), wk = 0.0021008 k( 159) = ( 0.2555376 0.5000029 0.5045555), wk = 0.0021008 k( 160) = ( 0.2683145 0.5000029 0.5045555), wk = 0.0021008 k( 161) = ( 0.2810913 0.5000029 0.5045555), wk = 0.0021008 k( 162) = ( 0.2938682 0.5000029 0.5045555), wk = 0.0021008 k( 163) = ( 0.3066451 0.5000029 0.5045555), wk = 0.0021008 k( 164) = ( 0.3194220 0.5000029 0.5045555), wk = 0.0021008 k( 165) = ( 0.3321988 0.5000029 0.5045555), wk = 0.0021008 k( 166) = ( 0.3449757 0.5000029 0.5045555), wk = 0.0021008 k( 167) = ( 0.3577526 0.5000029 0.5045555), wk = 0.0021008 k( 168) = ( 0.3705295 0.5000029 0.5045555), wk = 0.0021008 k( 169) = ( 0.3833064 0.5000029 0.5045555), wk = 0.0021008 k( 170) = ( 0.3960832 0.5000029 0.5045555), wk = 0.0021008 k( 171) = ( 0.4088601 0.5000029 0.5045555), wk = 0.0021008 k( 172) = ( 0.4216370 0.5000029 0.5045555), wk = 0.0021008 k( 173) = ( 0.4344139 0.5000029 0.5045555), wk = 0.0021008 k( 174) = ( 0.4471908 0.5000029 0.5045555), wk = 0.0021008 k( 175) = ( 0.4599676 0.5000029 0.5045555), wk = 0.0021008 k( 176) = ( 0.4727445 0.5000029 0.5045555), wk = 0.0021008 k( 177) = ( 0.4855214 0.5000029 0.5045555), wk = 0.0021008 k( 178) = ( 0.4982983 0.5000029 0.5045555), wk = 0.0021008 k( 179) = ( 0.4982983 0.5000029 0.5045555), wk = 0.0021008 k( 180) = ( 0.4894001 0.4910743 0.5045555), wk = 0.0021008 k( 181) = ( 0.4805019 0.4821457 0.5045555), wk = 0.0021008 k( 182) = ( 0.4716037 0.4732170 0.5045555), wk = 0.0021008 k( 183) = ( 0.4627056 0.4642884 0.5045555), wk = 0.0021008 k( 184) = ( 0.4538074 0.4553598 0.5045555), wk = 0.0021008 k( 185) = ( 0.4449092 0.4464312 0.5045555), wk = 0.0021008 k( 186) = ( 0.4360110 0.4375026 0.5045555), wk = 0.0021008 k( 187) = ( 0.4271128 0.4285739 0.5045555), wk = 0.0021008 k( 188) = ( 0.4182146 0.4196453 0.5045555), wk = 0.0021008 k( 189) = ( 0.4093164 0.4107167 0.5045555), wk = 0.0021008 k( 190) = ( 0.4004183 0.4017881 0.5045555), wk = 0.0021008 k( 191) = ( 0.3915201 0.3928594 0.5045555), wk = 0.0021008 k( 192) = ( 0.3826219 0.3839308 0.5045555), wk = 0.0021008 k( 193) = ( 0.3737237 0.3750022 0.5045555), wk = 0.0021008 k( 194) = ( 0.3648255 0.3660736 0.5045555), wk = 0.0021008 k( 195) = ( 0.3559273 0.3571449 0.5045555), wk = 0.0021008 k( 196) = ( 0.3470292 0.3482163 0.5045555), wk = 0.0021008 k( 197) = ( 0.3381310 0.3392877 0.5045555), wk = 0.0021008 k( 198) = ( 0.3292328 0.3303591 0.5045555), wk = 0.0021008 k( 199) = ( 0.3203346 0.3214304 0.5045555), wk = 0.0021008 k( 200) = ( 0.3114364 0.3125018 0.5045555), wk = 0.0021008 k( 201) = ( 0.3025382 0.3035732 0.5045555), wk = 0.0021008 k( 202) = ( 0.2936401 0.2946446 0.5045555), wk = 0.0021008 k( 203) = ( 0.2847419 0.2857159 0.5045555), wk = 0.0021008 k( 204) = ( 0.2758437 0.2767873 0.5045555), wk = 0.0021008 k( 205) = ( 0.2669455 0.2678587 0.5045555), wk = 0.0021008 k( 206) = ( 0.2580473 0.2589301 0.5045555), wk = 0.0021008 k( 207) = ( 0.2491491 0.2500015 0.5045555), wk = 0.0021008 k( 208) = ( 0.2402510 0.2410728 0.5045555), wk = 0.0021008 k( 209) = ( 0.2313528 0.2321442 0.5045555), wk = 0.0021008 k( 210) = ( 0.2224546 0.2232156 0.5045555), wk = 0.0021008 k( 211) = ( 0.2135564 0.2142870 0.5045555), wk = 0.0021008 k( 212) = ( 0.2046582 0.2053583 0.5045555), wk = 0.0021008 k( 213) = ( 0.1957600 0.1964297 0.5045555), wk = 0.0021008 k( 214) = ( 0.1868619 0.1875011 0.5045555), wk = 0.0021008 k( 215) = ( 0.1779637 0.1785725 0.5045555), wk = 0.0021008 k( 216) = ( 0.1690655 0.1696438 0.5045555), wk = 0.0021008 k( 217) = ( 0.1601673 0.1607152 0.5045555), wk = 0.0021008 k( 218) = ( 0.1512691 0.1517866 0.5045555), wk = 0.0021008 k( 219) = ( 0.1423709 0.1428580 0.5045555), wk = 0.0021008 k( 220) = ( 0.1334728 0.1339293 0.5045555), wk = 0.0021008 k( 221) = ( 0.1245746 0.1250007 0.5045555), wk = 0.0021008 k( 222) = ( 0.1156764 0.1160721 0.5045555), wk = 0.0021008 k( 223) = ( 0.1067782 0.1071435 0.5045555), wk = 0.0021008 k( 224) = ( 0.0978800 0.0982149 0.5045555), wk = 0.0021008 k( 225) = ( 0.0889818 0.0892862 0.5045555), wk = 0.0021008 k( 226) = ( 0.0800837 0.0803576 0.5045555), wk = 0.0021008 k( 227) = ( 0.0711855 0.0714290 0.5045555), wk = 0.0021008 k( 228) = ( 0.0622873 0.0625004 0.5045555), wk = 0.0021008 k( 229) = ( 0.0533891 0.0535717 0.5045555), wk = 0.0021008 k( 230) = ( 0.0444909 0.0446431 0.5045555), wk = 0.0021008 k( 231) = ( 0.0355927 0.0357145 0.5045555), wk = 0.0021008 k( 232) = ( 0.0266946 0.0267859 0.5045555), wk = 0.0021008 k( 233) = ( 0.0177964 0.0178572 0.5045555), wk = 0.0021008 k( 234) = ( 0.0088982 0.0089286 0.5045555), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5045555), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5045555), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4919416), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4793277), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4667138), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4541000), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4414861), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4288722), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4162583), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4036444), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3910305), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3784166), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3658027), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3531889), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3405750), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3279611), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3153472), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3027333), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2901194), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2775055), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2648916), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2522778), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2396639), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2270500), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2144361), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2018222), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1892083), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1765944), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1639805), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1513667), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1387528), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1261389), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1135250), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1009111), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0882972), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0756833), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0630694), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0504556), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0378417), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0252278), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0126139), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0088981 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0177963 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0266944 -0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0355925 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0444907 -0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0533888 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0622869 -0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0711851 -0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0800832 -0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0889813 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0978795 -0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1067776 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1156757 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1245738 -0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1334720 -0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1423701 -0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1512682 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1601664 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1690645 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1779626 -0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1868608 -0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1957589 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2046570 -0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2135552 -0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2224533 -0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2313514 -0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2402496 -0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2491477 -0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2580458 -0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2669439 -0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2758421 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2847402 -0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2936383 -0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3025365 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3114346 -0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3203327 -0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3292309 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3381290 -0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3470271 -0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3559253 -0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3648234 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3737215 -0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3826197 -0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3915178 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4004159 -0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4093141 -0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4182122 -0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4271103 -0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4360085 -0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4449066 -0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4538047 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4627028 -0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4716010 -0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4804991 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4893972 -0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4982954 -0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4982954 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4982983 0.5000029 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4982983 0.5000029 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4982983 0.5000029 0.0126139), wk = 0.0021008 k( 338) = ( -0.4982983 0.5000029 0.0252278), wk = 0.0021008 k( 339) = ( -0.4982983 0.5000029 0.0378417), wk = 0.0021008 k( 340) = ( -0.4982983 0.5000029 0.0504556), wk = 0.0021008 k( 341) = ( -0.4982983 0.5000029 0.0630694), wk = 0.0021008 k( 342) = ( -0.4982983 0.5000029 0.0756833), wk = 0.0021008 k( 343) = ( -0.4982983 0.5000029 0.0882972), wk = 0.0021008 k( 344) = ( -0.4982983 0.5000029 0.1009111), wk = 0.0021008 k( 345) = ( -0.4982983 0.5000029 0.1135250), wk = 0.0021008 k( 346) = ( -0.4982983 0.5000029 0.1261389), wk = 0.0021008 k( 347) = ( -0.4982983 0.5000029 0.1387528), wk = 0.0021008 k( 348) = ( -0.4982983 0.5000029 0.1513667), wk = 0.0021008 k( 349) = ( -0.4982983 0.5000029 0.1639805), wk = 0.0021008 k( 350) = ( -0.4982983 0.5000029 0.1765944), wk = 0.0021008 k( 351) = ( -0.4982983 0.5000029 0.1892083), wk = 0.0021008 k( 352) = ( -0.4982983 0.5000029 0.2018222), wk = 0.0021008 k( 353) = ( -0.4982983 0.5000029 0.2144361), wk = 0.0021008 k( 354) = ( -0.4982983 0.5000029 0.2270500), wk = 0.0021008 k( 355) = ( -0.4982983 0.5000029 0.2396639), wk = 0.0021008 k( 356) = ( -0.4982983 0.5000029 0.2522778), wk = 0.0021008 k( 357) = ( -0.4982983 0.5000029 0.2648916), wk = 0.0021008 k( 358) = ( -0.4982983 0.5000029 0.2775055), wk = 0.0021008 k( 359) = ( -0.4982983 0.5000029 0.2901194), wk = 0.0021008 k( 360) = ( -0.4982983 0.5000029 0.3027333), wk = 0.0021008 k( 361) = ( -0.4982983 0.5000029 0.3153472), wk = 0.0021008 k( 362) = ( -0.4982983 0.5000029 0.3279611), wk = 0.0021008 k( 363) = ( -0.4982983 0.5000029 0.3405750), wk = 0.0021008 k( 364) = ( -0.4982983 0.5000029 0.3531889), wk = 0.0021008 k( 365) = ( -0.4982983 0.5000029 0.3658027), wk = 0.0021008 k( 366) = ( -0.4982983 0.5000029 0.3784166), wk = 0.0021008 k( 367) = ( -0.4982983 0.5000029 0.3910305), wk = 0.0021008 k( 368) = ( -0.4982983 0.5000029 0.4036444), wk = 0.0021008 k( 369) = ( -0.4982983 0.5000029 0.4162583), wk = 0.0021008 k( 370) = ( -0.4982983 0.5000029 0.4288722), wk = 0.0021008 k( 371) = ( -0.4982983 0.5000029 0.4414861), wk = 0.0021008 k( 372) = ( -0.4982983 0.5000029 0.4541000), wk = 0.0021008 k( 373) = ( -0.4982983 0.5000029 0.4667138), wk = 0.0021008 k( 374) = ( -0.4982983 0.5000029 0.4793277), wk = 0.0021008 k( 375) = ( -0.4982983 0.5000029 0.4919416), wk = 0.0021008 k( 376) = ( -0.4982983 0.5000029 0.5045555), wk = 0.0021008 k( 377) = ( -0.4982983 0.5000029 0.5045555), wk = 0.0021008 k( 378) = ( -0.5000000 0.4982954 0.5045555), wk = 0.0021008 k( 379) = ( -0.5000000 0.4982954 0.5045555), wk = 0.0021008 k( 380) = ( -0.5000000 0.4982954 0.4919416), wk = 0.0021008 k( 381) = ( -0.5000000 0.4982954 0.4793277), wk = 0.0021008 k( 382) = ( -0.5000000 0.4982954 0.4667138), wk = 0.0021008 k( 383) = ( -0.5000000 0.4982954 0.4541000), wk = 0.0021008 k( 384) = ( -0.5000000 0.4982954 0.4414861), wk = 0.0021008 k( 385) = ( -0.5000000 0.4982954 0.4288722), wk = 0.0021008 k( 386) = ( -0.5000000 0.4982954 0.4162583), wk = 0.0021008 k( 387) = ( -0.5000000 0.4982954 0.4036444), wk = 0.0021008 k( 388) = ( -0.5000000 0.4982954 0.3910305), wk = 0.0021008 k( 389) = ( -0.5000000 0.4982954 0.3784166), wk = 0.0021008 k( 390) = ( -0.5000000 0.4982954 0.3658027), wk = 0.0021008 k( 391) = ( -0.5000000 0.4982954 0.3531889), wk = 0.0021008 k( 392) = ( -0.5000000 0.4982954 0.3405750), wk = 0.0021008 k( 393) = ( -0.5000000 0.4982954 0.3279611), wk = 0.0021008 k( 394) = ( -0.5000000 0.4982954 0.3153472), wk = 0.0021008 k( 395) = ( -0.5000000 0.4982954 0.3027333), wk = 0.0021008 k( 396) = ( -0.5000000 0.4982954 0.2901194), wk = 0.0021008 k( 397) = ( -0.5000000 0.4982954 0.2775055), wk = 0.0021008 k( 398) = ( -0.5000000 0.4982954 0.2648916), wk = 0.0021008 k( 399) = ( -0.5000000 0.4982954 0.2522778), wk = 0.0021008 k( 400) = ( -0.5000000 0.4982954 0.2396639), wk = 0.0021008 k( 401) = ( -0.5000000 0.4982954 0.2270500), wk = 0.0021008 k( 402) = ( -0.5000000 0.4982954 0.2144361), wk = 0.0021008 k( 403) = ( -0.5000000 0.4982954 0.2018222), wk = 0.0021008 k( 404) = ( -0.5000000 0.4982954 0.1892083), wk = 0.0021008 k( 405) = ( -0.5000000 0.4982954 0.1765944), wk = 0.0021008 k( 406) = ( -0.5000000 0.4982954 0.1639805), wk = 0.0021008 k( 407) = ( -0.5000000 0.4982954 0.1513667), wk = 0.0021008 k( 408) = ( -0.5000000 0.4982954 0.1387528), wk = 0.0021008 k( 409) = ( -0.5000000 0.4982954 0.1261389), wk = 0.0021008 k( 410) = ( -0.5000000 0.4982954 0.1135250), wk = 0.0021008 k( 411) = ( -0.5000000 0.4982954 0.1009111), wk = 0.0021008 k( 412) = ( -0.5000000 0.4982954 0.0882972), wk = 0.0021008 k( 413) = ( -0.5000000 0.4982954 0.0756833), wk = 0.0021008 k( 414) = ( -0.5000000 0.4982954 0.0630694), wk = 0.0021008 k( 415) = ( -0.5000000 0.4982954 0.0504556), wk = 0.0021008 k( 416) = ( -0.5000000 0.4982954 0.0378417), wk = 0.0021008 k( 417) = ( -0.5000000 0.4982954 0.0252278), wk = 0.0021008 k( 418) = ( -0.5000000 0.4982954 0.0126139), wk = 0.0021008 k( 419) = ( -0.5000000 0.4982954 -0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5045555), wk = 0.0021008 k( 421) = ( -0.0089286 0.0088981 0.5045555), wk = 0.0021008 k( 422) = ( -0.0178571 0.0177963 0.5045555), wk = 0.0021008 k( 423) = ( -0.0267857 0.0266944 0.5045555), wk = 0.0021008 k( 424) = ( -0.0357143 0.0355925 0.5045555), wk = 0.0021008 k( 425) = ( -0.0446429 0.0444907 0.5045555), wk = 0.0021008 k( 426) = ( -0.0535714 0.0533888 0.5045555), wk = 0.0021008 k( 427) = ( -0.0625000 0.0622869 0.5045555), wk = 0.0021008 k( 428) = ( -0.0714286 0.0711851 0.5045555), wk = 0.0021008 k( 429) = ( -0.0803571 0.0800832 0.5045555), wk = 0.0021008 k( 430) = ( -0.0892857 0.0889813 0.5045555), wk = 0.0021008 k( 431) = ( -0.0982143 0.0978795 0.5045555), wk = 0.0021008 k( 432) = ( -0.1071429 0.1067776 0.5045555), wk = 0.0021008 k( 433) = ( -0.1160714 0.1156757 0.5045555), wk = 0.0021008 k( 434) = ( -0.1250000 0.1245738 0.5045555), wk = 0.0021008 k( 435) = ( -0.1339286 0.1334720 0.5045555), wk = 0.0021008 k( 436) = ( -0.1428571 0.1423701 0.5045555), wk = 0.0021008 k( 437) = ( -0.1517857 0.1512682 0.5045555), wk = 0.0021008 k( 438) = ( -0.1607143 0.1601664 0.5045555), wk = 0.0021008 k( 439) = ( -0.1696429 0.1690645 0.5045555), wk = 0.0021008 k( 440) = ( -0.1785714 0.1779626 0.5045555), wk = 0.0021008 k( 441) = ( -0.1875000 0.1868608 0.5045555), wk = 0.0021008 k( 442) = ( -0.1964286 0.1957589 0.5045555), wk = 0.0021008 k( 443) = ( -0.2053571 0.2046570 0.5045555), wk = 0.0021008 k( 444) = ( -0.2142857 0.2135552 0.5045555), wk = 0.0021008 k( 445) = ( -0.2232143 0.2224533 0.5045555), wk = 0.0021008 k( 446) = ( -0.2321429 0.2313514 0.5045555), wk = 0.0021008 k( 447) = ( -0.2410714 0.2402496 0.5045555), wk = 0.0021008 k( 448) = ( -0.2500000 0.2491477 0.5045555), wk = 0.0021008 k( 449) = ( -0.2589286 0.2580458 0.5045555), wk = 0.0021008 k( 450) = ( -0.2678571 0.2669439 0.5045555), wk = 0.0021008 k( 451) = ( -0.2767857 0.2758421 0.5045555), wk = 0.0021008 k( 452) = ( -0.2857143 0.2847402 0.5045555), wk = 0.0021008 k( 453) = ( -0.2946429 0.2936383 0.5045555), wk = 0.0021008 k( 454) = ( -0.3035714 0.3025365 0.5045555), wk = 0.0021008 k( 455) = ( -0.3125000 0.3114346 0.5045555), wk = 0.0021008 k( 456) = ( -0.3214286 0.3203327 0.5045555), wk = 0.0021008 k( 457) = ( -0.3303571 0.3292309 0.5045555), wk = 0.0021008 k( 458) = ( -0.3392857 0.3381290 0.5045555), wk = 0.0021008 k( 459) = ( -0.3482143 0.3470271 0.5045555), wk = 0.0021008 k( 460) = ( -0.3571429 0.3559253 0.5045555), wk = 0.0021008 k( 461) = ( -0.3660714 0.3648234 0.5045555), wk = 0.0021008 k( 462) = ( -0.3750000 0.3737215 0.5045555), wk = 0.0021008 k( 463) = ( -0.3839286 0.3826197 0.5045555), wk = 0.0021008 k( 464) = ( -0.3928571 0.3915178 0.5045555), wk = 0.0021008 k( 465) = ( -0.4017857 0.4004159 0.5045555), wk = 0.0021008 k( 466) = ( -0.4107143 0.4093141 0.5045555), wk = 0.0021008 k( 467) = ( -0.4196429 0.4182122 0.5045555), wk = 0.0021008 k( 468) = ( -0.4285714 0.4271103 0.5045555), wk = 0.0021008 k( 469) = ( -0.4375000 0.4360085 0.5045555), wk = 0.0021008 k( 470) = ( -0.4464286 0.4449066 0.5045555), wk = 0.0021008 k( 471) = ( -0.4553571 0.4538047 0.5045555), wk = 0.0021008 k( 472) = ( -0.4642857 0.4627028 0.5045555), wk = 0.0021008 k( 473) = ( -0.4732143 0.4716010 0.5045555), wk = 0.0021008 k( 474) = ( -0.4821429 0.4804991 0.5045555), wk = 0.0021008 k( 475) = ( -0.4910714 0.4893972 0.5045555), wk = 0.0021008 k( 476) = ( -0.5000000 0.4982954 0.5045555), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0088982 0.0088982 0.0000000), wk = 0.0021008 k( 3) = ( 0.0177964 0.0177964 0.0000000), wk = 0.0021008 k( 4) = ( 0.0266946 0.0266946 0.0000000), wk = 0.0021008 k( 5) = ( 0.0355927 0.0355927 0.0000000), wk = 0.0021008 k( 6) = ( 0.0444909 0.0444909 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0533891 0.0533891 0.0000000), wk = 0.0021008 k( 8) = ( 0.0622873 0.0622873 0.0000000), wk = 0.0021008 k( 9) = ( 0.0711855 0.0711855 0.0000000), wk = 0.0021008 k( 10) = ( 0.0800837 0.0800837 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0889818 0.0889818 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0978800 0.0978800 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1067782 0.1067782 0.0000000), wk = 0.0021008 k( 14) = ( 0.1156764 0.1156764 0.0000000), wk = 0.0021008 k( 15) = ( 0.1245746 0.1245746 0.0000000), wk = 0.0021008 k( 16) = ( 0.1334728 0.1334728 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1423709 0.1423709 0.0000000), wk = 0.0021008 k( 18) = ( 0.1512691 0.1512691 0.0000000), wk = 0.0021008 k( 19) = ( 0.1601673 0.1601673 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1690655 0.1690655 0.0000000), wk = 0.0021008 k( 21) = ( 0.1779637 0.1779637 0.0000000), wk = 0.0021008 k( 22) = ( 0.1868619 0.1868619 0.0000000), wk = 0.0021008 k( 23) = ( 0.1957600 0.1957600 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2046582 0.2046582 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2135564 0.2135564 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2224546 0.2224546 0.0000000), wk = 0.0021008 k( 27) = ( 0.2313528 0.2313528 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2402510 0.2402510 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2491491 0.2491491 0.0000000), wk = 0.0021008 k( 30) = ( 0.2580473 0.2580473 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2669455 0.2669455 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2758437 0.2758437 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2847419 0.2847419 0.0000000), wk = 0.0021008 k( 34) = ( 0.2936401 0.2936401 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3025382 0.3025382 0.0000000), wk = 0.0021008 k( 36) = ( 0.3114364 0.3114364 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3203346 0.3203346 0.0000000), wk = 0.0021008 k( 38) = ( 0.3292328 0.3292328 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3381310 0.3381310 0.0000000), wk = 0.0021008 k( 40) = ( 0.3470292 0.3470292 0.0000000), wk = 0.0021008 k( 41) = ( 0.3559273 0.3559273 0.0000000), wk = 0.0021008 k( 42) = ( 0.3648255 0.3648255 0.0000000), wk = 0.0021008 k( 43) = ( 0.3737237 0.3737237 0.0000000), wk = 0.0021008 k( 44) = ( 0.3826219 0.3826219 0.0000000), wk = 0.0021008 k( 45) = ( 0.3915201 0.3915201 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4004183 0.4004183 0.0000000), wk = 0.0021008 k( 47) = ( 0.4093164 0.4093164 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4182146 0.4182146 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4271128 0.4271128 0.0000000), wk = 0.0021008 k( 50) = ( 0.4360110 0.4360110 0.0000000), wk = 0.0021008 k( 51) = ( 0.4449092 0.4449092 0.0000000), wk = 0.0021008 k( 52) = ( 0.4538074 0.4538074 0.0000000), wk = 0.0021008 k( 53) = ( 0.4627056 0.4627056 0.0000000), wk = 0.0021008 k( 54) = ( 0.4716037 0.4716037 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4805019 0.4805019 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4894001 0.4894001 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4982983 0.4982983 0.0000000), wk = 0.0021008 k( 58) = ( 0.4982983 0.4982983 0.0000000), wk = 0.0021008 k( 59) = ( 0.4855214 0.4983419 0.0000000), wk = 0.0021008 k( 60) = ( 0.4727445 0.4983855 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4599676 0.4984292 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4471908 0.4984728 0.0000000), wk = 0.0021008 k( 63) = ( 0.4344139 0.4985164 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4216370 0.4985601 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4088601 0.4986037 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3960832 0.4986474 0.0000000), wk = 0.0021008 k( 67) = ( 0.3833064 0.4986910 0.0000000), wk = 0.0021008 k( 68) = ( 0.3705295 0.4987346 0.0000000), wk = 0.0021008 k( 69) = ( 0.3577526 0.4987783 0.0000000), wk = 0.0021008 k( 70) = ( 0.3449757 0.4988219 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3321988 0.4988655 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3194220 0.4989092 0.0000000), wk = 0.0021008 k( 73) = ( 0.3066451 0.4989528 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2938682 0.4989964 0.0000000), wk = 0.0021008 k( 75) = ( 0.2810913 0.4990401 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2683145 0.4990837 0.0000000), wk = 0.0021008 k( 77) = ( 0.2555376 0.4991273 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2427607 0.4991710 0.0000000), wk = 0.0021008 k( 79) = ( 0.2299838 0.4992146 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2172069 0.4992582 0.0000000), wk = 0.0021008 k( 81) = ( 0.2044301 0.4993019 0.0000000), wk = 0.0021008 k( 82) = ( 0.1916532 0.4993455 0.0000000), wk = 0.0021008 k( 83) = ( 0.1788763 0.4993891 0.0000000), wk = 0.0021008 k( 84) = ( 0.1660994 0.4994328 0.0000000), wk = 0.0021008 k( 85) = ( 0.1533226 0.4994764 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1405457 0.4995200 0.0000000), wk = 0.0021008 k( 87) = ( 0.1277688 0.4995637 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1149919 0.4996073 0.0000000), wk = 0.0021008 k( 89) = ( 0.1022150 0.4996509 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894381 0.4996946 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0766613 0.4997382 0.0000000), wk = 0.0021008 k( 92) = ( 0.0638844 0.4997818 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511075 0.4998255 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383306 0.4998691 0.0000000), wk = 0.0021008 k( 95) = ( 0.0255538 0.4999127 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127769 0.4999564 0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 140) = ( 0.0127769 0.4999564 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255538 0.4999127 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383306 0.4998691 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511075 0.4998255 0.5000000), wk = 0.0021008 k( 144) = ( 0.0638844 0.4997818 0.5000000), wk = 0.0021008 k( 145) = ( 0.0766613 0.4997382 0.5000000), wk = 0.0021008 k( 146) = ( 0.0894381 0.4996946 0.5000000), wk = 0.0021008 k( 147) = ( 0.1022150 0.4996509 0.5000000), wk = 0.0021008 k( 148) = ( 0.1149919 0.4996073 0.5000000), wk = 0.0021008 k( 149) = ( 0.1277688 0.4995637 0.5000000), wk = 0.0021008 k( 150) = ( 0.1405457 0.4995200 0.5000000), wk = 0.0021008 k( 151) = ( 0.1533226 0.4994764 0.5000000), wk = 0.0021008 k( 152) = ( 0.1660994 0.4994328 0.5000000), wk = 0.0021008 k( 153) = ( 0.1788763 0.4993891 0.5000000), wk = 0.0021008 k( 154) = ( 0.1916532 0.4993455 0.5000000), wk = 0.0021008 k( 155) = ( 0.2044301 0.4993019 0.5000000), wk = 0.0021008 k( 156) = ( 0.2172069 0.4992582 0.5000000), wk = 0.0021008 k( 157) = ( 0.2299838 0.4992146 0.5000000), wk = 0.0021008 k( 158) = ( 0.2427607 0.4991710 0.5000000), wk = 0.0021008 k( 159) = ( 0.2555376 0.4991273 0.5000000), wk = 0.0021008 k( 160) = ( 0.2683145 0.4990837 0.5000000), wk = 0.0021008 k( 161) = ( 0.2810913 0.4990401 0.5000000), wk = 0.0021008 k( 162) = ( 0.2938682 0.4989964 0.5000000), wk = 0.0021008 k( 163) = ( 0.3066451 0.4989528 0.5000000), wk = 0.0021008 k( 164) = ( 0.3194220 0.4989092 0.5000000), wk = 0.0021008 k( 165) = ( 0.3321988 0.4988655 0.5000000), wk = 0.0021008 k( 166) = ( 0.3449757 0.4988219 0.5000000), wk = 0.0021008 k( 167) = ( 0.3577526 0.4987783 0.5000000), wk = 0.0021008 k( 168) = ( 0.3705295 0.4987346 0.5000000), wk = 0.0021008 k( 169) = ( 0.3833064 0.4986910 0.5000000), wk = 0.0021008 k( 170) = ( 0.3960832 0.4986474 0.5000000), wk = 0.0021008 k( 171) = ( 0.4088601 0.4986037 0.5000000), wk = 0.0021008 k( 172) = ( 0.4216370 0.4985601 0.5000000), wk = 0.0021008 k( 173) = ( 0.4344139 0.4985164 0.5000000), wk = 0.0021008 k( 174) = ( 0.4471908 0.4984728 0.5000000), wk = 0.0021008 k( 175) = ( 0.4599676 0.4984292 0.5000000), wk = 0.0021008 k( 176) = ( 0.4727445 0.4983855 0.5000000), wk = 0.0021008 k( 177) = ( 0.4855214 0.4983419 0.5000000), wk = 0.0021008 k( 178) = ( 0.4982983 0.4982983 0.5000000), wk = 0.0021008 k( 179) = ( 0.4982983 0.4982983 0.5000000), wk = 0.0021008 k( 180) = ( 0.4894001 0.4894001 0.5000000), wk = 0.0021008 k( 181) = ( 0.4805019 0.4805019 0.5000000), wk = 0.0021008 k( 182) = ( 0.4716037 0.4716037 0.5000000), wk = 0.0021008 k( 183) = ( 0.4627056 0.4627056 0.5000000), wk = 0.0021008 k( 184) = ( 0.4538074 0.4538074 0.5000000), wk = 0.0021008 k( 185) = ( 0.4449092 0.4449092 0.5000000), wk = 0.0021008 k( 186) = ( 0.4360110 0.4360110 0.5000000), wk = 0.0021008 k( 187) = ( 0.4271128 0.4271128 0.5000000), wk = 0.0021008 k( 188) = ( 0.4182146 0.4182146 0.5000000), wk = 0.0021008 k( 189) = ( 0.4093164 0.4093164 0.5000000), wk = 0.0021008 k( 190) = ( 0.4004183 0.4004183 0.5000000), wk = 0.0021008 k( 191) = ( 0.3915201 0.3915201 0.5000000), wk = 0.0021008 k( 192) = ( 0.3826219 0.3826219 0.5000000), wk = 0.0021008 k( 193) = ( 0.3737237 0.3737237 0.5000000), wk = 0.0021008 k( 194) = ( 0.3648255 0.3648255 0.5000000), wk = 0.0021008 k( 195) = ( 0.3559273 0.3559273 0.5000000), wk = 0.0021008 k( 196) = ( 0.3470292 0.3470292 0.5000000), wk = 0.0021008 k( 197) = ( 0.3381310 0.3381310 0.5000000), wk = 0.0021008 k( 198) = ( 0.3292328 0.3292328 0.5000000), wk = 0.0021008 k( 199) = ( 0.3203346 0.3203346 0.5000000), wk = 0.0021008 k( 200) = ( 0.3114364 0.3114364 0.5000000), wk = 0.0021008 k( 201) = ( 0.3025382 0.3025382 0.5000000), wk = 0.0021008 k( 202) = ( 0.2936401 0.2936401 0.5000000), wk = 0.0021008 k( 203) = ( 0.2847419 0.2847419 0.5000000), wk = 0.0021008 k( 204) = ( 0.2758437 0.2758437 0.5000000), wk = 0.0021008 k( 205) = ( 0.2669455 0.2669455 0.5000000), wk = 0.0021008 k( 206) = ( 0.2580473 0.2580473 0.5000000), wk = 0.0021008 k( 207) = ( 0.2491491 0.2491491 0.5000000), wk = 0.0021008 k( 208) = ( 0.2402510 0.2402510 0.5000000), wk = 0.0021008 k( 209) = ( 0.2313528 0.2313528 0.5000000), wk = 0.0021008 k( 210) = ( 0.2224546 0.2224546 0.5000000), wk = 0.0021008 k( 211) = ( 0.2135564 0.2135564 0.5000000), wk = 0.0021008 k( 212) = ( 0.2046582 0.2046582 0.5000000), wk = 0.0021008 k( 213) = ( 0.1957600 0.1957600 0.5000000), wk = 0.0021008 k( 214) = ( 0.1868619 0.1868619 0.5000000), wk = 0.0021008 k( 215) = ( 0.1779637 0.1779637 0.5000000), wk = 0.0021008 k( 216) = ( 0.1690655 0.1690655 0.5000000), wk = 0.0021008 k( 217) = ( 0.1601673 0.1601673 0.5000000), wk = 0.0021008 k( 218) = ( 0.1512691 0.1512691 0.5000000), wk = 0.0021008 k( 219) = ( 0.1423709 0.1423709 0.5000000), wk = 0.0021008 k( 220) = ( 0.1334728 0.1334728 0.5000000), wk = 0.0021008 k( 221) = ( 0.1245746 0.1245746 0.5000000), wk = 0.0021008 k( 222) = ( 0.1156764 0.1156764 0.5000000), wk = 0.0021008 k( 223) = ( 0.1067782 0.1067782 0.5000000), wk = 0.0021008 k( 224) = ( 0.0978800 0.0978800 0.5000000), wk = 0.0021008 k( 225) = ( 0.0889818 0.0889818 0.5000000), wk = 0.0021008 k( 226) = ( 0.0800837 0.0800837 0.5000000), wk = 0.0021008 k( 227) = ( 0.0711855 0.0711855 0.5000000), wk = 0.0021008 k( 228) = ( 0.0622873 0.0622873 0.5000000), wk = 0.0021008 k( 229) = ( 0.0533891 0.0533891 0.5000000), wk = 0.0021008 k( 230) = ( 0.0444909 0.0444909 0.5000000), wk = 0.0021008 k( 231) = ( 0.0355927 0.0355927 0.5000000), wk = 0.0021008 k( 232) = ( 0.0266946 0.0266946 0.5000000), wk = 0.0021008 k( 233) = ( 0.0177964 0.0177964 0.5000000), wk = 0.0021008 k( 234) = ( 0.0088982 0.0088982 0.5000000), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267857 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0446429 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0625000 0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0803571 0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0982143 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1160714 0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1339286 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1517857 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1696429 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2053571 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2232143 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2410714 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2589286 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2767857 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3303571 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3482143 0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3660714 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3839286 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4017857 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4196429 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4553571 0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4732143 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4910714 0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 335) = ( -0.4982983 0.5017017 0.0000000), wk = 0.0021008 k( 336) = ( -0.4982983 0.5017017 0.0000000), wk = 0.0021008 k( 337) = ( -0.4982983 0.5017017 0.0125000), wk = 0.0021008 k( 338) = ( -0.4982983 0.5017017 0.0250000), wk = 0.0021008 k( 339) = ( -0.4982983 0.5017017 0.0375000), wk = 0.0021008 k( 340) = ( -0.4982983 0.5017017 0.0500000), wk = 0.0021008 k( 341) = ( -0.4982983 0.5017017 0.0625000), wk = 0.0021008 k( 342) = ( -0.4982983 0.5017017 0.0750000), wk = 0.0021008 k( 343) = ( -0.4982983 0.5017017 0.0875000), wk = 0.0021008 k( 344) = ( -0.4982983 0.5017017 0.1000000), wk = 0.0021008 k( 345) = ( -0.4982983 0.5017017 0.1125000), wk = 0.0021008 k( 346) = ( -0.4982983 0.5017017 0.1250000), wk = 0.0021008 k( 347) = ( -0.4982983 0.5017017 0.1375000), wk = 0.0021008 k( 348) = ( -0.4982983 0.5017017 0.1500000), wk = 0.0021008 k( 349) = ( -0.4982983 0.5017017 0.1625000), wk = 0.0021008 k( 350) = ( -0.4982983 0.5017017 0.1750000), wk = 0.0021008 k( 351) = ( -0.4982983 0.5017017 0.1875000), wk = 0.0021008 k( 352) = ( -0.4982983 0.5017017 0.2000000), wk = 0.0021008 k( 353) = ( -0.4982983 0.5017017 0.2125000), wk = 0.0021008 k( 354) = ( -0.4982983 0.5017017 0.2250000), wk = 0.0021008 k( 355) = ( -0.4982983 0.5017017 0.2375000), wk = 0.0021008 k( 356) = ( -0.4982983 0.5017017 0.2500000), wk = 0.0021008 k( 357) = ( -0.4982983 0.5017017 0.2625000), wk = 0.0021008 k( 358) = ( -0.4982983 0.5017017 0.2750000), wk = 0.0021008 k( 359) = ( -0.4982983 0.5017017 0.2875000), wk = 0.0021008 k( 360) = ( -0.4982983 0.5017017 0.3000000), wk = 0.0021008 k( 361) = ( -0.4982983 0.5017017 0.3125000), wk = 0.0021008 k( 362) = ( -0.4982983 0.5017017 0.3250000), wk = 0.0021008 k( 363) = ( -0.4982983 0.5017017 0.3375000), wk = 0.0021008 k( 364) = ( -0.4982983 0.5017017 0.3500000), wk = 0.0021008 k( 365) = ( -0.4982983 0.5017017 0.3625000), wk = 0.0021008 k( 366) = ( -0.4982983 0.5017017 0.3750000), wk = 0.0021008 k( 367) = ( -0.4982983 0.5017017 0.3875000), wk = 0.0021008 k( 368) = ( -0.4982983 0.5017017 0.4000000), wk = 0.0021008 k( 369) = ( -0.4982983 0.5017017 0.4125000), wk = 0.0021008 k( 370) = ( -0.4982983 0.5017017 0.4250000), wk = 0.0021008 k( 371) = ( -0.4982983 0.5017017 0.4375000), wk = 0.0021008 k( 372) = ( -0.4982983 0.5017017 0.4500000), wk = 0.0021008 k( 373) = ( -0.4982983 0.5017017 0.4625000), wk = 0.0021008 k( 374) = ( -0.4982983 0.5017017 0.4750000), wk = 0.0021008 k( 375) = ( -0.4982983 0.5017017 0.4875000), wk = 0.0021008 k( 376) = ( -0.4982983 0.5017017 0.5000000), wk = 0.0021008 k( 377) = ( -0.4982983 0.5017017 0.5000000), wk = 0.0021008 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 379) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 380) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0021008 k( 381) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0021008 k( 382) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0021008 k( 383) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0021008 k( 384) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0021008 k( 385) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0021008 k( 386) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0021008 k( 387) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021008 k( 388) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0021008 k( 389) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021008 k( 390) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0021008 k( 391) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0021008 k( 392) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0021008 k( 393) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0021008 k( 394) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0021008 k( 395) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021008 k( 396) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0021008 k( 397) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0021008 k( 398) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0021008 k( 399) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021008 k( 400) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0021008 k( 401) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0021008 k( 402) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0021008 k( 403) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021008 k( 404) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0021008 k( 405) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0021008 k( 406) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0021008 k( 407) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0021008 k( 408) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0021008 k( 409) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021008 k( 410) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0021008 k( 411) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021008 k( 412) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0021008 k( 413) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0021008 k( 414) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0021008 k( 415) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0021008 k( 416) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0021008 k( 417) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0021008 k( 418) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0021008 k( 419) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0021008 k( 424) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0021008 k( 425) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0021008 k( 426) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0021008 k( 427) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0021008 k( 428) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0021008 k( 429) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0021008 k( 430) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0021008 k( 431) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0021008 k( 432) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0021008 k( 433) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0021008 k( 434) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021008 k( 435) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0021008 k( 436) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0021008 k( 437) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0021008 k( 438) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0021008 k( 439) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0021008 k( 440) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0021008 k( 441) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0021008 k( 442) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0021008 k( 443) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0021008 k( 444) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0021008 k( 445) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0021008 k( 446) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0021008 k( 447) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0021008 k( 448) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021008 k( 449) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0021008 k( 450) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0021008 k( 451) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0021008 k( 452) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0021008 k( 453) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0021008 k( 454) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0021008 k( 455) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0021008 k( 456) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0021008 k( 457) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0021008 k( 458) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0021008 k( 459) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0021008 k( 460) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0021008 k( 461) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0021008 k( 462) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021008 k( 463) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0021008 k( 464) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0021008 k( 465) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0021008 k( 466) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0021008 k( 467) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0021008 k( 468) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0021008 k( 469) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0021008 k( 470) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0021008 k( 471) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0021008 k( 472) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0021008 k( 473) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0021008 k( 474) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0021008 k( 475) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0021008 k( 476) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 101061 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21995 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 122, 48) NL pseudopotentials 0.10 Mb ( 61, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2111) G-vector shells 0.01 Mb ( 1078) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 122, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.3 secs Computing kpt #: 2 total cpu time spent up to now is 49.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.5 secs Computing kpt #: 5 total cpu time spent up to now is 58.7 secs Computing kpt #: 6 total cpu time spent up to now is 61.3 secs Computing kpt #: 7 total cpu time spent up to now is 63.0 secs Computing kpt #: 8 total cpu time spent up to now is 65.1 secs Computing kpt #: 9 total cpu time spent up to now is 69.7 secs Computing kpt #: 10 total cpu time spent up to now is 71.9 secs Computing kpt #: 11 total cpu time spent up to now is 73.9 secs Computing kpt #: 12 total cpu time spent up to now is 75.8 secs Computing kpt #: 13 total cpu time spent up to now is 77.5 secs Computing kpt #: 14 total cpu time spent up to now is 79.1 secs Computing kpt #: 15 total cpu time spent up to now is 81.5 secs Computing kpt #: 16 total cpu time spent up to now is 83.6 secs Computing kpt #: 17 total cpu time spent up to now is 85.8 secs Computing kpt #: 18 total cpu time spent up to now is 87.3 secs Computing kpt #: 19 total cpu time spent up to now is 90.3 secs Computing kpt #: 20 total cpu time spent up to now is 93.6 secs Computing kpt #: 21 total cpu time spent up to now is 94.9 secs Computing kpt #: 22 total cpu time spent up to now is 96.1 secs Computing kpt #: 23 total cpu time spent up to now is 97.4 secs Computing kpt #: 24 total cpu time spent up to now is 98.6 secs Computing kpt #: 25 total cpu time spent up to now is 100.0 secs Computing kpt #: 26 total cpu time spent up to now is 101.2 secs Computing kpt #: 27 total cpu time spent up to now is 102.5 secs Computing kpt #: 28 total cpu time spent up to now is 103.7 secs Computing kpt #: 29 total cpu time spent up to now is 104.9 secs Computing kpt #: 30 total cpu time spent up to now is 106.2 secs Computing kpt #: 31 total cpu time spent up to now is 107.4 secs Computing kpt #: 32 total cpu time spent up to now is 108.6 secs Computing kpt #: 33 total cpu time spent up to now is 109.8 secs Computing kpt #: 34 total cpu time spent up to now is 111.4 secs Computing kpt #: 35 total cpu time spent up to now is 114.4 secs Computing kpt #: 36 total cpu time spent up to now is 116.3 secs Computing kpt #: 37 total cpu time spent up to now is 117.5 secs Computing kpt #: 38 total cpu time spent up to now is 118.9 secs Computing kpt #: 39 total cpu time spent up to now is 120.2 secs Computing kpt #: 40 total cpu time spent up to now is 121.4 secs Computing kpt #: 41 total cpu time spent up to now is 122.6 secs Computing kpt #: 42 total cpu time spent up to now is 123.9 secs Computing kpt #: 43 total cpu time spent up to now is 125.3 secs Computing kpt #: 44 total cpu time spent up to now is 126.6 secs Computing kpt #: 45 total cpu time spent up to now is 128.0 secs Computing kpt #: 46 total cpu time spent up to now is 129.3 secs Computing kpt #: 47 total cpu time spent up to now is 130.7 secs Computing kpt #: 48 total cpu time spent up to now is 131.7 secs Computing kpt #: 49 total cpu time spent up to now is 133.0 secs Computing kpt #: 50 total cpu time spent up to now is 135.7 secs Computing kpt #: 51 total cpu time spent up to now is 136.9 secs Computing kpt #: 52 total cpu time spent up to now is 138.0 secs Computing kpt #: 53 total cpu time spent up to now is 139.0 secs Computing kpt #: 54 total cpu time spent up to now is 140.0 secs Computing kpt #: 55 total cpu time spent up to now is 141.0 secs Computing kpt #: 56 total cpu time spent up to now is 142.1 secs Computing kpt #: 57 total cpu time spent up to now is 143.1 secs Computing kpt #: 58 total cpu time spent up to now is 144.2 secs Computing kpt #: 59 total cpu time spent up to now is 145.3 secs Computing kpt #: 60 total cpu time spent up to now is 146.5 secs Computing kpt #: 61 total cpu time spent up to now is 147.7 secs Computing kpt #: 62 total cpu time spent up to now is 148.9 secs Computing kpt #: 63 total cpu time spent up to now is 150.0 secs Computing kpt #: 64 total cpu time spent up to now is 151.1 secs Computing kpt #: 65 total cpu time spent up to now is 152.3 secs Computing kpt #: 66 total cpu time spent up to now is 153.6 secs Computing kpt #: 67 total cpu time spent up to now is 154.9 secs Computing kpt #: 68 total cpu time spent up to now is 156.2 secs Computing kpt #: 69 total cpu time spent up to now is 157.3 secs Computing kpt #: 70 total cpu time spent up to now is 158.5 secs Computing kpt #: 71 total cpu time spent up to now is 159.9 secs Computing kpt #: 72 total cpu time spent up to now is 161.4 secs Computing kpt #: 73 total cpu time spent up to now is 162.7 secs Computing kpt #: 74 total cpu time spent up to now is 164.0 secs Computing kpt #: 75 total cpu time spent up to now is 165.3 secs Computing kpt #: 76 total cpu time spent up to now is 166.5 secs Computing kpt #: 77 total cpu time spent up to now is 167.6 secs Computing kpt #: 78 total cpu time spent up to now is 168.8 secs Computing kpt #: 79 total cpu time spent up to now is 170.0 secs Computing kpt #: 80 total cpu time spent up to now is 171.2 secs Computing kpt #: 81 total cpu time spent up to now is 172.4 secs Computing kpt #: 82 total cpu time spent up to now is 173.6 secs Computing kpt #: 83 total cpu time spent up to now is 174.8 secs Computing kpt #: 84 total cpu time spent up to now is 176.0 secs Computing kpt #: 85 total cpu time spent up to now is 177.2 secs Computing kpt #: 86 total cpu time spent up to now is 178.5 secs Computing kpt #: 87 total cpu time spent up to now is 179.8 secs Computing kpt #: 88 total cpu time spent up to now is 181.0 secs Computing kpt #: 89 total cpu time spent up to now is 182.2 secs Computing kpt #: 90 total cpu time spent up to now is 183.4 secs Computing kpt #: 91 total cpu time spent up to now is 184.7 secs Computing kpt #: 92 total cpu time spent up to now is 186.1 secs Computing kpt #: 93 total cpu time spent up to now is 187.3 secs Computing kpt #: 94 total cpu time spent up to now is 188.5 secs Computing kpt #: 95 total cpu time spent up to now is 189.8 secs Computing kpt #: 96 total cpu time spent up to now is 191.1 secs Computing kpt #: 97 total cpu time spent up to now is 192.5 secs Computing kpt #: 98 total cpu time spent up to now is 193.7 secs Computing kpt #: 99 total cpu time spent up to now is 194.9 secs Computing kpt #: 100 total cpu time spent up to now is 196.1 secs Computing kpt #: 101 total cpu time spent up to now is 197.5 secs Computing kpt #: 102 total cpu time spent up to now is 198.8 secs Computing kpt #: 103 total cpu time spent up to now is 200.0 secs Computing kpt #: 104 total cpu time spent up to now is 201.2 secs Computing kpt #: 105 total cpu time spent up to now is 202.5 secs Computing kpt #: 106 total cpu time spent up to now is 203.7 secs Computing kpt #: 107 total cpu time spent up to now is 204.9 secs Computing kpt #: 108 total cpu time spent up to now is 206.1 secs Computing kpt #: 109 total cpu time spent up to now is 207.4 secs Computing kpt #: 110 total cpu time spent up to now is 208.6 secs Computing kpt #: 111 total cpu time spent up to now is 209.8 secs Computing kpt #: 112 total cpu time spent up to now is 211.1 secs Computing kpt #: 113 total cpu time spent up to now is 212.3 secs Computing kpt #: 114 total cpu time spent up to now is 213.5 secs Computing kpt #: 115 total cpu time spent up to now is 215.0 secs Computing kpt #: 116 total cpu time spent up to now is 216.2 secs Computing kpt #: 117 total cpu time spent up to now is 217.4 secs Computing kpt #: 118 total cpu time spent up to now is 218.6 secs Computing kpt #: 119 total cpu time spent up to now is 219.8 secs Computing kpt #: 120 total cpu time spent up to now is 221.1 secs Computing kpt #: 121 total cpu time spent up to now is 222.3 secs Computing kpt #: 122 total cpu time spent up to now is 223.5 secs Computing kpt #: 123 total cpu time spent up to now is 224.6 secs Computing kpt #: 124 total cpu time spent up to now is 225.9 secs Computing kpt #: 125 total cpu time spent up to now is 227.2 secs Computing kpt #: 126 total cpu time spent up to now is 228.4 secs Computing kpt #: 127 total cpu time spent up to now is 229.5 secs Computing kpt #: 128 total cpu time spent up to now is 230.6 secs Computing kpt #: 129 total cpu time spent up to now is 231.8 secs Computing kpt #: 130 total cpu time spent up to now is 232.9 secs Computing kpt #: 131 total cpu time spent up to now is 234.1 secs Computing kpt #: 132 total cpu time spent up to now is 235.1 secs Computing kpt #: 133 total cpu time spent up to now is 236.1 secs Computing kpt #: 134 total cpu time spent up to now is 237.1 secs Computing kpt #: 135 total cpu time spent up to now is 238.2 secs Computing kpt #: 136 total cpu time spent up to now is 239.2 secs Computing kpt #: 137 total cpu time spent up to now is 240.3 secs Computing kpt #: 138 total cpu time spent up to now is 241.3 secs Computing kpt #: 139 total cpu time spent up to now is 242.4 secs Computing kpt #: 140 total cpu time spent up to now is 243.5 secs Computing kpt #: 141 total cpu time spent up to now is 244.5 secs Computing kpt #: 142 total cpu time spent up to now is 245.6 secs Computing kpt #: 143 total cpu time spent up to now is 246.8 secs Computing kpt #: 144 total cpu time spent up to now is 247.9 secs Computing kpt #: 145 total cpu time spent up to now is 248.9 secs Computing kpt #: 146 total cpu time spent up to now is 250.0 secs Computing kpt #: 147 total cpu time spent up to now is 251.3 secs Computing kpt #: 148 total cpu time spent up to now is 252.4 secs Computing kpt #: 149 total cpu time spent up to now is 253.8 secs Computing kpt #: 150 total cpu time spent up to now is 255.1 secs Computing kpt #: 151 total cpu time spent up to now is 256.2 secs Computing kpt #: 152 total cpu time spent up to now is 257.5 secs Computing kpt #: 153 total cpu time spent up to now is 258.8 secs Computing kpt #: 154 total cpu time spent up to now is 260.3 secs Computing kpt #: 155 total cpu time spent up to now is 261.7 secs Computing kpt #: 156 total cpu time spent up to now is 263.2 secs Computing kpt #: 157 total cpu time spent up to now is 264.8 secs Computing kpt #: 158 total cpu time spent up to now is 266.3 secs Computing kpt #: 159 total cpu time spent up to now is 267.9 secs Computing kpt #: 160 total cpu time spent up to now is 269.4 secs Computing kpt #: 161 total cpu time spent up to now is 271.1 secs Computing kpt #: 162 total cpu time spent up to now is 272.9 secs Computing kpt #: 163 total cpu time spent up to now is 274.8 secs Computing kpt #: 164 total cpu time spent up to now is 276.7 secs Computing kpt #: 165 total cpu time spent up to now is 278.7 secs Computing kpt #: 166 total cpu time spent up to now is 280.8 secs Computing kpt #: 167 total cpu time spent up to now is 282.7 secs Computing kpt #: 168 total cpu time spent up to now is 284.7 secs Computing kpt #: 169 total cpu time spent up to now is 286.7 secs Computing kpt #: 170 total cpu time spent up to now is 288.9 secs Computing kpt #: 171 total cpu time spent up to now is 291.2 secs Computing kpt #: 172 total cpu time spent up to now is 293.2 secs Computing kpt #: 173 total cpu time spent up to now is 295.9 secs Computing kpt #: 174 total cpu time spent up to now is 298.2 secs Computing kpt #: 175 total cpu time spent up to now is 300.6 secs Computing kpt #: 176 total cpu time spent up to now is 303.0 secs Computing kpt #: 177 total cpu time spent up to now is 306.2 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.3 secs Computing kpt #: 179 total cpu time spent up to now is 311.8 secs Computing kpt #: 180 total cpu time spent up to now is 314.7 secs Computing kpt #: 181 total cpu time spent up to now is 317.2 secs Computing kpt #: 182 total cpu time spent up to now is 319.6 secs Computing kpt #: 183 total cpu time spent up to now is 322.1 secs Computing kpt #: 184 total cpu time spent up to now is 324.5 secs Computing kpt #: 185 total cpu time spent up to now is 326.9 secs Computing kpt #: 186 total cpu time spent up to now is 329.4 secs Computing kpt #: 187 total cpu time spent up to now is 331.6 secs Computing kpt #: 188 total cpu time spent up to now is 334.0 secs Computing kpt #: 189 total cpu time spent up to now is 336.3 secs Computing kpt #: 190 total cpu time spent up to now is 338.3 secs Computing kpt #: 191 total cpu time spent up to now is 340.4 secs Computing kpt #: 192 total cpu time spent up to now is 342.5 secs Computing kpt #: 193 total cpu time spent up to now is 344.6 secs Computing kpt #: 194 total cpu time spent up to now is 346.9 secs Computing kpt #: 195 total cpu time spent up to now is 349.0 secs Computing kpt #: 196 total cpu time spent up to now is 351.2 secs Computing kpt #: 197 total cpu time spent up to now is 353.2 secs Computing kpt #: 198 total cpu time spent up to now is 355.1 secs Computing kpt #: 199 total cpu time spent up to now is 357.0 secs Computing kpt #: 200 total cpu time spent up to now is 358.9 secs Computing kpt #: 201 total cpu time spent up to now is 360.5 secs Computing kpt #: 202 total cpu time spent up to now is 362.3 secs Computing kpt #: 203 total cpu time spent up to now is 363.9 secs Computing kpt #: 204 total cpu time spent up to now is 365.5 secs Computing kpt #: 205 total cpu time spent up to now is 367.2 secs Computing kpt #: 206 total cpu time spent up to now is 368.5 secs Computing kpt #: 207 total cpu time spent up to now is 370.0 secs Computing kpt #: 208 total cpu time spent up to now is 371.5 secs Computing kpt #: 209 total cpu time spent up to now is 373.1 secs Computing kpt #: 210 total cpu time spent up to now is 374.4 secs Computing kpt #: 211 total cpu time spent up to now is 375.8 secs Computing kpt #: 212 total cpu time spent up to now is 377.1 secs Computing kpt #: 213 total cpu time spent up to now is 378.6 secs Computing kpt #: 214 total cpu time spent up to now is 380.2 secs Computing kpt #: 215 total cpu time spent up to now is 382.1 secs Computing kpt #: 216 total cpu time spent up to now is 384.1 secs Computing kpt #: 217 total cpu time spent up to now is 386.0 secs Computing kpt #: 218 total cpu time spent up to now is 387.5 secs Computing kpt #: 219 total cpu time spent up to now is 388.7 secs Computing kpt #: 220 total cpu time spent up to now is 389.9 secs Computing kpt #: 221 total cpu time spent up to now is 391.2 secs Computing kpt #: 222 total cpu time spent up to now is 392.4 secs Computing kpt #: 223 total cpu time spent up to now is 393.6 secs Computing kpt #: 224 total cpu time spent up to now is 395.0 secs Computing kpt #: 225 total cpu time spent up to now is 396.2 secs Computing kpt #: 226 total cpu time spent up to now is 397.4 secs Computing kpt #: 227 total cpu time spent up to now is 398.6 secs Computing kpt #: 228 total cpu time spent up to now is 400.1 secs Computing kpt #: 229 total cpu time spent up to now is 401.3 secs Computing kpt #: 230 total cpu time spent up to now is 402.5 secs Computing kpt #: 231 total cpu time spent up to now is 403.8 secs Computing kpt #: 232 total cpu time spent up to now is 405.0 secs Computing kpt #: 233 total cpu time spent up to now is 406.4 secs Computing kpt #: 234 total cpu time spent up to now is 407.5 secs Computing kpt #: 235 total cpu time spent up to now is 408.8 secs Computing kpt #: 236 total cpu time spent up to now is 410.1 secs Computing kpt #: 237 total cpu time spent up to now is 411.3 secs Computing kpt #: 238 total cpu time spent up to now is 412.6 secs Computing kpt #: 239 total cpu time spent up to now is 413.8 secs Computing kpt #: 240 total cpu time spent up to now is 415.0 secs Computing kpt #: 241 total cpu time spent up to now is 416.3 secs Computing kpt #: 242 total cpu time spent up to now is 417.5 secs Computing kpt #: 243 total cpu time spent up to now is 418.7 secs Computing kpt #: 244 total cpu time spent up to now is 420.0 secs Computing kpt #: 245 total cpu time spent up to now is 421.3 secs Computing kpt #: 246 total cpu time spent up to now is 422.5 secs Computing kpt #: 247 total cpu time spent up to now is 423.7 secs Computing kpt #: 248 total cpu time spent up to now is 425.0 secs Computing kpt #: 249 total cpu time spent up to now is 426.2 secs Computing kpt #: 250 total cpu time spent up to now is 427.4 secs Computing kpt #: 251 total cpu time spent up to now is 428.6 secs Computing kpt #: 252 total cpu time spent up to now is 429.9 secs Computing kpt #: 253 total cpu time spent up to now is 431.1 secs Computing kpt #: 254 total cpu time spent up to now is 432.3 secs Computing kpt #: 255 total cpu time spent up to now is 433.5 secs Computing kpt #: 256 total cpu time spent up to now is 434.8 secs Computing kpt #: 257 total cpu time spent up to now is 436.4 secs Computing kpt #: 258 total cpu time spent up to now is 437.6 secs Computing kpt #: 259 total cpu time spent up to now is 439.0 secs Computing kpt #: 260 total cpu time spent up to now is 440.3 secs Computing kpt #: 261 total cpu time spent up to now is 441.7 secs Computing kpt #: 262 total cpu time spent up to now is 443.0 secs Computing kpt #: 263 total cpu time spent up to now is 444.3 secs Computing kpt #: 264 total cpu time spent up to now is 445.7 secs Computing kpt #: 265 total cpu time spent up to now is 447.1 secs Computing kpt #: 266 total cpu time spent up to now is 448.9 secs Computing kpt #: 267 total cpu time spent up to now is 450.5 secs Computing kpt #: 268 total cpu time spent up to now is 452.3 secs Computing kpt #: 269 total cpu time spent up to now is 454.5 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.1 secs Computing kpt #: 272 total cpu time spent up to now is 463.8 secs Computing kpt #: 273 total cpu time spent up to now is 466.6 secs Computing kpt #: 274 total cpu time spent up to now is 468.6 secs Computing kpt #: 275 total cpu time spent up to now is 470.6 secs Computing kpt #: 276 total cpu time spent up to now is 473.0 secs Computing kpt #: 277 total cpu time spent up to now is 475.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.9 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.1 secs Computing kpt #: 280 total cpu time spent up to now is 484.1 secs Computing kpt #: 281 total cpu time spent up to now is 485.9 secs Computing kpt #: 282 total cpu time spent up to now is 488.9 secs Computing kpt #: 283 total cpu time spent up to now is 490.8 secs Computing kpt #: 284 total cpu time spent up to now is 493.4 secs Computing kpt #: 285 total cpu time spent up to now is 495.2 secs Computing kpt #: 286 total cpu time spent up to now is 496.9 secs Computing kpt #: 287 total cpu time spent up to now is 499.4 secs Computing kpt #: 288 total cpu time spent up to now is 501.6 secs Computing kpt #: 289 total cpu time spent up to now is 503.3 secs Computing kpt #: 290 total cpu time spent up to now is 505.0 secs Computing kpt #: 291 total cpu time spent up to now is 506.7 secs Computing kpt #: 292 total cpu time spent up to now is 508.3 secs Computing kpt #: 293 total cpu time spent up to now is 509.6 secs Computing kpt #: 294 total cpu time spent up to now is 510.9 secs Computing kpt #: 295 total cpu time spent up to now is 512.1 secs Computing kpt #: 296 total cpu time spent up to now is 513.4 secs Computing kpt #: 297 total cpu time spent up to now is 514.6 secs Computing kpt #: 298 total cpu time spent up to now is 516.0 secs Computing kpt #: 299 total cpu time spent up to now is 517.3 secs Computing kpt #: 300 total cpu time spent up to now is 518.5 secs Computing kpt #: 301 total cpu time spent up to now is 519.8 secs Computing kpt #: 302 total cpu time spent up to now is 521.4 secs Computing kpt #: 303 total cpu time spent up to now is 522.8 secs Computing kpt #: 304 total cpu time spent up to now is 524.1 secs Computing kpt #: 305 total cpu time spent up to now is 525.5 secs Computing kpt #: 306 total cpu time spent up to now is 527.0 secs Computing kpt #: 307 total cpu time spent up to now is 528.1 secs Computing kpt #: 308 total cpu time spent up to now is 529.3 secs Computing kpt #: 309 total cpu time spent up to now is 530.8 secs Computing kpt #: 310 total cpu time spent up to now is 532.0 secs Computing kpt #: 311 total cpu time spent up to now is 533.3 secs Computing kpt #: 312 total cpu time spent up to now is 534.5 secs Computing kpt #: 313 total cpu time spent up to now is 535.6 secs Computing kpt #: 314 total cpu time spent up to now is 536.8 secs Computing kpt #: 315 total cpu time spent up to now is 538.0 secs Computing kpt #: 316 total cpu time spent up to now is 539.2 secs Computing kpt #: 317 total cpu time spent up to now is 540.3 secs Computing kpt #: 318 total cpu time spent up to now is 541.5 secs Computing kpt #: 319 total cpu time spent up to now is 542.8 secs Computing kpt #: 320 total cpu time spent up to now is 544.0 secs Computing kpt #: 321 total cpu time spent up to now is 545.2 secs Computing kpt #: 322 total cpu time spent up to now is 546.3 secs Computing kpt #: 323 total cpu time spent up to now is 547.3 secs Computing kpt #: 324 total cpu time spent up to now is 548.5 secs Computing kpt #: 325 total cpu time spent up to now is 549.6 secs Computing kpt #: 326 total cpu time spent up to now is 550.6 secs Computing kpt #: 327 total cpu time spent up to now is 551.8 secs Computing kpt #: 328 total cpu time spent up to now is 552.9 secs Computing kpt #: 329 total cpu time spent up to now is 553.9 secs Computing kpt #: 330 total cpu time spent up to now is 555.1 secs Computing kpt #: 331 total cpu time spent up to now is 556.2 secs Computing kpt #: 332 total cpu time spent up to now is 557.3 secs Computing kpt #: 333 total cpu time spent up to now is 558.3 secs Computing kpt #: 334 total cpu time spent up to now is 559.4 secs Computing kpt #: 335 total cpu time spent up to now is 560.3 secs Computing kpt #: 336 total cpu time spent up to now is 561.4 secs Computing kpt #: 337 total cpu time spent up to now is 562.4 secs Computing kpt #: 338 total cpu time spent up to now is 563.5 secs Computing kpt #: 339 total cpu time spent up to now is 564.6 secs Computing kpt #: 340 total cpu time spent up to now is 565.6 secs Computing kpt #: 341 total cpu time spent up to now is 566.7 secs Computing kpt #: 342 total cpu time spent up to now is 568.1 secs Computing kpt #: 343 total cpu time spent up to now is 569.2 secs Computing kpt #: 344 total cpu time spent up to now is 570.6 secs Computing kpt #: 345 total cpu time spent up to now is 571.8 secs Computing kpt #: 346 total cpu time spent up to now is 573.0 secs Computing kpt #: 347 total cpu time spent up to now is 574.4 secs Computing kpt #: 348 total cpu time spent up to now is 575.9 secs Computing kpt #: 349 total cpu time spent up to now is 577.5 secs Computing kpt #: 350 total cpu time spent up to now is 579.0 secs Computing kpt #: 351 total cpu time spent up to now is 580.5 secs Computing kpt #: 352 total cpu time spent up to now is 582.1 secs Computing kpt #: 353 total cpu time spent up to now is 584.0 secs Computing kpt #: 354 total cpu time spent up to now is 585.6 secs Computing kpt #: 355 total cpu time spent up to now is 587.3 secs Computing kpt #: 356 total cpu time spent up to now is 589.1 secs Computing kpt #: 357 total cpu time spent up to now is 590.9 secs Computing kpt #: 358 total cpu time spent up to now is 592.7 secs Computing kpt #: 359 total cpu time spent up to now is 594.6 secs Computing kpt #: 360 total cpu time spent up to now is 596.6 secs Computing kpt #: 361 total cpu time spent up to now is 598.6 secs Computing kpt #: 362 total cpu time spent up to now is 600.9 secs Computing kpt #: 363 total cpu time spent up to now is 603.4 secs Computing kpt #: 364 total cpu time spent up to now is 606.1 secs Computing kpt #: 365 total cpu time spent up to now is 608.8 secs Computing kpt #: 366 total cpu time spent up to now is 611.8 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 614.9 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.1 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.3 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.4 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.6 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.8 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.0 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.2 secs Computing kpt #: 375 total cpu time spent up to now is 640.1 secs Computing kpt #: 376 total cpu time spent up to now is 642.8 secs Computing kpt #: 377 total cpu time spent up to now is 645.7 secs Computing kpt #: 378 total cpu time spent up to now is 648.3 secs Computing kpt #: 379 total cpu time spent up to now is 651.0 secs Computing kpt #: 380 total cpu time spent up to now is 653.8 secs Computing kpt #: 381 total cpu time spent up to now is 656.7 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.9 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.1 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.2 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.5 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.6 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.8 secs Computing kpt #: 388 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 679.0 secs Computing kpt #: 389 total cpu time spent up to now is 683.1 secs Computing kpt #: 390 total cpu time spent up to now is 686.3 secs Computing kpt #: 391 total cpu time spent up to now is 688.5 secs Computing kpt #: 392 total cpu time spent up to now is 690.6 secs Computing kpt #: 393 total cpu time spent up to now is 692.7 secs Computing kpt #: 394 total cpu time spent up to now is 694.9 secs Computing kpt #: 395 total cpu time spent up to now is 696.8 secs Computing kpt #: 396 total cpu time spent up to now is 698.7 secs Computing kpt #: 397 total cpu time spent up to now is 700.6 secs Computing kpt #: 398 total cpu time spent up to now is 702.5 secs Computing kpt #: 399 total cpu time spent up to now is 704.2 secs Computing kpt #: 400 total cpu time spent up to now is 706.0 secs Computing kpt #: 401 total cpu time spent up to now is 707.8 secs Computing kpt #: 402 total cpu time spent up to now is 709.5 secs Computing kpt #: 403 total cpu time spent up to now is 711.0 secs Computing kpt #: 404 total cpu time spent up to now is 712.5 secs Computing kpt #: 405 total cpu time spent up to now is 714.0 secs Computing kpt #: 406 total cpu time spent up to now is 715.4 secs Computing kpt #: 407 total cpu time spent up to now is 716.4 secs Computing kpt #: 408 total cpu time spent up to now is 717.7 secs Computing kpt #: 409 total cpu time spent up to now is 719.1 secs Computing kpt #: 410 total cpu time spent up to now is 720.2 secs Computing kpt #: 411 total cpu time spent up to now is 721.3 secs Computing kpt #: 412 total cpu time spent up to now is 722.5 secs Computing kpt #: 413 total cpu time spent up to now is 723.7 secs Computing kpt #: 414 total cpu time spent up to now is 724.9 secs Computing kpt #: 415 total cpu time spent up to now is 726.2 secs Computing kpt #: 416 total cpu time spent up to now is 727.2 secs Computing kpt #: 417 total cpu time spent up to now is 728.3 secs Computing kpt #: 418 total cpu time spent up to now is 729.7 secs Computing kpt #: 419 total cpu time spent up to now is 730.8 secs Computing kpt #: 420 total cpu time spent up to now is 732.0 secs Computing kpt #: 421 total cpu time spent up to now is 733.1 secs Computing kpt #: 422 total cpu time spent up to now is 734.3 secs Computing kpt #: 423 total cpu time spent up to now is 735.6 secs Computing kpt #: 424 total cpu time spent up to now is 737.0 secs Computing kpt #: 425 total cpu time spent up to now is 738.2 secs Computing kpt #: 426 total cpu time spent up to now is 739.3 secs Computing kpt #: 427 total cpu time spent up to now is 740.7 secs Computing kpt #: 428 total cpu time spent up to now is 742.1 secs Computing kpt #: 429 total cpu time spent up to now is 743.2 secs Computing kpt #: 430 total cpu time spent up to now is 744.4 secs Computing kpt #: 431 total cpu time spent up to now is 745.6 secs Computing kpt #: 432 total cpu time spent up to now is 746.7 secs Computing kpt #: 433 total cpu time spent up to now is 747.9 secs Computing kpt #: 434 total cpu time spent up to now is 749.4 secs Computing kpt #: 435 total cpu time spent up to now is 750.6 secs Computing kpt #: 436 total cpu time spent up to now is 751.9 secs Computing kpt #: 437 total cpu time spent up to now is 753.2 secs Computing kpt #: 438 total cpu time spent up to now is 754.6 secs Computing kpt #: 439 total cpu time spent up to now is 755.8 secs Computing kpt #: 440 total cpu time spent up to now is 756.9 secs Computing kpt #: 441 total cpu time spent up to now is 758.2 secs Computing kpt #: 442 total cpu time spent up to now is 759.4 secs Computing kpt #: 443 total cpu time spent up to now is 760.6 secs Computing kpt #: 444 total cpu time spent up to now is 761.8 secs Computing kpt #: 445 total cpu time spent up to now is 763.0 secs Computing kpt #: 446 total cpu time spent up to now is 764.2 secs Computing kpt #: 447 total cpu time spent up to now is 765.5 secs Computing kpt #: 448 total cpu time spent up to now is 766.9 secs Computing kpt #: 449 total cpu time spent up to now is 768.1 secs Computing kpt #: 450 total cpu time spent up to now is 769.4 secs Computing kpt #: 451 total cpu time spent up to now is 770.9 secs Computing kpt #: 452 total cpu time spent up to now is 772.5 secs Computing kpt #: 453 total cpu time spent up to now is 774.0 secs Computing kpt #: 454 total cpu time spent up to now is 775.5 secs Computing kpt #: 455 total cpu time spent up to now is 777.1 secs Computing kpt #: 456 total cpu time spent up to now is 778.8 secs Computing kpt #: 457 total cpu time spent up to now is 780.4 secs Computing kpt #: 458 total cpu time spent up to now is 782.1 secs Computing kpt #: 459 total cpu time spent up to now is 784.1 secs Computing kpt #: 460 total cpu time spent up to now is 785.8 secs Computing kpt #: 461 total cpu time spent up to now is 787.8 secs Computing kpt #: 462 total cpu time spent up to now is 789.7 secs Computing kpt #: 463 total cpu time spent up to now is 791.6 secs Computing kpt #: 464 total cpu time spent up to now is 793.8 secs Computing kpt #: 465 total cpu time spent up to now is 795.9 secs Computing kpt #: 466 total cpu time spent up to now is 797.9 secs Computing kpt #: 467 total cpu time spent up to now is 800.0 secs Computing kpt #: 468 total cpu time spent up to now is 802.4 secs Computing kpt #: 469 total cpu time spent up to now is 804.7 secs Computing kpt #: 470 total cpu time spent up to now is 807.2 secs Computing kpt #: 471 total cpu time spent up to now is 809.6 secs Computing kpt #: 472 total cpu time spent up to now is 811.8 secs Computing kpt #: 473 total cpu time spent up to now is 814.3 secs Computing kpt #: 474 total cpu time spent up to now is 816.8 secs Computing kpt #: 475 total cpu time spent up to now is 819.6 secs Computing kpt #: 476 total cpu time spent up to now is 822.1 secs ethr = 2.50E-11, avg # of iterations = 42.6 total cpu time spent up to now is 822.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6957 -22.6957 -22.0576 -22.0576 -22.0204 -22.0204 -14.4097 -14.4097 -6.5060 -6.5060 -5.8790 -5.8790 -5.8015 -5.8015 -0.9486 -0.9486 0.9626 0.9626 0.9712 0.9712 7.9651 7.9651 8.1734 8.1734 8.1943 8.1943 9.0001 9.0001 9.0217 9.0217 9.2210 9.2210 9.8615 9.8615 9.9678 9.9678 10.0302 10.0302 12.5186 12.5186 12.6518 12.6518 12.7827 12.7827 14.6895 14.6895 k = 0.0089 0.0089-0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6958 -22.6957 -22.0577 -22.0575 -22.0205 -22.0204 -14.4096 -14.4096 -6.5061 -6.5059 -5.8792 -5.8786 -5.8016 -5.8014 -0.9485 -0.9480 0.9624 0.9639 0.9713 0.9718 7.9616 7.9663 8.1682 8.1748 8.1924 8.1945 8.9972 8.9992 9.0196 9.0207 9.2183 9.2203 9.8520 9.8681 9.9650 9.9661 10.0221 10.0379 12.5191 12.5205 12.6529 12.6543 12.7828 12.7848 14.6905 14.6908 k = 0.0178 0.0179-0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6959 -22.6958 -22.0578 -22.0576 -22.0205 -22.0204 -14.4090 -14.4090 -6.5063 -6.5057 -5.8794 -5.8782 -5.8017 -5.8013 -0.9476 -0.9467 0.9630 0.9660 0.9721 0.9731 7.9556 7.9651 8.1594 8.1725 8.1891 8.1931 8.9904 8.9944 9.0143 9.0164 9.2124 9.2165 9.8397 9.8720 9.9563 9.9612 10.0150 10.0442 12.5220 12.5246 12.6576 12.6603 12.7852 12.7893 14.6939 14.6945 k = 0.0267 0.0268-0.0000 ( 2765 PWs) bands (ev): -45.9856 -45.9856 -22.6960 -22.6958 -22.0580 -22.0577 -22.0205 -22.0204 -14.4082 -14.4081 -6.5064 -6.5055 -5.8796 -5.8778 -5.8018 -5.8011 -0.9461 -0.9447 0.9643 0.9684 0.9743 0.9754 7.9470 7.9614 8.1469 8.1663 8.1844 8.1900 8.9794 8.9856 9.0060 9.0088 9.2041 9.2101 9.8243 9.8732 9.9410 9.9539 10.0097 10.0483 12.5272 12.5310 12.6658 12.6697 12.7900 12.7961 14.6996 14.7004 k = 0.0356 0.0357-0.0000 ( 2765 PWs) bands (ev): -45.9856 -45.9856 -22.6962 -22.6959 -22.0584 -22.0579 -22.0206 -22.0205 -14.4069 -14.4069 -6.5065 -6.5054 -5.8797 -5.8773 -5.8018 -5.8010 -0.9438 -0.9420 0.9658 0.9702 0.9787 0.9790 7.9357 7.9552 8.1310 8.1565 8.1783 8.1852 8.9638 8.9724 8.9947 8.9980 9.1942 9.2019 9.8057 9.8718 9.9197 9.9446 10.0051 10.0499 12.5349 12.5397 12.6773 12.6823 12.7973 12.8052 14.7075 14.7086 k = 0.0445 0.0446-0.0000 ( 2761 PWs) bands (ev): -45.9856 -45.9856 -22.6965 -22.6961 -22.0588 -22.0582 -22.0207 -22.0205 -14.4053 -14.4053 -6.5067 -6.5052 -5.8797 -5.8767 -5.8017 -5.8007 -0.9409 -0.9387 0.9674 0.9717 0.9841 0.9849 7.9216 7.9461 8.1118 8.1433 8.1709 8.1790 8.9433 8.9543 8.9804 8.9840 9.1840 9.1931 9.7839 9.8678 9.8935 9.9335 10.0002 10.0488 12.5449 12.5507 12.6922 12.6982 12.8072 12.8169 14.7175 14.7189 k = 0.0534 0.0536-0.0000 ( 2765 PWs) bands (ev): -45.9856 -45.9856 -22.6968 -22.6964 -22.0593 -22.0586 -22.0209 -22.0207 -14.4034 -14.4033 -6.5068 -6.5051 -5.8797 -5.8761 -5.8016 -5.8004 -0.9374 -0.9347 0.9690 0.9732 0.9907 0.9925 7.9043 7.9338 8.0897 8.1269 8.1622 8.1712 8.9178 8.9312 8.9634 8.9669 9.1743 9.1843 9.7590 9.8599 9.8646 9.9208 9.9943 10.0450 12.5575 12.5641 12.7101 12.7170 12.8197 12.8310 14.7296 14.7312 k = 0.0623 0.0625-0.0000 ( 2769 PWs) bands (ev): -45.9856 -45.9856 -22.6971 -22.6966 -22.0599 -22.0591 -22.0210 -22.0208 -14.4012 -14.4011 -6.5069 -6.5049 -5.8796 -5.8755 -5.8013 -5.7999 -0.9333 -0.9302 0.9707 0.9748 0.9986 1.0014 7.8837 7.9179 8.0651 8.1076 8.1522 8.1620 8.8873 8.9029 8.9437 8.9470 9.1658 9.1762 9.7309 9.8284 9.8534 9.9065 9.9868 10.0384 12.5724 12.5797 12.7310 12.7386 12.8349 12.8478 14.7436 14.7453 k = 0.0712 0.0714-0.0000 ( 2763 PWs) bands (ev): -45.9855 -45.9855 -22.6975 -22.6969 -22.0605 -22.0596 -22.0211 -22.0209 -14.3986 -14.3985 -6.5070 -6.5048 -5.8794 -5.8748 -5.8009 -5.7993 -0.9286 -0.9252 0.9724 0.9766 1.0077 1.0114 7.8595 7.8979 8.0385 8.0854 8.1413 8.1517 8.8524 8.8698 8.9216 8.9246 9.1589 9.1693 9.7000 9.7912 9.8425 9.8906 9.9775 10.0292 12.5898 12.5977 12.7547 12.7628 12.8530 12.8673 14.7593 14.7612 k = 0.0801 0.0804-0.0000 ( 2759 PWs) bands (ev): -45.9855 -45.9855 -22.6979 -22.6973 -22.0612 -22.0602 -22.0213 -22.0210 -14.3957 -14.3956 -6.5070 -6.5046 -5.8792 -5.8740 -5.8003 -5.7986 -0.9236 -0.9197 0.9743 0.9786 1.0178 1.0224 7.8318 7.8735 8.0102 8.0605 8.1294 8.1402 8.8135 8.8325 8.8970 8.8999 9.1535 9.1636 9.6665 9.7511 9.8298 9.8733 9.9664 10.0174 12.6096 12.6179 12.7808 12.7894 12.8740 12.8895 14.7766 14.7786 k = 0.0890 0.0893-0.0000 ( 2763 PWs) bands (ev): -45.9855 -45.9855 -22.6984 -22.6977 -22.0620 -22.0609 -22.0215 -22.0212 -14.3926 -14.3924 -6.5070 -6.5044 -5.8789 -5.8733 -5.7995 -5.7976 -0.9181 -0.9138 0.9764 0.9808 1.0289 1.0342 7.8004 7.8442 7.9807 8.0328 8.1168 8.1278 8.7714 8.7918 8.8704 8.8731 9.1495 9.1592 9.6306 9.7085 9.8151 9.8545 9.9535 10.0034 12.6317 12.6404 12.8093 12.8182 12.8978 12.9143 14.7954 14.7975 k = 0.0979 0.0982-0.0000 ( 2755 PWs) bands (ev): -45.9855 -45.9855 -22.6988 -22.6981 -22.0628 -22.0616 -22.0217 -22.0213 -14.3891 -14.3890 -6.5070 -6.5041 -5.8785 -5.8724 -5.7985 -5.7964 -0.9122 -0.9076 0.9785 0.9831 1.0408 1.0467 7.7654 7.8100 7.9499 8.0025 8.1036 8.1147 8.7267 8.7483 8.8417 8.8443 9.1468 9.1560 9.5927 9.6638 9.7987 9.8343 9.9390 9.9875 12.6560 12.6650 12.8399 12.8491 12.9244 12.9418 14.8154 14.8175 k = 0.1068 0.1071-0.0000 ( 2767 PWs) bands (ev): -45.9854 -45.9854 -22.6995 -22.6987 -22.0638 -22.0625 -22.0219 -22.0215 -14.3854 -14.3853 -6.5069 -6.5038 -5.8781 -5.8716 -5.7972 -5.7949 -0.9061 -0.9011 0.9809 0.9857 1.0533 1.0598 7.7271 7.7713 7.9178 7.9693 8.0901 8.1010 8.6800 8.7028 8.8113 8.8138 9.1451 9.1537 9.5532 9.6173 9.7806 9.8126 9.9233 9.9701 12.6825 12.6918 12.8724 12.8818 12.9537 12.9718 14.8364 14.8387 k = 0.1157 0.1161-0.0000 ( 2765 PWs) bands (ev): -45.9854 -45.9854 -22.7000 -22.6992 -22.0648 -22.0634 -22.0222 -22.0218 -14.3814 -14.3813 -6.5067 -6.5034 -5.8777 -5.8707 -5.7955 -5.7931 -0.8998 -0.8945 0.9833 0.9884 1.0663 1.0733 7.6856 7.7286 7.8839 7.9334 8.0762 8.0870 8.6317 8.6556 8.7793 8.7817 9.1444 9.1524 9.5123 9.5696 9.7611 9.7896 9.9067 9.9516 12.7112 12.7205 12.9066 12.9162 12.9855 13.0042 14.8584 14.8607 k = 0.1246 0.1250-0.0000 ( 2763 PWs) bands (ev): -45.9854 -45.9854 -22.7006 -22.6997 -22.0658 -22.0643 -22.0224 -22.0220 -14.3772 -14.3771 -6.5063 -6.5028 -5.8771 -5.8698 -5.7936 -5.7911 -0.8933 -0.8877 0.9859 0.9913 1.0797 1.0871 7.6413 7.6825 7.8480 7.8948 8.0621 8.0727 8.5824 8.6074 8.7459 8.7483 9.1444 9.1519 9.4706 9.5210 9.7401 9.7652 9.8896 9.9326 12.7417 12.7512 12.9423 12.9520 13.0198 13.0389 14.8812 14.8835 k = 0.1335 0.1339-0.0000 ( 2759 PWs) bands (ev): -45.9853 -45.9853 -22.7013 -22.7003 -22.0668 -22.0653 -22.0227 -22.0222 -14.3728 -14.3727 -6.5058 -6.5022 -5.8765 -5.8689 -5.7913 -5.7887 -0.8867 -0.8808 0.9887 0.9944 1.0932 1.1010 7.5946 7.6335 7.8098 7.8535 8.0477 8.0582 8.5323 8.5582 8.7113 8.7136 9.1449 9.1518 9.4284 9.4722 9.7177 9.7397 9.8724 9.9135 12.7742 12.7837 12.9794 12.9890 13.0563 13.0757 14.9046 14.9068 k = 0.1424 0.1429-0.0000 ( 2759 PWs) bands (ev): -45.9853 -45.9853 -22.7020 -22.7009 -22.0680 -22.0663 -22.0229 -22.0225 -14.3682 -14.3680 -6.5051 -6.5013 -5.8759 -5.8679 -5.7887 -5.7860 -0.8801 -0.8739 0.9915 0.9975 1.1067 1.1148 7.5457 7.5823 7.7693 7.8096 8.0332 8.0437 8.4817 8.5083 8.6757 8.6780 9.1454 9.1519 9.3865 9.4238 9.6941 9.7130 9.8557 9.8949 12.8084 12.8180 13.0175 13.0272 13.0948 13.1145 14.9284 14.9306 k = 0.1513 0.1518-0.0000 ( 2762 PWs) bands (ev): -45.9852 -45.9852 -22.7027 -22.7016 -22.0692 -22.0674 -22.0232 -22.0227 -14.3634 -14.3633 -6.5042 -6.5003 -5.8752 -5.8669 -5.7858 -5.7830 -0.8735 -0.8671 0.9945 1.0009 1.1201 1.1284 7.4952 7.5293 7.7263 7.7632 8.0185 8.0291 8.4307 8.4578 8.6393 8.6415 9.1454 9.1513 9.3458 9.3769 9.6693 9.6852 9.8398 9.8771 12.8442 12.8538 13.0566 13.0663 13.1352 13.1549 14.9525 14.9547 k = 0.1602 0.1607-0.0000 ( 2758 PWs) bands (ev): -45.9852 -45.9852 -22.7034 -22.7023 -22.0704 -22.0686 -22.0235 -22.0230 -14.3585 -14.3583 -6.5030 -6.4989 -5.8744 -5.8659 -5.7826 -5.7797 -0.8671 -0.8604 0.9975 1.0043 1.1331 1.1416 7.4434 7.4751 7.6811 7.7147 8.0035 8.0144 8.3793 8.4066 8.6022 8.6043 9.1438 9.1490 9.3080 9.3331 9.6432 9.6566 9.8252 9.8604 12.8815 12.8911 13.0965 13.1061 13.1773 13.1969 14.9768 14.9789 k = 0.1691 0.1696-0.0000 ( 2754 PWs) bands (ev): -45.9851 -45.9851 -22.7041 -22.7030 -22.0716 -22.0697 -22.0238 -22.0233 -14.3534 -14.3532 -6.5015 -6.4973 -5.8736 -5.8649 -5.7790 -5.7761 -0.8607 -0.8539 1.0006 1.0078 1.1457 1.1542 7.3905 7.4200 7.6338 7.6643 7.9883 7.9997 8.3276 8.3549 8.5646 8.5667 9.1385 9.1423 9.2759 9.2949 9.6160 9.6271 9.8121 9.8454 12.9202 12.9298 13.1370 13.1465 13.2208 13.2403 15.0011 15.0032 k = 0.1780 0.1786-0.0000 ( 2750 PWs) bands (ev): -45.9851 -45.9851 -22.7049 -22.7037 -22.0729 -22.0710 -22.0241 -22.0235 -14.3482 -14.3480 -6.4996 -6.4953 -5.8727 -5.8638 -5.7752 -5.7723 -0.8546 -0.8476 1.0038 1.0114 1.1577 1.1662 7.3371 7.3643 7.5847 7.6122 7.9728 7.9850 8.2757 8.3023 8.5267 8.5286 9.1264 9.1284 9.2531 9.2659 9.5878 9.5968 9.8008 9.8321 12.9602 12.9696 13.1779 13.1873 13.2656 13.2849 15.0254 15.0274 k = 0.1869 0.1875-0.0000 ( 2744 PWs) bands (ev): -45.9850 -45.9850 -22.7057 -22.7045 -22.0742 -22.0722 -22.0244 -22.0238 -14.3429 -14.3427 -6.4973 -6.4929 -5.8718 -5.8627 -5.7712 -5.7682 -0.8487 -0.8415 1.0069 1.0150 1.1689 1.1773 7.2832 7.3085 7.5340 7.5587 7.9569 7.9702 8.2234 8.2489 8.4885 8.4904 9.1056 9.1059 9.2412 9.2485 9.5584 9.5658 9.7916 9.8209 13.0012 13.0106 13.2191 13.2284 13.3114 13.3305 15.0495 15.0514 k = 0.1958 0.1964-0.0000 ( 2740 PWs) bands (ev): -45.9850 -45.9850 -22.7065 -22.7052 -22.0755 -22.0734 -22.0247 -22.0241 -14.3375 -14.3374 -6.4945 -6.4901 -5.8709 -5.8616 -5.7669 -5.7639 -0.8431 -0.8357 1.0101 1.0187 1.1793 1.1875 7.2294 7.2528 7.4819 7.5040 7.9405 7.9553 8.1709 8.1945 8.4502 8.4521 9.0776 9.0779 9.2381 9.2414 9.5282 9.5342 9.7845 9.8118 13.0432 13.0525 13.2605 13.2696 13.3581 13.3769 15.0733 15.0752 k = 0.2047 0.2054-0.0000 ( 2740 PWs) bands (ev): -45.9849 -45.9849 -22.7073 -22.7060 -22.0768 -22.0748 -22.0250 -22.0244 -14.3321 -14.3320 -6.4913 -6.4867 -5.8699 -5.8605 -5.7626 -5.7595 -0.8378 -0.8303 1.0132 1.0223 1.1887 1.1966 7.1757 7.1974 7.4289 7.4486 7.9233 7.9404 8.1182 8.1390 8.4120 8.4138 9.0472 9.0473 9.2404 9.2413 9.4971 9.5020 9.7797 9.8049 13.0861 13.0952 13.3019 13.3109 13.4055 13.4239 15.0967 15.0985 k = 0.2136 0.2143-0.0000 ( 2736 PWs) bands (ev): -45.9849 -45.9849 -22.7081 -22.7068 -22.0782 -22.0761 -22.0253 -22.0247 -14.3267 -14.3265 -6.4874 -6.4828 -5.8688 -5.8594 -5.7581 -5.7550 -0.8328 -0.8252 1.0161 1.0259 1.1970 1.2045 7.1223 7.1425 7.3751 7.3926 7.9048 7.9254 8.0659 8.0822 8.3740 8.3757 9.0171 9.0176 9.2451 9.2459 9.4654 9.4694 9.7770 9.8003 13.1296 13.1386 13.3431 13.3520 13.4535 13.4715 15.1197 15.1214 k = 0.2225 0.2232-0.0000 ( 2732 PWs) bands (ev): -45.9848 -45.9848 -22.7090 -22.7076 -22.0796 -22.0774 -22.0256 -22.0250 -14.3212 -14.3210 -6.4829 -6.4783 -5.8678 -5.8583 -5.7536 -5.7505 -0.8283 -0.8206 1.0189 1.0293 1.2043 1.2113 7.0696 7.0884 7.3208 7.3363 7.8839 7.9103 8.0148 8.0243 8.3362 8.3379 8.9893 8.9902 9.2512 9.2534 9.4332 9.4365 9.7767 9.7979 13.1737 13.1826 13.3842 13.3929 13.5019 13.5194 15.1422 15.1438 k = 0.2314 0.2321-0.0000 ( 2740 PWs) bands (ev): -45.9848 -45.9848 -22.7099 -22.7085 -22.0810 -22.0788 -22.0260 -22.0254 -14.3157 -14.3156 -6.4778 -6.4732 -5.8667 -5.8571 -5.7491 -5.7460 -0.8241 -0.8164 1.0215 1.0326 1.2105 1.2169 7.0176 7.0352 7.2662 7.2800 7.8586 7.8950 7.9652 7.9671 8.2988 8.3005 8.9651 8.9663 9.2587 9.2620 9.4006 9.4033 9.7785 9.7978 13.2183 13.2270 13.4249 13.4335 13.5505 13.5675 15.1641 15.1657 k = 0.2403 0.2411-0.0000 ( 2742 PWs) bands (ev): -45.9847 -45.9847 -22.7107 -22.7094 -22.0824 -22.0802 -22.0263 -22.0257 -14.3103 -14.3101 -6.4720 -6.4673 -5.8656 -5.8559 -5.7447 -5.7416 -0.8204 -0.8126 1.0239 1.0357 1.2156 1.2213 6.9666 6.9830 7.2117 7.2238 7.8256 7.8785 7.9062 7.9262 8.2619 8.2635 8.9453 8.9464 9.2668 9.2712 9.3681 9.3704 9.7824 9.7998 13.2631 13.2716 13.4651 13.4736 13.5991 13.6156 15.1854 15.1868 k = 0.2491 0.2500-0.0000 ( 2738 PWs) bands (ev): -45.9847 -45.9847 -22.7116 -22.7102 -22.0838 -22.0816 -22.0266 -22.0260 -14.3049 -14.3048 -6.4654 -6.4608 -5.8644 -5.8548 -5.7405 -5.7373 -0.8171 -0.8092 1.0259 1.0385 1.2196 1.2245 6.9165 6.9319 7.1574 7.1680 7.7826 7.8395 7.8685 7.8943 8.2255 8.2271 8.9303 8.9310 9.2744 9.2798 9.3367 9.3387 9.7883 9.8039 13.3080 13.3164 13.5048 13.5131 13.6477 13.6636 15.2060 15.2073 k = 0.2580 0.2589-0.0000 ( 2734 PWs) bands (ev): -45.9846 -45.9846 -22.7124 -22.7110 -22.0852 -22.0829 -22.0269 -22.0263 -14.2996 -14.2994 -6.4581 -6.4534 -5.8633 -5.8536 -5.7365 -5.7333 -0.8142 -0.8064 1.0274 1.0409 1.2226 1.2267 6.8675 6.8820 7.1035 7.1128 7.7316 7.7784 7.8521 7.8696 8.1898 8.1914 8.9203 8.9204 9.2762 9.2815 9.3113 9.3144 9.7961 9.8099 13.3530 13.3611 13.5439 13.5520 13.6960 13.7114 15.2258 15.2271 k = 0.2669 0.2679-0.0000 ( 2738 PWs) bands (ev): -45.9846 -45.9846 -22.7133 -22.7119 -22.0866 -22.0844 -22.0273 -22.0266 -14.2943 -14.2942 -6.4500 -6.4453 -5.8621 -5.8524 -5.7327 -5.7296 -0.8118 -0.8040 1.0285 1.0428 1.2248 1.2279 6.8198 6.8334 7.0502 7.0584 7.6758 7.7153 7.8370 7.8492 8.1548 8.1564 8.9146 8.9155 9.2575 9.2604 9.3070 9.3133 9.8056 9.8178 13.3978 13.4057 13.5823 13.5902 13.7440 13.7588 15.2449 15.2461 k = 0.2758 0.2768-0.0000 ( 2738 PWs) bands (ev): -45.9845 -45.9845 -22.7141 -22.7127 -22.0879 -22.0857 -22.0276 -22.0270 -14.2891 -14.2890 -6.4411 -6.4364 -5.8609 -5.8513 -5.7294 -5.7263 -0.8099 -0.8021 1.0290 1.0441 1.2262 1.2283 6.7733 6.7862 6.9978 7.0049 7.6173 7.6516 7.8222 7.8310 8.1206 8.1222 8.9139 8.9158 9.2274 9.2295 9.3144 9.3227 9.8168 9.8273 13.4423 13.4500 13.6199 13.6276 13.7915 13.8057 15.2632 15.2643 k = 0.2847 0.2857-0.0000 ( 2742 PWs) bands (ev): -45.9844 -45.9844 -22.7150 -22.7136 -22.0893 -22.0871 -22.0279 -22.0273 -14.2841 -14.2840 -6.4314 -6.4267 -5.8597 -5.8501 -5.7265 -5.7234 -0.8084 -0.8007 1.0288 1.0447 1.2270 1.2281 6.7282 6.7405 6.9463 6.9525 7.5574 7.5875 7.8076 7.8143 8.0873 8.0888 8.9180 8.9211 9.1955 9.1972 9.3241 9.3339 9.8294 9.8383 13.4864 13.4939 13.6566 13.6641 13.8383 13.8520 15.2807 15.2817 k = 0.2936 0.2946-0.0000 ( 2730 PWs) bands (ev): -45.9844 -45.9844 -22.7157 -22.7144 -22.0906 -22.0884 -22.0282 -22.0275 -14.2792 -14.2790 -6.4208 -6.4161 -5.8585 -5.8489 -5.7241 -5.7209 -0.8074 -0.7997 1.0278 1.0446 1.2274 1.2274 6.6846 6.6962 6.8959 6.9013 7.4968 7.5236 7.7932 7.7984 8.0549 8.0564 8.9268 8.9312 9.1634 9.1649 9.3344 9.3457 9.8433 9.8507 13.5300 13.5373 13.6923 13.6997 13.8843 13.8974 15.2973 15.2982 k = 0.3025 0.3036-0.0000 ( 2734 PWs) bands (ev): -45.9843 -45.9843 -22.7165 -22.7152 -22.0919 -22.0897 -22.0285 -22.0279 -14.2744 -14.2743 -6.4094 -6.4048 -5.8573 -5.8478 -5.7223 -5.7191 -0.8068 -0.7992 1.0260 1.0435 1.2264 1.2275 6.6424 6.6534 6.8469 6.8515 7.4361 7.4600 7.7790 7.7831 8.0234 8.0250 8.9401 8.9459 9.1316 9.1330 9.3450 9.3578 9.8584 9.8643 13.5729 13.5800 13.7271 13.7342 13.9294 13.9419 15.3131 15.3139 k = 0.3114 0.3125-0.0000 ( 2726 PWs) bands (ev): -45.9843 -45.9843 -22.7173 -22.7160 -22.0931 -22.0910 -22.0287 -22.0281 -14.2697 -14.2696 -6.3972 -6.3926 -5.8562 -5.8467 -5.7211 -5.7179 -0.8066 -0.7991 1.0233 1.0414 1.2254 1.2274 6.6016 6.6121 6.7993 6.8032 7.3757 7.3969 7.7651 7.7685 7.9929 7.9945 8.9575 8.9649 9.1003 9.1017 9.3556 9.3701 9.8744 9.8789 13.6150 13.6218 13.7607 13.7677 13.9735 13.9854 15.3280 15.3287 k = 0.3203 0.3214-0.0000 ( 2730 PWs) bands (ev): -45.9842 -45.9842 -22.7181 -22.7168 -22.0944 -22.0923 -22.0290 -22.0284 -14.2652 -14.2651 -6.3842 -6.3796 -5.8550 -5.8455 -5.7206 -5.7174 -0.8069 -0.7995 1.0198 1.0383 1.2245 1.2274 6.5625 6.5724 6.7533 6.7566 7.3158 7.3348 7.7515 7.7543 7.9635 7.9651 8.9786 8.9878 9.0698 9.0713 9.3661 9.3823 9.8912 9.8945 13.6562 13.6627 13.7933 13.8000 14.0163 14.0277 15.3421 15.3427 k = 0.3292 0.3304-0.0000 ( 2730 PWs) bands (ev): -45.9842 -45.9842 -22.7188 -22.7176 -22.0956 -22.0936 -22.0293 -22.0287 -14.2609 -14.2608 -6.3705 -6.3659 -5.8539 -5.8445 -5.7208 -5.7176 -0.8075 -0.8002 1.0153 1.0341 1.2239 1.2275 6.5249 6.5343 6.7090 6.7117 7.2569 7.2738 7.7383 7.7406 7.9352 7.9368 9.0025 9.0139 9.0404 9.0424 9.3766 9.3946 9.9086 9.9107 13.6962 13.7026 13.8246 13.8311 14.0578 14.0686 15.3553 15.3558 k = 0.3381 0.3393-0.0000 ( 2730 PWs) bands (ev): -45.9841 -45.9841 -22.7195 -22.7183 -22.0967 -22.0948 -22.0295 -22.0290 -14.2568 -14.2567 -6.3560 -6.3515 -5.8527 -5.8434 -5.7218 -5.7186 -0.8084 -0.8013 1.0100 1.0289 1.2236 1.2278 6.4889 6.4977 6.6666 6.6687 7.1992 7.2142 7.7255 7.7275 7.9080 7.9096 9.0094 9.0108 9.0343 9.0443 9.3869 9.4068 9.9265 9.9274 13.7351 13.7412 13.8547 13.8610 14.0979 14.1081 15.3676 15.3681 k = 0.3470 0.3482-0.0000 ( 2730 PWs) bands (ev): -45.9841 -45.9841 -22.7202 -22.7190 -22.0978 -22.0959 -22.0298 -22.0292 -14.2528 -14.2527 -6.3408 -6.3363 -5.8516 -5.8424 -5.7236 -5.7203 -0.8096 -0.8027 1.0039 1.0227 1.2237 1.2284 6.4546 6.4627 6.6262 6.6277 7.1429 7.1563 7.7131 7.7148 7.8819 7.8835 8.9832 8.9835 9.0626 9.0762 9.3970 9.4190 9.9445 9.9446 13.7727 13.7785 13.8835 13.8895 14.1364 14.1460 15.3791 15.3795 k = 0.3559 0.3571-0.0000 ( 2734 PWs) bands (ev): -45.9841 -45.9841 -22.7209 -22.7198 -22.0989 -22.0971 -22.0300 -22.0295 -14.2491 -14.2490 -6.3250 -6.3206 -5.8506 -5.8414 -5.7263 -5.7229 -0.8111 -0.8045 0.9972 1.0157 1.2243 1.2292 6.4218 6.4294 6.5880 6.5889 7.0883 7.1002 7.7012 7.7027 7.8570 7.8587 8.9567 8.9571 9.0943 9.1104 9.4069 9.4311 9.9617 9.9627 13.8089 13.8144 13.9110 13.9167 14.1733 14.1823 15.3897 15.3901 k = 0.3648 0.3661-0.0000 ( 2730 PWs) bands (ev): -45.9840 -45.9840 -22.7215 -22.7204 -22.0999 -22.0981 -22.0302 -22.0297 -14.2455 -14.2454 -6.3086 -6.3043 -5.8496 -5.8404 -5.7298 -5.7264 -0.8129 -0.8065 0.9900 1.0080 1.2253 1.2303 6.3908 6.3976 6.5520 6.5523 7.0357 7.0461 7.6898 7.6913 7.8333 7.8350 8.9313 8.9318 9.1277 9.1462 9.4165 9.4431 9.9790 9.9808 13.8435 13.8487 13.9371 13.9426 14.2083 14.2167 15.3996 15.3999 k = 0.3737 0.3750-0.0000 ( 2736 PWs) bands (ev): -45.9840 -45.9840 -22.7221 -22.7211 -22.1009 -22.0992 -22.0304 -22.0300 -14.2422 -14.2421 -6.2918 -6.2875 -5.8487 -5.8395 -5.7342 -5.7307 -0.8148 -0.8087 0.9825 0.9997 1.2267 1.2316 6.3613 6.3675 6.5181 6.5184 6.9852 6.9943 7.6791 7.6805 7.8108 7.8125 8.9073 8.9078 9.1618 9.1830 9.4260 9.4552 9.9961 9.9987 13.8764 13.8814 13.9618 13.9670 14.2414 14.2493 15.4086 15.4088 k = 0.3826 0.3839-0.0000 ( 2734 PWs) bands (ev): -45.9839 -45.9839 -22.7227 -22.7217 -22.1017 -22.1002 -22.0306 -22.0302 -14.2390 -14.2390 -6.2745 -6.2703 -5.8478 -5.8387 -5.7394 -5.7357 -0.8168 -0.8110 0.9747 0.9911 1.2283 1.2332 6.3336 6.3390 6.4863 6.4873 6.9370 6.9449 7.6691 7.6704 7.7895 7.7912 8.8846 8.8850 9.1962 9.2202 9.4353 9.4673 10.0129 10.0161 13.9076 13.9123 13.9850 13.9899 14.2725 14.2798 15.4168 15.4170 k = 0.3915 0.3929-0.0000 ( 2730 PWs) bands (ev): -45.9839 -45.9839 -22.7232 -22.7222 -22.1026 -22.1011 -22.0308 -22.0303 -14.2361 -14.2361 -6.2570 -6.2529 -5.8469 -5.8378 -5.7454 -5.7416 -0.8190 -0.8135 0.9669 0.9824 1.2302 1.2349 6.3075 6.3122 6.4572 6.4587 6.8913 6.8982 7.6597 7.6610 7.7694 7.7711 8.8633 8.8638 9.2301 9.2572 9.4445 9.4795 10.0292 10.0329 13.9370 13.9413 14.0067 14.0113 14.3016 14.3083 15.4243 15.4244 k = 0.4004 0.4018-0.0000 ( 2736 PWs) bands (ev): -45.9839 -45.9839 -22.7237 -22.7228 -22.1034 -22.1020 -22.0309 -22.0306 -14.2334 -14.2334 -6.2393 -6.2353 -5.8462 -5.8370 -5.7523 -5.7482 -0.8212 -0.8160 0.9591 0.9737 1.2322 1.2366 6.2831 6.2871 6.4306 6.4326 6.8483 6.8542 7.6512 7.6525 7.7506 7.7523 8.8435 8.8440 9.2628 9.2931 9.4537 9.4918 10.0450 10.0490 13.9644 13.9684 14.0269 14.0312 14.3285 14.3347 15.4310 15.4311 k = 0.4093 0.4107-0.0000 ( 2742 PWs) bands (ev): -45.9838 -45.9838 -22.7242 -22.7234 -22.1041 -22.1028 -22.0311 -22.0308 -14.2310 -14.2309 -6.2217 -6.2177 -5.8455 -5.8363 -5.7598 -5.7555 -0.8234 -0.8186 0.9517 0.9651 1.2343 1.2384 6.2604 6.2638 6.4068 6.4092 6.8082 6.8131 7.6435 7.6448 7.7330 7.7347 8.8253 8.8257 9.2938 9.3273 9.4633 9.5043 10.0599 10.0642 13.9897 13.9934 14.0456 14.0495 14.3533 14.3589 15.4370 15.4371 k = 0.4182 0.4196-0.0000 ( 2742 PWs) bands (ev): -45.9838 -45.9838 -22.7246 -22.7238 -22.1047 -22.1036 -22.0313 -22.0309 -14.2287 -14.2287 -6.2041 -6.2003 -5.8450 -5.8356 -5.7679 -5.7632 -0.8255 -0.8211 0.9446 0.9568 1.2364 1.2402 6.2396 6.2423 6.3856 6.3883 6.7711 6.7751 7.6367 7.6380 7.7166 7.7183 8.8087 8.8090 9.3225 9.3587 9.4738 9.5171 10.0740 10.0783 14.0129 14.0163 14.0626 14.0662 14.3758 14.3808 15.4423 15.4424 k = 0.4271 0.4286-0.0000 ( 2736 PWs) bands (ev): -45.9838 -45.9838 -22.7249 -22.7242 -22.1053 -22.1042 -22.0314 -22.0311 -14.2267 -14.2267 -6.1869 -6.1833 -5.8445 -5.8350 -5.7765 -5.7714 -0.8275 -0.8235 0.9380 0.9490 1.2385 1.2419 6.2205 6.2226 6.3670 6.3700 6.7372 6.7405 7.6309 7.6322 7.7015 7.7032 8.7937 8.7940 9.3484 9.3860 9.4857 9.5301 10.0870 10.0914 14.0338 14.0369 14.0781 14.0814 14.3960 14.4005 15.4470 15.4470 k = 0.4360 0.4375-0.0000 ( 2738 PWs) bands (ev): -45.9838 -45.9838 -22.7252 -22.7246 -22.1058 -22.1048 -22.0315 -22.0312 -14.2249 -14.2249 -6.1703 -6.1669 -5.8442 -5.8344 -5.7853 -5.7797 -0.8294 -0.8259 0.9320 0.9418 1.2405 1.2435 6.2034 6.2050 6.3510 6.3541 6.7066 6.7092 7.6261 7.6274 7.6877 7.6894 8.7803 8.7806 9.3711 9.4082 9.4997 9.5431 10.0990 10.1032 14.0525 14.0552 14.0920 14.0948 14.4139 14.4179 15.4511 15.4511 k = 0.4449 0.4464-0.0000 ( 2740 PWs) bands (ev): -45.9837 -45.9837 -22.7255 -22.7250 -22.1062 -22.1054 -22.0316 -22.0313 -14.2233 -14.2233 -6.1545 -6.1513 -5.8440 -5.8339 -5.7943 -5.7880 -0.8311 -0.8280 0.9267 0.9352 1.2424 1.2450 6.1883 6.1895 6.3375 6.3406 6.6795 6.6815 7.6223 7.6236 7.6751 7.6768 8.7687 8.7689 9.3905 9.4247 9.5158 9.5557 10.1096 10.1136 14.0689 14.0712 14.1042 14.1067 14.4295 14.4329 15.4545 15.4545 k = 0.4538 0.4554-0.0000 ( 2742 PWs) bands (ev): -45.9837 -45.9837 -22.7257 -22.7253 -22.1066 -22.1059 -22.0316 -22.0315 -14.2220 -14.2220 -6.1399 -6.1370 -5.8439 -5.8335 -5.8030 -5.7960 -0.8326 -0.8299 0.9221 0.9293 1.2441 1.2463 6.1753 6.1761 6.3265 6.3293 6.6561 6.6576 7.6196 7.6210 7.6638 7.6655 8.7587 8.7589 9.4067 9.4363 9.5329 9.5675 10.1190 10.1225 14.0828 14.0847 14.1147 14.1168 14.4428 14.4457 15.4574 15.4574 k = 0.4627 0.4643-0.0000 ( 2726 PWs) bands (ev): -45.9837 -45.9837 -22.7258 -22.7255 -22.1068 -22.1062 -22.0316 -22.0315 -14.2209 -14.2209 -6.1268 -6.1243 -5.8439 -5.8333 -5.8110 -5.8033 -0.8338 -0.8316 0.9184 0.9243 1.2455 1.2473 6.1644 6.1650 6.3177 6.3202 6.6365 6.6377 7.6180 7.6194 7.6538 7.6554 8.7505 8.7507 9.4199 9.4438 9.5497 9.5778 10.1269 10.1299 14.0943 14.0959 14.1236 14.1252 14.4538 14.4561 15.4597 15.4598 k = 0.4716 0.4732-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7260 -22.7257 -22.1070 -22.1066 -22.0317 -22.0316 -14.2200 -14.2200 -6.1157 -6.1137 -5.8439 -5.8337 -5.8175 -5.8097 -0.8347 -0.8331 0.9156 0.9201 1.2468 1.2481 6.1557 6.1561 6.3110 6.3131 6.6210 6.6217 7.6176 7.6190 7.6451 7.6467 8.7440 8.7441 9.4304 9.4484 9.5648 9.5860 10.1333 10.1357 14.1034 14.1046 14.1306 14.1319 14.4625 14.4643 15.4616 15.4616 k = 0.4805 0.4821-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7260 -22.7259 -22.1071 -22.1068 -22.0317 -22.0316 -14.2194 -14.2194 -6.1070 -6.1055 -5.8437 -5.8352 -5.8217 -5.8149 -0.8353 -0.8342 0.9137 0.9168 1.2477 1.2487 6.1494 6.1496 6.3064 6.3079 6.6095 6.6100 7.6183 7.6197 7.6378 7.6393 8.7393 8.7394 9.4385 9.4507 9.5772 9.5916 10.1382 10.1399 14.1101 14.1108 14.1359 14.1367 14.4689 14.4701 15.4629 15.4629 k = 0.4894 0.4911-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7260 -22.1072 -22.1070 -22.0317 -22.0317 -14.2190 -14.2190 -6.1011 -6.1003 -5.8429 -5.8378 -5.8230 -5.8188 -0.8356 -0.8350 0.9128 0.9145 1.2484 1.2489 6.1454 6.1455 6.3037 6.3045 6.6023 6.6025 7.6199 7.6212 7.6321 7.6334 8.7363 8.7364 9.4445 9.4511 9.5864 9.5942 10.1414 10.1423 14.1143 14.1147 14.1393 14.1397 14.4731 14.4737 15.4637 15.4637 k = 0.4983 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1071 -22.0317 -22.0317 -14.2189 -14.2189 -6.0985 -6.0983 -5.8414 -5.8405 -5.8222 -5.8215 -0.8356 -0.8355 0.9128 0.9131 1.2488 1.2489 6.1438 6.1438 6.3028 6.3030 6.5993 6.5994 7.6220 7.6223 7.6293 7.6296 8.7351 8.7351 9.4485 9.4496 9.5921 9.5934 10.1430 10.1431 14.1161 14.1162 14.1408 14.1409 14.4749 14.4750 15.4640 15.4640 k = 0.4983 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1071 -22.0317 -22.0317 -14.2189 -14.2189 -6.0985 -6.0983 -5.8414 -5.8405 -5.8222 -5.8215 -0.8356 -0.8355 0.9128 0.9131 1.2488 1.2489 6.1438 6.1438 6.3028 6.3030 6.5993 6.5994 7.6220 7.6223 7.6293 7.6296 8.7351 8.7351 9.4485 9.4496 9.5921 9.5934 10.1430 10.1431 14.1161 14.1162 14.1408 14.1409 14.4749 14.4750 15.4640 15.4640 k = 0.4855 0.5000-0.0000 ( 2724 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7260 -22.1072 -22.1070 -22.0317 -22.0316 -14.2190 -14.2190 -6.1009 -6.1003 -5.8422 -5.8382 -5.8228 -5.8196 -0.8356 -0.8351 0.9129 0.9142 1.2485 1.2489 6.1456 6.1456 6.3040 6.3046 6.6016 6.6018 7.6209 7.6220 7.6312 7.6323 8.7362 8.7363 9.4451 9.4500 9.5878 9.5938 10.1416 10.1423 14.1145 14.1148 14.1394 14.1397 14.4732 14.4737 15.4638 15.4638 k = 0.4727 0.5000-0.0000 ( 2727 PWs) bands (ev): -45.9837 -45.9837 -22.7260 -22.7259 -22.1071 -22.1069 -22.0317 -22.0316 -14.2194 -14.2194 -6.1067 -6.1056 -5.8416 -5.8348 -5.8223 -5.8167 -0.8352 -0.8344 0.9140 0.9163 1.2478 1.2485 6.1502 6.1504 6.3075 6.3086 6.6074 6.6077 7.6201 7.6214 7.6359 7.6373 8.7392 8.7393 9.4391 9.4480 9.5806 9.5912 10.1384 10.1397 14.1100 14.1105 14.1366 14.1372 14.4692 14.4701 15.4631 15.4631 k = 0.4600 0.5000-0.0000 ( 2729 PWs) bands (ev): -45.9837 -45.9837 -22.7259 -22.7257 -22.1069 -22.1066 -22.0317 -22.0316 -14.2200 -14.2200 -6.1156 -6.1142 -5.8399 -5.8306 -5.8206 -5.8130 -0.8345 -0.8333 0.9161 0.9194 1.2469 1.2479 6.1576 6.1578 6.3134 6.3149 6.6168 6.6173 7.6198 7.6210 7.6430 7.6443 8.7439 8.7440 9.4307 9.4435 9.5706 9.5858 10.1335 10.1353 14.1014 14.1020 14.1338 14.1344 14.4630 14.4642 15.4620 15.4620 k = 0.4472 0.5000-0.0000 ( 2736 PWs) bands (ev): -45.9837 -45.9837 -22.7258 -22.7256 -22.1068 -22.1064 -22.0316 -22.0315 -14.2209 -14.2209 -6.1273 -6.1256 -5.8370 -5.8261 -5.8176 -5.8087 -0.8335 -0.8320 0.9192 0.9234 1.2457 1.2470 6.1674 6.1677 6.3216 6.3236 6.6299 6.6307 7.6197 7.6208 7.6523 7.6536 8.7505 8.7506 9.4199 9.4365 9.5578 9.5776 10.1268 10.1291 14.0881 14.0886 14.1316 14.1322 14.4545 14.4562 15.4605 15.4605 k = 0.4344 0.5000-0.0000 ( 2741 PWs) bands (ev): -45.9837 -45.9837 -22.7257 -22.7253 -22.1065 -22.1060 -22.0316 -22.0315 -14.2220 -14.2220 -6.1414 -6.1395 -5.8333 -5.8217 -5.8132 -5.8038 -0.8322 -0.8303 0.9232 0.9283 1.2442 1.2458 6.1792 6.1796 6.3325 6.3347 6.6468 6.6479 7.6198 7.6208 7.6639 7.6651 8.7588 8.7590 9.4068 9.4271 9.5426 9.5667 10.1182 10.1209 14.0701 14.0705 14.1301 14.1306 14.4441 14.4461 15.4584 15.4584 k = 0.4216 0.5000-0.0000 ( 2740 PWs) bands (ev): -45.9837 -45.9837 -22.7254 -22.7251 -22.1061 -22.1055 -22.0315 -22.0314 -14.2233 -14.2233 -6.1576 -6.1557 -5.8288 -5.8172 -5.8079 -5.7986 -0.8305 -0.8284 0.9281 0.9341 1.2425 1.2443 6.1925 6.1930 6.3461 6.3485 6.6678 6.6693 7.6200 7.6209 7.6777 7.6788 8.7689 8.7691 9.3913 9.4152 9.5250 9.5532 10.1077 10.1108 14.0477 14.0480 14.1289 14.1294 14.4318 14.4341 15.4558 15.4558 k = 0.4089 0.5000-0.0000 ( 2740 PWs) bands (ev): -45.9838 -45.9838 -22.7251 -22.7247 -22.1057 -22.1050 -22.0314 -22.0312 -14.2249 -14.2249 -6.1756 -6.1736 -5.8237 -5.8125 -5.8020 -5.7932 -0.8286 -0.8262 0.9340 0.9408 1.2406 1.2427 6.2066 6.2073 6.3627 6.3652 6.6930 6.6949 7.6203 7.6211 7.6937 7.6947 8.7808 8.7810 9.3736 9.4008 9.5054 9.5375 10.0953 10.0987 14.0212 14.0215 14.1280 14.1283 14.4178 14.4205 15.4525 15.4525 k = 0.3961 0.5000-0.0000 ( 2744 PWs) bands (ev): -45.9838 -45.9838 -22.7248 -22.7244 -22.1052 -22.1044 -22.0313 -22.0311 -14.2266 -14.2266 -6.1950 -6.1931 -5.8181 -5.8074 -5.7959 -5.7878 -0.8264 -0.8237 0.9408 0.9484 1.2385 1.2409 6.2209 6.2218 6.3827 6.3851 6.7223 6.7247 7.6207 7.6213 7.7118 7.7127 8.7943 8.7946 9.3537 9.3838 9.4841 9.5197 10.0808 10.0845 13.9910 13.9912 14.1271 14.1274 14.4024 14.4054 15.4485 15.4485 k = 0.3833 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9838 -45.9838 -22.7245 -22.7240 -22.1046 -22.1038 -22.0312 -22.0310 -14.2285 -14.2285 -6.2158 -6.2139 -5.8120 -5.8020 -5.7898 -5.7824 -0.8238 -0.8209 0.9485 0.9568 1.2363 1.2389 6.2347 6.2360 6.4065 6.4087 6.7557 6.7588 7.6211 7.6217 7.7319 7.7328 8.8095 8.8098 9.3318 9.3642 9.4617 9.5001 10.0642 10.0681 13.9572 13.9573 14.1262 14.1265 14.3857 14.3891 15.4436 15.4437 k = 0.3705 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9839 -45.9839 -22.7241 -22.7236 -22.1040 -22.1031 -22.0311 -22.0308 -14.2307 -14.2306 -6.2375 -6.2357 -5.8056 -5.7964 -5.7837 -5.7770 -0.8211 -0.8180 0.9570 0.9659 1.2340 1.2368 6.2476 6.2493 6.4342 6.4360 6.7933 6.7970 7.6216 7.6220 7.7540 7.7548 8.8264 8.8267 9.3078 9.3418 9.4387 9.4790 10.0454 10.0494 13.9201 13.9202 14.1253 14.1255 14.3681 14.3718 15.4378 15.4380 k = 0.3578 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9839 -45.9839 -22.7237 -22.7231 -22.1033 -22.1024 -22.0309 -22.0306 -14.2329 -14.2329 -6.2601 -6.2584 -5.7991 -5.7909 -5.7775 -5.7717 -0.8181 -0.8148 0.9663 0.9758 1.2317 1.2347 6.2593 6.2614 6.4659 6.4673 6.8346 6.8391 7.6220 7.6224 7.7778 7.7786 8.8448 8.8451 9.2820 9.3165 9.4155 9.4569 10.0243 10.0284 13.8799 13.8799 14.1244 14.1246 14.3498 14.3538 15.4310 15.4312 k = 0.3450 0.5000-0.0000 ( 2751 PWs) bands (ev): -45.9839 -45.9839 -22.7232 -22.7226 -22.1026 -22.1016 -22.0307 -22.0304 -14.2353 -14.2353 -6.2834 -6.2818 -5.7927 -5.7857 -5.7710 -5.7663 -0.8148 -0.8114 0.9763 0.9863 1.2294 1.2325 6.2699 6.2724 6.5014 6.5023 6.8795 6.8848 7.6225 7.6228 7.8034 7.8040 8.8648 8.8651 9.2542 9.2882 9.3928 9.4341 10.0008 10.0050 13.8368 13.8369 14.1235 14.1236 14.3311 14.3353 15.4230 15.4232 k = 0.3322 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9839 -45.9839 -22.7228 -22.7221 -22.1019 -22.1008 -22.0305 -22.0302 -14.2379 -14.2379 -6.3072 -6.3057 -5.7867 -5.7811 -5.7639 -5.7605 -0.8114 -0.8079 0.9870 0.9974 1.2272 1.2305 6.2794 6.2822 6.5407 6.5410 6.9276 6.9337 7.6230 7.6233 7.8304 7.8310 8.8862 8.8865 9.2247 9.2572 9.3710 9.4110 9.9749 9.9791 13.7912 13.7912 14.1225 14.1226 14.3121 14.3166 15.4136 15.4139 k = 0.3194 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9840 -45.9840 -22.7223 -22.7216 -22.1011 -22.1000 -22.0302 -22.0299 -14.2406 -14.2405 -6.3313 -6.3300 -5.7814 -5.7773 -5.7562 -5.7542 -0.8078 -0.8042 0.9982 1.0090 1.2251 1.2285 6.2878 6.2910 6.5831 6.5833 6.9784 6.9854 7.6235 7.6237 7.8589 7.8594 8.9090 8.9093 9.1935 9.2235 9.3503 9.3882 9.9465 9.9506 13.7432 13.7433 14.1215 14.1216 14.2932 14.2980 15.4027 15.4032 k = 0.3066 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9840 -45.9840 -22.7217 -22.7210 -22.1003 -22.0992 -22.0300 -22.0296 -14.2433 -14.2433 -6.3556 -6.3544 -5.7771 -5.7742 -5.7480 -5.7471 -0.8040 -0.8004 1.0100 1.0211 1.2232 1.2267 6.2955 6.2989 6.6284 6.6291 7.0314 7.0393 7.6239 7.6241 7.8885 7.8890 8.9330 8.9334 9.1607 9.1877 9.3310 9.3662 9.9156 9.9195 13.6932 13.6933 14.1204 14.1205 14.2746 14.2796 15.3902 15.3908 k = 0.2939 0.5000-0.0000 ( 2742 PWs) bands (ev): -45.9840 -45.9840 -22.7211 -22.7204 -22.0994 -22.0982 -22.0296 -22.0293 -14.2462 -14.2461 -6.3801 -6.3790 -5.7738 -5.7718 -5.7393 -5.7393 -0.8002 -0.7965 1.0221 1.0334 1.2216 1.2251 6.3025 6.3062 6.6766 6.6779 7.0860 7.0949 7.6244 7.6245 7.9192 7.9196 8.9583 8.9586 9.1265 9.1501 9.3135 9.3455 9.8820 9.8857 13.6414 13.6415 14.1193 14.1194 14.2565 14.2618 15.3758 15.3765 k = 0.2811 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9841 -45.9841 -22.7206 -22.7199 -22.0986 -22.0974 -22.0293 -22.0290 -14.2491 -14.2490 -6.4045 -6.4035 -5.7713 -5.7701 -5.7309 -5.7303 -0.7962 -0.7925 1.0346 1.0459 1.2204 1.2239 6.3090 6.3129 6.7275 6.7294 7.1417 7.1516 7.6249 7.6250 7.9508 7.9511 8.9846 8.9848 9.0911 9.1110 9.2980 9.3266 9.8459 9.8493 13.5881 13.5882 14.1182 14.1182 14.2391 14.2447 15.3595 15.3604 k = 0.2683 0.5000-0.0000 ( 2746 PWs) bands (ev): -45.9841 -45.9841 -22.7200 -22.7193 -22.0977 -22.0965 -22.0290 -22.0287 -14.2520 -14.2520 -6.4287 -6.4278 -5.7697 -5.7689 -5.7220 -5.7211 -0.7922 -0.7886 1.0471 1.0583 1.2197 1.2230 6.3150 6.3192 6.7809 6.7835 7.1978 7.2086 7.6253 7.6253 7.9831 7.9833 9.0115 9.0119 9.0552 9.0710 9.2848 9.3100 9.8071 9.8102 13.5336 13.5337 14.1170 14.1170 14.2227 14.2284 15.3410 15.3420 k = 0.2555 0.5000-0.0000 ( 2745 PWs) bands (ev): -45.9842 -45.9842 -22.7195 -22.7187 -22.0968 -22.0956 -22.0287 -22.0283 -14.2550 -14.2549 -6.4526 -6.4518 -5.7687 -5.7683 -5.7128 -5.7117 -0.7881 -0.7845 1.0596 1.0706 1.2196 1.2227 6.3207 6.3251 6.8366 6.8399 7.2535 7.2654 7.6257 7.6257 8.0158 8.0159 9.0145 9.0292 9.0410 9.0429 9.2743 9.2963 9.7656 9.7683 13.4782 13.4783 14.1157 14.1158 14.2073 14.2133 15.3201 15.3214 k = 0.2428 0.5000-0.0000 ( 2745 PWs) bands (ev): -45.9842 -45.9842 -22.7189 -22.7181 -22.0960 -22.0948 -22.0283 -22.0280 -14.2579 -14.2579 -6.4761 -6.4754 -5.7682 -5.7680 -5.7034 -5.7022 -0.7840 -0.7806 1.0719 1.0825 1.2202 1.2230 6.3262 6.3307 6.8945 6.8984 7.3082 7.3212 7.6261 7.6261 8.0488 8.0488 8.9776 8.9887 9.0692 9.0705 9.2670 9.2859 9.7216 9.7239 13.4223 13.4224 14.1144 14.1145 14.1931 14.1993 15.2968 15.2983 k = 0.2300 0.5000-0.0000 ( 2749 PWs) bands (ev): -45.9842 -45.9842 -22.7183 -22.7176 -22.0951 -22.0939 -22.0280 -22.0277 -14.2609 -14.2609 -6.4992 -6.4985 -5.7683 -5.7682 -5.6940 -5.6927 -0.7800 -0.7766 1.0837 1.0939 1.2217 1.2241 6.3315 6.3361 6.9542 6.9589 7.3612 7.3754 7.6264 7.6264 8.0818 8.0819 8.9393 8.9475 9.0985 9.0997 9.2632 9.2792 9.6751 9.6768 13.3661 13.3662 14.1130 14.1132 14.1802 14.1867 15.2709 15.2726 k = 0.2172 0.5000-0.0000 ( 2747 PWs) bands (ev): -45.9843 -45.9843 -22.7178 -22.7170 -22.0943 -22.0931 -22.0276 -22.0273 -14.2638 -14.2638 -6.5216 -6.5210 -5.7687 -5.7687 -5.6846 -5.6833 -0.7760 -0.7727 1.0949 1.1043 1.2243 1.2260 6.3366 6.3414 7.0156 7.0211 7.4119 7.4273 7.6267 7.6268 8.1146 8.1149 8.9008 8.9066 9.1282 9.1295 9.2633 9.2765 9.6263 9.6272 13.3100 13.3101 14.1116 14.1118 14.1687 14.1754 15.2422 15.2442 k = 0.2044 0.5000-0.0000 ( 2749 PWs) bands (ev): -45.9843 -45.9843 -22.7172 -22.7165 -22.0935 -22.0923 -22.0272 -22.0269 -14.2667 -14.2666 -6.5433 -6.5428 -5.7695 -5.7694 -5.6753 -5.6741 -0.7720 -0.7689 1.1052 1.1137 1.2280 1.2290 6.3416 6.3464 7.0783 7.0849 7.4598 7.4764 7.6270 7.6271 8.1471 8.1475 8.8624 8.8662 9.1580 9.1595 9.2675 9.2779 9.5753 9.5753 13.2544 13.2545 14.1101 14.1103 14.1587 14.1657 15.2109 15.2132 k = 0.1917 0.5000-0.0000 ( 2747 PWs) bands (ev): -45.9844 -45.9844 -22.7167 -22.7160 -22.0927 -22.0916 -22.0268 -22.0265 -14.2695 -14.2694 -6.5641 -6.5637 -5.7705 -5.7703 -5.6662 -5.6650 -0.7682 -0.7652 1.1145 1.1219 1.2329 1.2331 6.3464 6.3513 7.1421 7.1498 7.5045 7.5223 7.6272 7.6274 8.1790 8.1796 8.8246 8.8266 9.1876 9.1894 9.2757 9.2832 9.5213 9.5227 13.1995 13.1996 14.1085 14.1088 14.1502 14.1574 15.1769 15.1795 k = 0.1789 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9844 -45.9844 -22.7162 -22.7155 -22.0919 -22.0909 -22.0264 -22.0261 -14.2722 -14.2721 -6.5841 -6.5838 -5.7716 -5.7715 -5.6574 -5.6563 -0.7645 -0.7617 1.1225 1.1287 1.2384 1.2391 6.3512 6.3561 7.2065 7.2155 7.5457 7.5649 7.6275 7.6277 8.2101 8.2108 8.7876 8.7883 9.2170 9.2191 9.2876 9.2913 9.4660 9.4696 13.1457 13.1458 14.1069 14.1072 14.1433 14.1505 15.1404 15.1433 k = 0.1661 0.5000-0.0000 ( 2754 PWs) bands (ev): -45.9844 -45.9844 -22.7157 -22.7150 -22.0912 -22.0902 -22.0260 -22.0258 -14.2748 -14.2747 -6.6031 -6.6028 -5.7730 -5.7728 -5.6489 -5.6478 -0.7609 -0.7583 1.1292 1.1343 1.2447 1.2462 6.3558 6.3607 7.2709 7.2814 7.5836 7.6043 7.6278 7.6280 8.2402 8.2411 8.7513 8.7516 9.2456 9.2482 9.2988 9.3007 9.4118 9.4197 13.0934 13.0935 14.1054 14.1056 14.1378 14.1451 15.1016 15.1048 k = 0.1533 0.5000-0.0000 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7152 -22.7146 -22.0905 -22.0896 -22.0256 -22.0254 -14.2772 -14.2772 -6.6211 -6.6208 -5.7744 -5.7742 -5.6407 -5.6398 -0.7575 -0.7551 1.1347 1.1388 1.2520 1.2542 6.3604 6.3652 7.3344 7.3466 7.6180 7.6277 7.6288 7.6417 8.2690 8.2701 8.7160 8.7171 9.2727 9.2758 9.2925 9.3029 9.3714 9.3863 13.0429 13.0431 14.1039 14.1041 14.1336 14.1409 15.0610 15.0645 k = 0.1405 0.5000-0.0000 ( 2756 PWs) bands (ev): -45.9845 -45.9845 -22.7147 -22.7141 -22.0899 -22.0890 -22.0253 -22.0250 -14.2796 -14.2796 -6.6379 -6.6377 -5.7759 -5.7757 -5.6330 -5.6322 -0.7543 -0.7521 1.1392 1.1423 1.2599 1.2627 6.3647 6.3694 7.3959 7.4100 7.6274 7.6282 7.6532 7.6767 8.2965 8.2976 8.6826 8.6842 9.2525 9.2600 9.3038 9.3050 9.3725 9.3859 12.9947 12.9948 14.1026 14.1027 14.1306 14.1380 15.0190 15.0228 k = 0.1278 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9845 -45.9845 -22.7143 -22.7137 -22.0893 -22.0884 -22.0249 -22.0246 -14.2818 -14.2817 -6.6534 -6.6533 -5.7773 -5.7772 -5.6258 -5.6250 -0.7513 -0.7493 1.1427 1.1450 1.2682 1.2713 6.3690 6.3735 7.4535 7.4695 7.6278 7.6285 7.6870 7.7121 8.3223 8.3235 8.6513 8.6533 9.1966 9.2020 9.3295 9.3314 9.3944 9.4043 12.9490 12.9492 14.1015 14.1016 14.1287 14.1360 14.9762 14.9803 k = 0.1150 0.5000-0.0000 ( 2749 PWs) bands (ev): -45.9845 -45.9845 -22.7138 -22.7134 -22.0887 -22.0879 -22.0245 -22.0243 -14.2838 -14.2838 -6.6677 -6.6676 -5.7788 -5.7786 -5.6192 -5.6184 -0.7486 -0.7467 1.1455 1.1472 1.2765 1.2798 6.3730 6.3773 7.5051 7.5221 7.6280 7.6289 7.7242 7.7499 8.3462 8.3476 8.6224 8.6245 9.1345 9.1382 9.3547 9.3566 9.4214 9.4292 12.9063 12.9064 14.1006 14.1007 14.1277 14.1350 14.9334 14.9377 k = 0.1022 0.5000-0.0000 ( 2751 PWs) bands (ev): -45.9846 -45.9846 -22.7135 -22.7130 -22.0882 -22.0875 -22.0242 -22.0240 -14.2856 -14.2856 -6.6807 -6.6806 -5.7802 -5.7800 -5.6131 -5.6124 -0.7460 -0.7444 1.1477 1.1489 1.2847 1.2880 6.3768 6.3808 7.5482 7.5649 7.6282 7.6293 7.7678 7.7924 8.3682 8.3696 8.5961 8.5981 9.0699 9.0723 9.3786 9.3802 9.4501 9.4566 12.8669 12.8670 14.1000 14.1001 14.1276 14.1347 14.8915 14.8959 k = 0.0894 0.5000-0.0000 ( 2747 PWs) bands (ev): -45.9846 -45.9846 -22.7131 -22.7127 -22.0877 -22.0871 -22.0238 -22.0237 -14.2873 -14.2873 -6.6923 -6.6922 -5.7815 -5.7814 -5.6076 -5.6070 -0.7438 -0.7423 1.1494 1.1503 1.2925 1.2956 6.3803 6.3839 7.5816 7.5966 7.6286 7.6300 7.8190 7.8409 8.3879 8.3895 8.5726 8.5744 9.0042 9.0056 9.4006 9.4019 9.4790 9.4844 12.8312 12.8313 14.0996 14.0997 14.1282 14.1350 14.8513 14.8557 k = 0.0767 0.5000-0.0000 ( 2751 PWs) bands (ev): -45.9846 -45.9846 -22.7129 -22.7125 -22.0873 -22.0868 -22.0236 -22.0235 -14.2887 -14.2887 -6.7024 -6.7023 -5.7826 -5.7825 -5.6028 -5.6023 -0.7418 -0.7405 1.1507 1.1513 1.2996 1.3025 6.3835 6.3868 7.6052 7.6178 7.6296 7.6315 7.8760 7.8945 8.4053 8.4070 8.5521 8.5536 8.9384 8.9390 9.4203 9.4214 9.5068 9.5113 12.7994 12.7995 14.0993 14.0995 14.1294 14.1359 14.8137 14.8180 k = 0.0639 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9846 -45.9846 -22.7126 -22.7123 -22.0870 -22.0865 -22.0234 -22.0233 -14.2900 -14.2900 -6.7110 -6.7110 -5.7837 -5.7836 -5.5986 -5.5983 -0.7400 -0.7390 1.1518 1.1522 1.3060 1.3085 6.3864 6.3892 7.6191 7.6262 7.6353 7.6362 7.9360 7.9511 8.4202 8.4218 8.5347 8.5359 8.8736 8.8736 9.4376 9.4384 9.5325 9.5361 12.7720 12.7720 14.0991 14.0994 14.1311 14.1370 14.7799 14.7839 k = 0.0511 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7124 -22.7121 -22.0867 -22.0863 -22.0232 -22.0231 -14.2910 -14.2910 -6.7181 -6.7181 -5.7846 -5.7845 -5.5952 -5.5949 -0.7386 -0.7377 1.1526 1.1528 1.3114 1.3135 6.3888 6.3911 7.6243 7.6272 7.6423 7.6452 7.9958 8.0077 8.4323 8.4339 8.5209 8.5216 8.8110 8.8115 9.4520 9.4527 9.5550 9.5579 12.7491 12.7491 14.0991 14.0993 14.1332 14.1383 14.7506 14.7541 k = 0.0383 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7122 -22.7120 -22.0864 -22.0862 -22.0230 -22.0229 -14.2918 -14.2918 -6.7237 -6.7237 -5.7853 -5.7852 -5.5925 -5.5923 -0.7374 -0.7368 1.1532 1.1533 1.3158 1.3175 6.3908 6.3926 7.6260 7.6274 7.6490 7.6515 8.0516 8.0607 8.4415 8.4429 8.5108 8.5113 8.7536 8.7544 9.4635 9.4640 9.5735 9.5757 12.7310 12.7310 14.0990 14.0993 14.1354 14.1395 14.7269 14.7298 k = 0.0256 0.5000-0.0000 ( 2747 PWs) bands (ev): -45.9847 -45.9847 -22.7120 -22.7119 -22.0862 -22.0860 -22.0229 -22.0228 -14.2924 -14.2924 -6.7277 -6.7277 -5.7858 -5.7857 -5.5906 -5.5904 -0.7366 -0.7361 1.1536 1.1536 1.3191 1.3202 6.3924 6.3936 7.6267 7.6275 7.6537 7.6554 8.0992 8.1054 8.4474 8.4484 8.5048 8.5052 8.7052 8.7061 9.4718 9.4721 9.5874 9.5889 12.7180 12.7180 14.0991 14.0992 14.1374 14.1403 14.7095 14.7116 k = 0.0128 0.5000-0.0000 ( 2751 PWs) bands (ev): -45.9847 -45.9847 -22.7120 -22.7119 -22.0861 -22.0860 -22.0228 -22.0228 -14.2927 -14.2927 -6.7301 -6.7301 -5.7861 -5.7861 -5.5894 -5.5893 -0.7360 -0.7358 1.1538 1.1538 1.3212 1.3218 6.3935 6.3941 7.6271 7.6274 7.6565 7.6574 8.1327 8.1360 8.4503 8.4508 8.5026 8.5028 8.6716 8.6722 9.4769 9.4771 9.5961 9.5968 12.7101 12.7101 14.0991 14.0992 14.1391 14.1405 14.6991 14.7001 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9847 -45.9847 -22.7119 -22.7119 -22.0860 -22.0860 -22.0228 -22.0228 -14.2929 -14.2929 -6.7309 -6.7309 -5.7862 -5.7862 -5.5890 -5.5890 -0.7357 -0.7357 1.1539 1.1539 1.3221 1.3221 6.3940 6.3940 7.6273 7.6273 7.6577 7.6577 8.1460 8.1460 8.4512 8.4512 8.5024 8.5024 8.6595 8.6595 9.4787 9.4787 9.5993 9.5993 12.7074 12.7074 14.0991 14.0991 14.1401 14.1401 14.6959 14.6959 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9847 -45.9847 -22.7119 -22.7119 -22.0860 -22.0860 -22.0228 -22.0228 -14.2929 -14.2929 -6.7309 -6.7309 -5.7862 -5.7862 -5.5890 -5.5890 -0.7357 -0.7357 1.1539 1.1539 1.3221 1.3221 6.3940 6.3940 7.6273 7.6273 7.6577 7.6577 8.1460 8.1460 8.4512 8.4512 8.5024 8.5024 8.6595 8.6595 9.4787 9.4787 9.5993 9.5993 12.7074 12.7074 14.0991 14.0991 14.1401 14.1401 14.6959 14.6959 k = 0.0000 0.5000 0.0126 ( 2750 PWs) bands (ev): -45.9847 -45.9847 -22.7120 -22.7119 -22.0861 -22.0860 -22.0229 -22.0228 -14.2927 -14.2927 -6.7302 -6.7300 -5.7861 -5.7858 -5.5894 -5.5892 -0.7370 -0.7348 1.1518 1.1557 1.3208 1.3221 6.3934 6.3941 7.6240 7.6284 7.6565 7.6607 8.1434 8.1469 8.3938 8.4037 8.5394 8.5646 8.6487 8.6781 9.4626 9.4769 9.5964 9.6115 12.7080 12.7100 14.0973 14.1001 14.1388 14.1416 14.6991 14.7001 k = 0.0000 0.5000 0.0252 ( 2750 PWs) bands (ev): -45.9847 -45.9847 -22.7121 -22.7119 -22.0861 -22.0860 -22.0231 -22.0229 -14.2924 -14.2924 -6.7281 -6.7277 -5.7857 -5.7851 -5.5906 -5.5902 -0.7387 -0.7343 1.1496 1.1573 1.3182 1.3208 6.3922 6.3936 7.6192 7.6269 7.6576 7.6648 8.1369 8.1470 8.3163 8.3401 8.5826 8.6377 8.6466 8.7131 9.4349 9.4572 9.6029 9.6268 12.7117 12.7157 14.0949 14.1003 14.1379 14.1432 14.7095 14.7116 k = 0.0000 0.5000 0.0378 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7122 -22.7120 -22.0861 -22.0860 -22.0235 -22.0232 -14.2918 -14.2918 -6.7245 -6.7239 -5.7849 -5.7840 -5.5925 -5.5919 -0.7407 -0.7341 1.1471 1.1587 1.3143 1.3182 6.3905 6.3926 7.6134 7.6231 7.6604 7.6691 8.1207 8.1456 8.2391 8.2843 8.6075 8.6345 8.7234 8.7681 9.4003 9.4260 9.6127 9.6409 12.7187 12.7246 14.0922 14.0996 14.1374 14.1447 14.7269 14.7298 k = 0.0000 0.5000 0.0505 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7124 -22.7121 -22.0861 -22.0859 -22.0239 -22.0235 -14.2909 -14.2909 -6.7195 -6.7187 -5.7838 -5.7826 -5.5951 -5.5943 -0.7430 -0.7343 1.1444 1.1598 1.3093 1.3144 6.3883 6.3910 7.6067 7.6177 7.6637 7.6732 8.0865 8.1333 8.1735 8.2462 8.6209 8.6296 8.8026 8.8348 9.3612 9.3884 9.6212 9.6516 12.7292 12.7368 14.0894 14.0983 14.1374 14.1461 14.7503 14.7540 k = 0.0000 0.5000 0.0631 ( 2748 PWs) bands (ev): -45.9846 -45.9846 -22.7126 -22.7122 -22.0861 -22.0859 -22.0244 -22.0239 -14.2899 -14.2898 -6.7130 -6.7121 -5.7822 -5.7807 -5.5983 -5.5974 -0.7457 -0.7349 1.1416 1.1605 1.3031 1.3093 6.3856 6.3889 7.5987 7.6109 7.6668 7.6768 8.0335 8.0740 8.1560 8.2272 8.6258 8.6296 8.8812 8.9064 9.3193 9.3470 9.6265 9.6580 12.7433 12.7525 14.0868 14.0969 14.1377 14.1474 14.7790 14.7833 k = 0.0000 0.5000 0.0757 ( 2752 PWs) bands (ev): -45.9846 -45.9846 -22.7128 -22.7124 -22.0862 -22.0859 -22.0251 -22.0245 -14.2886 -14.2885 -6.7052 -6.7040 -5.7804 -5.7786 -5.6023 -5.6012 -0.7486 -0.7359 1.1385 1.1609 1.2958 1.3033 6.3825 6.3863 7.5888 7.6022 7.6693 7.6796 7.9702 8.0021 8.1530 8.2190 8.6237 8.6370 8.9589 8.9794 9.2756 9.3034 9.6277 9.6597 12.7612 12.7719 14.0847 14.0955 14.1383 14.1487 14.8118 14.8167 k = 0.0000 0.5000 0.0883 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7131 -22.7126 -22.0862 -22.0859 -22.0258 -22.0252 -14.2870 -14.2870 -6.6959 -6.6946 -5.7782 -5.7761 -5.6068 -5.6056 -0.7518 -0.7372 1.1352 1.1609 1.2878 1.2962 6.3791 6.3833 7.5758 7.5908 7.6708 7.6811 7.9037 7.9324 8.1505 8.2146 8.6237 8.6446 9.0353 9.0526 9.2311 9.2589 9.6245 9.6569 12.7830 12.7950 14.0832 14.0946 14.1390 14.1500 14.8478 14.8531 k = 0.0000 0.5000 0.1009 ( 2754 PWs) bands (ev): -45.9846 -45.9846 -22.7134 -22.7128 -22.0863 -22.0859 -22.0267 -22.0260 -14.2853 -14.2853 -6.6854 -6.6839 -5.7757 -5.7733 -5.6120 -5.6106 -0.7554 -0.7390 1.1316 1.1604 1.2791 1.2884 6.3753 6.3798 7.5579 7.5752 7.6711 7.6812 7.8385 7.8674 8.1468 8.2105 8.6266 8.6534 9.1102 9.1250 9.1869 9.2150 9.6171 9.6495 12.8088 12.8220 14.0825 14.0944 14.1399 14.1514 14.8859 14.8915 k = 0.0000 0.5000 0.1135 ( 2756 PWs) bands (ev): -45.9845 -45.9845 -22.7138 -22.7131 -22.0863 -22.0859 -22.0277 -22.0268 -14.2834 -14.2834 -6.6736 -6.6719 -5.7730 -5.7703 -5.6178 -5.6162 -0.7591 -0.7411 1.1277 1.1592 1.2699 1.2798 6.3712 6.3761 7.5329 7.5528 7.6701 7.6797 7.7782 7.8092 8.1411 8.2048 8.6328 8.6641 9.1436 9.1664 9.1863 9.1995 9.6056 9.6380 12.8387 12.8528 14.0828 14.0951 14.1409 14.1528 14.9251 14.9310 k = 0.0000 0.5000 0.1261 ( 2750 PWs) bands (ev): -45.9845 -45.9845 -22.7141 -22.7134 -22.0863 -22.0859 -22.0286 -22.0277 -14.2813 -14.2812 -6.6606 -6.6587 -5.7699 -5.7670 -5.6242 -5.6224 -0.7631 -0.7435 1.1234 1.1572 1.2606 1.2708 6.3670 6.3720 7.4987 7.5205 7.6679 7.6759 7.7268 7.7593 8.1331 8.1964 8.6429 8.6773 9.1027 9.1285 9.2564 9.2680 9.5905 9.6227 12.8724 12.8873 14.0840 14.0969 14.1419 14.1544 14.9645 14.9705 k = 0.0000 0.5000 0.1388 ( 2748 PWs) bands (ev): -45.9845 -45.9845 -22.7145 -22.7137 -22.0863 -22.0858 -22.0297 -22.0287 -14.2790 -14.2789 -6.6465 -6.6444 -5.7667 -5.7635 -5.6310 -5.6291 -0.7673 -0.7463 1.1187 1.1540 1.2516 1.2616 6.3625 6.3677 7.4547 7.4766 7.6630 7.6668 7.6904 7.7178 8.1224 8.1849 8.6569 8.6931 9.0645 9.0905 9.3261 9.3365 9.5723 9.6041 12.9099 12.9255 14.0863 14.0998 14.1430 14.1562 15.0032 15.0095 k = 0.0000 0.5000 0.1514 ( 2746 PWs) bands (ev): -45.9844 -45.9844 -22.7149 -22.7140 -22.0864 -22.0858 -22.0309 -22.0298 -14.2765 -14.2765 -6.6313 -6.6290 -5.7632 -5.7598 -5.6383 -5.6363 -0.7717 -0.7495 1.1134 1.1495 1.2433 1.2523 6.3578 6.3631 7.4024 7.4226 7.6385 7.6567 7.6766 7.6864 8.1089 8.1699 8.6747 8.7117 9.0298 9.0560 9.3939 9.4032 9.5514 9.5830 12.9509 12.9671 14.0897 14.1041 14.1441 14.1583 15.0406 15.0470 k = 0.0000 0.5000 0.1640 ( 2752 PWs) bands (ev): -45.9844 -45.9844 -22.7154 -22.7145 -22.0864 -22.0858 -22.0321 -22.0310 -14.2739 -14.2739 -6.6150 -6.6126 -5.7596 -5.7559 -5.6461 -5.6440 -0.7762 -0.7529 1.1074 1.1433 1.2360 1.2433 6.3531 6.3584 7.3443 7.3621 7.6070 7.6332 7.6694 7.6739 8.0927 8.1515 8.6961 8.7329 8.9992 9.0260 9.4591 9.4677 9.5285 9.5602 12.9952 13.0118 14.0941 14.1096 14.1453 14.1608 15.0762 15.0827 k = 0.0000 0.5000 0.1766 ( 2752 PWs) bands (ev): -45.9844 -45.9844 -22.7158 -22.7149 -22.0865 -22.0859 -22.0334 -22.0322 -14.2712 -14.2711 -6.5979 -6.5952 -5.7559 -5.7519 -5.6542 -5.6520 -0.7809 -0.7566 1.1006 1.1352 1.2300 1.2349 6.3482 6.3535 7.2829 7.2982 7.5737 7.5993 7.6657 7.6698 8.0739 8.1303 8.7203 8.7565 8.9731 9.0009 9.5034 9.5177 9.5283 9.5430 13.0424 13.0593 14.0994 14.1166 14.1467 14.1639 15.1094 15.1162 k = 0.0000 0.5000 0.1892 ( 2752 PWs) bands (ev): -45.9843 -45.9843 -22.7163 -22.7153 -22.0865 -22.0859 -22.0347 -22.0335 -14.2683 -14.2683 -6.5799 -6.5771 -5.7521 -5.7479 -5.6626 -5.6604 -0.7856 -0.7606 1.0928 1.1254 1.2251 1.2276 6.3432 6.3485 7.2200 7.2330 7.5373 7.5610 7.6638 7.6673 8.0528 8.1064 8.7465 8.7821 8.9515 8.9815 9.4789 9.5064 9.5855 9.5922 13.0922 13.1093 14.1055 14.1247 14.1482 14.1677 15.1402 15.1471 k = 0.0000 0.5000 0.2018 ( 2750 PWs) bands (ev): -45.9843 -45.9843 -22.7168 -22.7158 -22.0866 -22.0859 -22.0360 -22.0347 -14.2654 -14.2653 -6.5611 -6.5581 -5.7482 -5.7438 -5.6713 -5.6690 -0.7905 -0.7648 1.0841 1.1141 1.2196 1.2231 6.3381 6.3433 7.1567 7.1677 7.4973 7.5190 7.6628 7.6656 8.0298 8.0803 8.7734 8.8091 8.9346 8.9680 9.4539 9.4815 9.6435 9.6497 13.1442 13.1614 14.1121 14.1339 14.1504 14.1725 15.1682 15.1752 k = 0.0000 0.5000 0.2144 ( 2744 PWs) bands (ev): -45.9842 -45.9842 -22.7172 -22.7162 -22.0866 -22.0859 -22.0373 -22.0360 -14.2623 -14.2623 -6.5418 -6.5386 -5.7444 -5.7398 -5.6802 -5.6779 -0.7953 -0.7693 1.0743 1.1014 1.2140 1.2209 6.3330 6.3380 7.0937 7.1031 7.4534 7.4733 7.6622 7.6647 8.0051 8.0526 8.7992 8.8367 8.9224 8.9615 9.4295 9.4565 9.6992 9.7050 13.1981 13.2153 14.1188 14.1423 14.1547 14.1788 15.1934 15.2006 k = 0.0000 0.5000 0.2270 ( 2742 PWs) bands (ev): -45.9842 -45.9842 -22.7177 -22.7167 -22.0867 -22.0860 -22.0386 -22.0373 -14.2592 -14.2592 -6.5218 -6.5185 -5.7406 -5.7359 -5.6892 -5.6869 -0.8002 -0.7739 1.0636 1.0879 1.2094 1.2198 6.3277 6.3325 7.0318 7.0397 7.4060 7.4241 7.6620 7.6643 7.9791 8.0236 8.8214 8.8622 8.9168 8.9628 9.4066 9.4328 9.7524 9.7578 13.2534 13.2706 14.1251 14.1472 14.1642 14.1868 15.2158 15.2232 k = 0.0000 0.5000 0.2397 ( 2744 PWs) bands (ev): -45.9841 -45.9841 -22.7183 -22.7172 -22.0868 -22.0860 -22.0400 -22.0387 -14.2561 -14.2561 -6.5014 -6.4979 -5.7370 -5.7322 -5.6982 -5.6959 -0.8051 -0.7787 1.0521 1.0737 1.2059 1.2195 6.3222 6.3268 6.9712 6.9778 7.3555 7.3720 7.6621 7.6643 7.9522 7.9937 8.8375 8.8771 8.9256 8.9730 9.3858 9.4110 9.8028 9.8079 13.3097 13.3269 14.1309 14.1496 14.1775 14.1970 15.2355 15.2431 k = 0.0000 0.5000 0.2523 ( 2742 PWs) bands (ev): -45.9841 -45.9841 -22.7188 -22.7177 -22.0869 -22.0861 -22.0413 -22.0400 -14.2529 -14.2529 -6.4807 -6.4771 -5.7337 -5.7291 -5.7068 -5.7048 -0.8099 -0.7836 1.0399 1.0591 1.2034 1.2197 6.3166 6.3210 6.9123 6.9178 7.3026 7.3177 7.6623 7.6647 7.9248 7.9632 8.8467 8.8778 8.9510 8.9913 9.3678 9.3920 9.8505 9.8554 13.3667 13.3838 14.1358 14.1513 14.1929 14.2092 15.2526 15.2603 k = 0.0000 0.5000 0.2649 ( 2742 PWs) bands (ev): -45.9841 -45.9841 -22.7193 -22.7182 -22.0870 -22.0862 -22.0426 -22.0413 -14.2498 -14.2497 -6.4597 -6.4560 -5.7314 -5.7276 -5.7140 -5.7127 -0.8147 -0.7886 1.0272 1.0444 1.2018 1.2204 6.3107 6.3149 6.8553 6.8598 7.2481 7.2619 7.6627 7.6654 7.8970 7.9325 8.8501 8.8731 8.9829 9.0154 9.3532 9.3763 9.8954 9.9001 13.4240 13.4410 14.1399 14.1527 14.2098 14.2235 15.2673 15.2751 k = 0.0000 0.5000 0.2775 ( 2732 PWs) bands (ev): -45.9840 -45.9840 -22.7197 -22.7187 -22.0871 -22.0863 -22.0438 -22.0425 -14.2466 -14.2466 -6.4386 -6.4348 -5.7327 -5.7302 -5.7187 -5.7155 -0.8193 -0.7936 1.0143 1.0298 1.2011 1.2214 6.3046 6.3084 6.8005 6.8041 7.1927 7.2052 7.6630 7.6661 7.8693 7.9019 8.8491 8.8663 9.0166 9.0431 9.3426 9.3647 9.9376 9.9421 13.4812 13.4980 14.1433 14.1540 14.2279 14.2396 15.2796 15.2875 k = 0.0000 0.5000 0.2901 ( 2734 PWs) bands (ev): -45.9840 -45.9840 -22.7203 -22.7192 -22.0872 -22.0864 -22.0451 -22.0438 -14.2435 -14.2434 -6.4176 -6.4136 -5.7395 -5.7366 -5.7188 -5.7140 -0.8238 -0.7987 1.0013 1.0153 1.2011 1.2227 6.2980 6.3015 6.7481 6.7508 7.1373 7.1485 7.6633 7.6669 7.8421 7.8717 8.8448 8.8578 9.0504 9.0725 9.3362 9.3576 9.9770 9.9813 13.5381 13.5546 14.1463 14.1553 14.2471 14.2571 15.2898 15.2978 k = 0.0000 0.5000 0.3027 ( 2734 PWs) bands (ev): -45.9839 -45.9839 -22.7208 -22.7197 -22.0874 -22.0865 -22.0463 -22.0450 -14.2404 -14.2404 -6.3967 -6.3926 -5.7478 -5.7448 -5.7168 -5.7115 -0.8282 -0.8037 0.9883 1.0012 1.2017 1.2241 6.2909 6.2941 6.6982 6.7001 7.0824 7.0925 7.6633 7.6676 7.8156 7.8422 8.8378 8.8477 9.0833 9.1027 9.3338 9.3550 10.0136 10.0178 13.5941 13.6103 14.1488 14.1564 14.2671 14.2758 15.2980 15.3060 k = 0.0000 0.5000 0.3153 ( 2736 PWs) bands (ev): -45.9839 -45.9839 -22.7212 -22.7203 -22.0875 -22.0867 -22.0474 -22.0462 -14.2374 -14.2374 -6.3760 -6.3719 -5.7564 -5.7533 -5.7143 -5.7089 -0.8324 -0.8087 0.9756 0.9874 1.2028 1.2257 6.2831 6.2861 6.6511 6.6524 7.0287 7.0377 7.6627 7.6681 7.7904 7.8138 8.8284 8.8359 9.1147 9.1330 9.3354 9.3570 10.0476 10.0516 13.6490 13.6649 14.1509 14.1576 14.2877 14.2954 15.3045 15.3125 k = 0.0000 0.5000 0.3280 ( 2732 PWs) bands (ev): -45.9838 -45.9838 -22.7217 -22.7207 -22.0877 -22.0869 -22.0485 -22.0473 -14.2345 -14.2345 -6.3558 -6.3516 -5.7648 -5.7617 -5.7120 -5.7065 -0.8363 -0.8136 0.9633 0.9742 1.2044 1.2273 6.2746 6.2774 6.6067 6.6078 6.9770 6.9849 7.6612 7.6679 7.7671 7.7870 8.8170 8.8228 9.1441 9.1629 9.3404 9.3632 10.0789 10.0828 13.7025 13.7180 14.1529 14.1586 14.3087 14.3155 15.3093 15.3173 k = 0.0000 0.5000 0.3406 ( 2728 PWs) bands (ev): -45.9838 -45.9838 -22.7221 -22.7212 -22.0878 -22.0870 -22.0495 -22.0483 -14.2317 -14.2317 -6.3360 -6.3319 -5.7729 -5.7699 -5.7097 -5.7044 -0.8400 -0.8184 0.9515 0.9616 1.2063 1.2289 6.2652 6.2678 6.5653 6.5667 6.9276 6.9346 7.6581 7.6668 7.7464 7.7624 8.8041 8.8085 9.1716 9.1917 9.3486 9.3729 10.1076 10.1114 13.7542 13.7692 14.1546 14.1597 14.3299 14.3360 15.3128 15.3207 k = 0.0000 0.5000 0.3532 ( 2738 PWs) bands (ev): -45.9838 -45.9838 -22.7226 -22.7217 -22.0880 -22.0873 -22.0505 -22.0494 -14.2290 -14.2290 -6.3169 -6.3128 -5.7807 -5.7777 -5.7078 -5.7025 -0.8435 -0.8231 0.9402 0.9496 1.2085 1.2305 6.2548 6.2572 6.5271 6.5292 6.8812 6.8872 7.6524 7.6637 7.7295 7.7410 8.7902 8.7935 9.1972 9.2188 9.3595 9.3852 10.1338 10.1374 13.8038 13.8183 14.1561 14.1607 14.3510 14.3564 15.3150 15.3227 k = 0.0000 0.5000 0.3658 ( 2738 PWs) bands (ev): -45.9837 -45.9837 -22.7230 -22.7222 -22.0882 -22.0875 -22.0513 -22.0503 -14.2265 -14.2265 -6.2987 -6.2946 -5.7881 -5.7852 -5.7060 -5.7009 -0.8466 -0.8276 0.9297 0.9383 1.2109 1.2320 6.2433 6.2456 6.4925 6.4952 6.8381 6.8431 7.6434 7.6574 7.7171 7.7244 8.7758 8.7782 9.2209 9.2438 9.3726 9.3993 10.1575 10.1609 13.8510 13.8650 14.1575 14.1616 14.3717 14.3765 15.3161 15.3236 k = 0.0000 0.5000 0.3784 ( 2740 PWs) bands (ev): -45.9837 -45.9837 -22.7234 -22.7226 -22.0884 -22.0877 -22.0521 -22.0512 -14.2241 -14.2241 -6.2813 -6.2774 -5.7951 -5.7922 -5.7045 -5.6996 -0.8495 -0.8318 0.9199 0.9278 1.2135 1.2334 6.2307 6.2331 6.4616 6.4649 6.7985 6.8027 7.6314 7.6469 7.7092 7.7135 8.7613 8.7631 9.2429 9.2664 9.3873 9.4143 10.1788 10.1820 13.8955 13.9088 14.1587 14.1626 14.3917 14.3961 15.3164 15.3236 k = 0.0000 0.5000 0.3910 ( 2738 PWs) bands (ev): -45.9837 -45.9837 -22.7237 -22.7230 -22.0885 -22.0879 -22.0529 -22.0520 -14.2220 -14.2219 -6.2650 -6.2613 -5.8015 -5.7987 -5.7033 -5.6986 -0.8520 -0.8359 0.9109 0.9181 1.2161 1.2347 6.2172 6.2196 6.4344 6.4381 6.7629 6.7663 7.6176 7.6331 7.7047 7.7077 8.7471 8.7485 9.2632 9.2864 9.4030 9.4294 10.1979 10.2009 13.9370 13.9496 14.1598 14.1634 14.4109 14.4148 15.3159 15.3227 k = 0.0000 0.5000 0.4036 ( 2728 PWs) bands (ev): -45.9836 -45.9836 -22.7239 -22.7233 -22.0886 -22.0880 -22.0534 -22.0527 -14.2200 -14.2199 -6.2500 -6.2464 -5.8073 -5.8046 -5.7022 -5.6979 -0.8542 -0.8397 0.9029 0.9093 1.2188 1.2358 6.2033 6.2057 6.4110 6.4149 6.7312 6.7339 7.6034 7.6178 7.7025 7.7048 8.7335 8.7347 9.2817 9.3039 9.4191 9.4442 10.2147 10.2174 13.9751 13.9869 14.1607 14.1643 14.4289 14.4324 15.3149 15.3213 k = 0.0000 0.5000 0.4163 ( 2726 PWs) bands (ev): -45.9836 -45.9836 -22.7242 -22.7236 -22.0888 -22.0882 -22.0540 -22.0533 -14.2182 -14.2181 -6.2362 -6.2329 -5.8125 -5.8100 -5.7014 -5.6974 -0.8561 -0.8432 0.8957 0.9014 1.2214 1.2367 6.1892 6.1915 6.3910 6.3949 6.7036 6.7057 7.5899 7.6027 7.7016 7.7035 8.7210 8.7219 9.2985 9.3189 9.4350 9.4580 10.2294 10.2318 14.0096 14.0206 14.1615 14.1651 14.4456 14.4486 15.3136 15.3194 k = 0.0000 0.5000 0.4289 ( 2724 PWs) bands (ev): -45.9836 -45.9836 -22.7244 -22.7239 -22.0889 -22.0884 -22.0544 -22.0538 -14.2166 -14.2166 -6.2240 -6.2210 -5.8170 -5.8148 -5.7007 -5.6972 -0.8575 -0.8464 0.8895 0.8944 1.2240 1.2373 6.1757 6.1778 6.3743 6.3780 6.6801 6.6817 7.5776 7.5886 7.7014 7.7030 8.7097 8.7105 9.3134 9.3316 9.4500 9.4704 10.2420 10.2441 14.0402 14.0503 14.1622 14.1658 14.4605 14.4631 15.3121 15.3173 k = 0.0000 0.5000 0.4415 ( 2724 PWs) bands (ev): -45.9836 -45.9836 -22.7246 -22.7242 -22.0890 -22.0886 -22.0548 -22.0543 -14.2152 -14.2152 -6.2133 -6.2107 -5.8209 -5.8189 -5.7002 -5.6972 -0.8587 -0.8493 0.8842 0.8884 1.2264 1.2377 6.1632 6.1651 6.3605 6.3639 6.6605 6.6617 7.5669 7.5761 7.7016 7.7029 8.6998 8.7005 9.3264 9.3420 9.4636 9.4811 10.2525 10.2544 14.0667 14.0758 14.1628 14.1665 14.4736 14.4758 15.3105 15.3150 k = 0.0000 0.5000 0.4541 ( 2724 PWs) bands (ev): -45.9836 -45.9836 -22.7248 -22.7244 -22.0891 -22.0887 -22.0551 -22.0547 -14.2141 -14.2141 -6.2043 -6.2022 -5.8241 -5.8224 -5.6997 -5.6972 -0.8594 -0.8519 0.8800 0.8834 1.2286 1.2378 6.1523 6.1538 6.3496 6.3524 6.6448 6.6457 7.5581 7.5654 7.7020 7.7030 8.6915 8.6921 9.3375 9.3502 9.4756 9.4898 10.2611 10.2626 14.0888 14.0969 14.1634 14.1672 14.4847 14.4864 15.3091 15.3128 k = 0.0000 0.5000 0.4667 ( 2724 PWs) bands (ev): -45.9835 -45.9835 -22.7249 -22.7246 -22.0891 -22.0889 -22.0554 -22.0551 -14.2132 -14.2132 -6.1972 -6.1955 -5.8265 -5.8252 -5.6994 -5.6974 -0.8598 -0.8541 0.8768 0.8793 1.2307 1.2377 6.1433 6.1445 6.3413 6.3435 6.6328 6.6334 7.5513 7.5568 7.7024 7.7031 8.6850 8.6854 9.3465 9.3562 9.4856 9.4964 10.2678 10.2689 14.1063 14.1131 14.1640 14.1677 14.4935 14.4948 15.3080 15.3108 k = 0.0000 0.5000 0.4793 ( 2724 PWs) bands (ev): -45.9835 -45.9835 -22.7249 -22.7248 -22.0891 -22.0890 -22.0555 -22.0553 -14.2126 -14.2126 -6.1919 -6.1908 -5.8281 -5.8273 -5.6990 -5.6977 -0.8598 -0.8560 0.8746 0.8763 1.2325 1.2372 6.1368 6.1376 6.3355 6.3370 6.6244 6.6248 7.5466 7.5503 7.7028 7.7032 8.6803 8.6806 9.3535 9.3600 9.4934 9.5007 10.2726 10.2734 14.1192 14.1244 14.1648 14.1679 14.4999 14.5008 15.3073 15.3092 k = 0.0000 0.5000 0.4919 ( 2730 PWs) bands (ev): -45.9835 -45.9835 -22.7250 -22.7249 -22.0892 -22.0891 -22.0556 -22.0555 -14.2122 -14.2122 -6.1886 -6.1881 -5.8290 -5.8286 -5.6987 -5.6980 -0.8594 -0.8575 0.8735 0.8743 1.2341 1.2365 6.1328 6.1332 6.3322 6.3329 6.6194 6.6196 7.5441 7.5460 7.7030 7.7033 8.6774 8.6776 9.3584 9.3616 9.4989 9.5025 10.2756 10.2759 14.1276 14.1304 14.1658 14.1676 14.5039 14.5044 15.3070 15.3080 k = 0.0000 0.5000 0.5046 ( 2728 PWs) bands (ev): -45.9835 -45.9835 -22.7250 -22.7250 -22.0891 -22.0891 -22.0556 -22.0556 -14.2121 -14.2121 -6.1873 -6.1873 -5.8292 -5.8292 -5.6983 -5.6983 -0.8586 -0.8586 0.8734 0.8734 1.2354 1.2354 6.1316 6.1316 6.3313 6.3313 6.6178 6.6178 7.5439 7.5439 7.7032 7.7032 8.6765 8.6765 9.3611 9.3611 9.5019 9.5019 10.2767 10.2767 14.1314 14.1314 14.1669 14.1669 14.5054 14.5054 15.3072 15.3072 k = 0.0000 0.5000 0.5046 ( 2728 PWs) bands (ev): -45.9835 -45.9835 -22.7250 -22.7250 -22.0891 -22.0891 -22.0556 -22.0556 -14.2121 -14.2121 -6.1873 -6.1873 -5.8292 -5.8292 -5.6983 -5.6983 -0.8586 -0.8586 0.8734 0.8734 1.2354 1.2354 6.1316 6.1316 6.3313 6.3313 6.6178 6.6178 7.5439 7.5439 7.7032 7.7032 8.6765 8.6765 9.3611 9.3611 9.5019 9.5019 10.2767 10.2767 14.1314 14.1314 14.1669 14.1669 14.5054 14.5054 15.3072 15.3072 k = 0.0128 0.5000 0.5046 ( 2728 PWs) bands (ev): -45.9835 -45.9835 -22.7250 -22.7249 -22.0892 -22.0891 -22.0556 -22.0556 -14.2120 -14.2120 -6.1866 -6.1865 -5.8289 -5.8289 -5.6982 -5.6980 -0.8610 -0.8585 0.8720 0.8723 1.2315 1.2351 6.1316 6.1316 6.3340 6.3348 6.6178 6.6178 7.5448 7.5449 7.7037 7.7043 8.6717 8.6720 9.3621 9.3623 9.5025 9.5028 10.2768 10.2768 14.1319 14.1325 14.1669 14.1678 14.5058 14.5058 15.3121 15.3131 k = 0.0256 0.5000 0.5046 ( 2728 PWs) bands (ev): -45.9835 -45.9835 -22.7251 -22.7250 -22.0892 -22.0891 -22.0558 -22.0557 -14.2117 -14.2117 -6.1842 -6.1841 -5.8281 -5.8281 -5.6975 -5.6971 -0.8655 -0.8605 0.8681 0.8687 1.2233 1.2305 6.1316 6.1317 6.3427 6.3443 6.6178 6.6179 7.5477 7.5479 7.7059 7.7071 8.6575 8.6581 9.3654 9.3659 9.5045 9.5051 10.2771 10.2771 14.1340 14.1351 14.1678 14.1696 14.5069 14.5070 15.3277 15.3298 k = 0.0383 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9835 -45.9835 -22.7252 -22.7251 -22.0893 -22.0891 -22.0560 -22.0560 -14.2112 -14.2112 -6.1803 -6.1801 -5.8268 -5.8268 -5.6964 -5.6957 -0.8721 -0.8647 0.8618 0.8626 1.2109 1.2217 6.1316 6.1317 6.3574 6.3598 6.6179 6.6179 7.5523 7.5527 7.7096 7.7114 8.6342 8.6351 9.3710 9.3716 9.5079 9.5088 10.2776 10.2776 14.1377 14.1394 14.1698 14.1723 14.5088 14.5089 15.3538 15.3568 k = 0.0511 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9835 -45.9835 -22.7254 -22.7252 -22.0894 -22.0892 -22.0563 -22.0563 -14.2105 -14.2105 -6.1748 -6.1745 -5.8250 -5.8250 -5.6947 -5.6938 -0.8809 -0.8710 0.8530 0.8541 1.1945 1.2087 6.1316 6.1318 6.3779 6.3809 6.6179 6.6179 7.5586 7.5592 7.7149 7.7174 8.6023 8.6035 9.3787 9.3796 9.5127 9.5138 10.2784 10.2784 14.1429 14.1452 14.1730 14.1762 14.5115 14.5115 15.3898 15.3936 k = 0.0639 0.5000 0.5046 ( 2736 PWs) bands (ev): -45.9835 -45.9835 -22.7256 -22.7254 -22.0895 -22.0892 -22.0567 -22.0567 -14.2096 -14.2096 -6.1677 -6.1674 -5.8227 -5.8226 -5.6925 -5.6914 -0.8916 -0.8794 0.8420 0.8433 1.1743 1.1919 6.1317 6.1319 6.4040 6.4076 6.6180 6.6180 7.5665 7.5672 7.7218 7.7249 8.5624 8.5637 9.3886 9.3897 9.5190 9.5203 10.2794 10.2794 14.1496 14.1526 14.1775 14.1811 14.5149 14.5149 15.4351 15.4396 k = 0.0767 0.5000 0.5046 ( 2738 PWs) bands (ev): -45.9835 -45.9835 -22.7259 -22.7256 -22.0897 -22.0893 -22.0571 -22.0571 -14.2085 -14.2085 -6.1592 -6.1588 -5.8198 -5.8198 -5.6899 -5.6885 -0.9043 -0.8898 0.8286 0.8303 1.1506 1.1713 6.1317 6.1319 6.4354 6.4394 6.6180 6.6181 7.5755 7.5765 7.7302 7.7339 8.5150 8.5164 9.4005 9.4019 9.5267 9.5282 10.2805 10.2805 14.1578 14.1614 14.1835 14.1874 14.5189 14.5190 15.4891 15.4941 k = 0.0894 0.5000 0.5046 ( 2738 PWs) bands (ev): -45.9835 -45.9835 -22.7262 -22.7258 -22.0899 -22.0894 -22.0576 -22.0576 -14.2072 -14.2072 -6.1492 -6.1487 -5.8165 -5.8164 -5.6868 -5.6852 -0.9189 -0.9021 0.8132 0.8151 1.1236 1.1473 6.1317 6.1320 6.4718 6.4760 6.6181 6.6183 7.5856 7.5868 7.7401 7.7444 8.4609 8.4625 9.4146 9.4161 9.5360 9.5376 10.2819 10.2819 14.1675 14.1717 14.1910 14.1951 14.5237 14.5238 15.5507 15.5562 k = 0.1022 0.5000 0.5046 ( 2740 PWs) bands (ev): -45.9834 -45.9834 -22.7265 -22.7261 -22.0901 -22.0896 -22.0582 -22.0582 -14.2058 -14.2058 -6.1379 -6.1373 -5.8128 -5.8126 -5.6832 -5.6814 -0.9351 -0.9164 0.7957 0.7980 1.0935 1.1200 6.1317 6.1320 6.5129 6.5169 6.6183 6.6186 7.5962 7.5979 7.7513 7.7563 8.4009 8.4025 9.4306 9.4323 9.5469 9.5486 10.2834 10.2835 14.1785 14.1834 14.2002 14.2042 14.5292 14.5293 15.6191 15.6250 k = 0.1150 0.5000 0.5046 ( 2740 PWs) bands (ev): -45.9834 -45.9834 -22.7269 -22.7264 -22.0903 -22.0897 -22.0588 -22.0588 -14.2042 -14.2042 -6.1251 -6.1245 -5.8085 -5.8084 -5.6792 -5.6772 -0.9530 -0.9323 0.7764 0.7789 1.0608 1.0900 6.1317 6.1320 6.5581 6.5615 6.6184 6.6192 7.6072 7.6093 7.7638 7.7695 8.3359 8.3375 9.4485 9.4504 9.5595 9.5612 10.2852 10.2852 14.1909 14.1964 14.2110 14.2149 14.5352 14.5354 15.6934 15.6995 k = 0.1278 0.5000 0.5046 ( 2742 PWs) bands (ev): -45.9834 -45.9834 -22.7272 -22.7267 -22.0906 -22.0899 -22.0595 -22.0594 -14.2024 -14.2024 -6.1112 -6.1104 -5.8039 -5.8037 -5.6747 -5.6726 -0.9725 -0.9499 0.7553 0.7582 1.0258 1.0573 6.1316 6.1320 6.6057 6.6068 6.6189 6.6239 7.6180 7.6207 7.7774 7.7837 8.2669 8.2684 9.4684 9.4704 9.5738 9.5756 10.2871 10.2871 14.2046 14.2107 14.2234 14.2271 14.5419 14.5422 15.7726 15.7788 k = 0.1405 0.5000 0.5046 ( 2742 PWs) bands (ev): -45.9834 -45.9834 -22.7277 -22.7271 -22.0908 -22.0901 -22.0602 -22.0601 -14.2005 -14.2005 -6.0960 -6.0952 -5.7989 -5.7987 -5.6699 -5.6675 -0.9932 -0.9690 0.7327 0.7359 0.9888 1.0224 6.1314 6.1318 6.6168 6.6186 6.6596 6.6647 7.6281 7.6316 7.7919 7.7988 8.1949 8.1964 9.4900 9.4921 9.5900 9.5918 10.2891 10.2892 14.2196 14.2262 14.2373 14.2409 14.5492 14.5494 15.8557 15.8619 k = 0.1533 0.5000 0.5046 ( 2736 PWs) bands (ev): -45.9833 -45.9833 -22.7281 -22.7274 -22.0911 -22.0904 -22.0609 -22.0608 -14.1985 -14.1984 -6.0797 -6.0789 -5.7935 -5.7933 -5.6647 -5.6622 -1.0152 -0.9895 0.7087 0.7122 0.9500 0.9856 6.1311 6.1316 6.6178 6.6188 6.7147 6.7183 7.6369 7.6412 7.8067 7.8144 8.1217 8.1229 9.5134 9.5155 9.6082 9.6101 10.2913 10.2914 14.2359 14.2428 14.2528 14.2562 14.5569 14.5573 15.9416 15.9478 k = 0.1661 0.5000 0.5046 ( 2736 PWs) bands (ev): -45.9833 -45.9833 -22.7285 -22.7279 -22.0915 -22.0907 -22.0616 -22.0615 -14.1963 -14.1963 -6.0625 -6.0615 -5.7878 -5.7875 -5.6592 -5.6565 -1.0383 -1.0112 0.6834 0.6873 0.9100 0.9473 6.1307 6.1311 6.6183 6.6191 6.7721 6.7745 7.6433 7.6485 7.8208 7.8296 8.0495 8.0503 9.5384 9.5405 9.6285 9.6305 10.2936 10.2938 14.2533 14.2605 14.2695 14.2728 14.5652 14.5656 16.0293 16.0355 k = 0.1789 0.5000 0.5046 ( 2738 PWs) bands (ev): -45.9833 -45.9833 -22.7290 -22.7283 -22.0919 -22.0910 -22.0624 -22.0623 -14.1940 -14.1940 -6.0443 -6.0432 -5.7818 -5.7815 -5.6534 -5.6505 -1.0622 -1.0340 0.6572 0.6614 0.8689 0.9077 6.1301 6.1305 6.6187 6.6194 6.8314 6.8324 7.6455 7.6513 7.8320 7.8426 7.9828 7.9830 9.5647 9.5668 9.6510 9.6531 10.2961 10.2963 14.2719 14.2792 14.2874 14.2907 14.5739 14.5743 16.1179 16.1240 k = 0.1917 0.5000 0.5046 ( 2740 PWs) bands (ev): -45.9832 -45.9832 -22.7295 -22.7288 -22.0923 -22.0914 -22.0631 -22.0630 -14.1917 -14.1917 -6.0253 -6.0242 -5.7756 -5.7751 -5.6473 -5.6442 -1.0869 -1.0577 0.6301 0.6346 0.8272 0.8672 6.1292 6.1297 6.6190 6.6196 6.8914 6.8919 7.6395 7.6456 7.8330 7.8466 7.9319 7.9336 9.5924 9.5944 9.6758 9.6780 10.2986 10.2989 14.2916 14.2988 14.3064 14.3097 14.5829 14.5835 16.2062 16.2123 k = 0.2044 0.5000 0.5046 ( 2736 PWs) bands (ev): -45.9832 -45.9832 -22.7300 -22.7293 -22.0928 -22.0918 -22.0639 -22.0637 -14.1893 -14.1892 -6.0056 -6.0044 -5.7691 -5.7686 -5.6409 -5.6377 -1.1122 -1.0822 0.6023 0.6072 0.7850 0.8260 6.1280 6.1285 6.6194 6.6200 6.9509 6.9532 7.6187 7.6243 7.8155 7.8304 7.9160 7.9168 9.6213 9.6231 9.7029 9.7052 10.3013 10.3015 14.3122 14.3193 14.3264 14.3297 14.5924 14.5930 16.2931 16.2992 k = 0.2172 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9832 -45.9832 -22.7305 -22.7298 -22.0933 -22.0922 -22.0646 -22.0644 -14.1868 -14.1868 -5.9853 -5.9841 -5.7624 -5.7618 -5.6343 -5.6311 -1.1379 -1.1073 0.5740 0.5794 0.7428 0.7846 6.1265 6.1271 6.6198 6.6203 7.0104 7.0146 7.5776 7.5822 7.7956 7.8115 7.9225 7.9237 9.6512 9.6527 9.7321 9.7346 10.3039 10.3043 14.3336 14.3405 14.3471 14.3505 14.6021 14.6028 16.3776 16.3838 k = 0.2300 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9831 -45.9831 -22.7310 -22.7303 -22.0939 -22.0928 -22.0653 -22.0650 -14.1842 -14.1842 -5.9646 -5.9633 -5.7556 -5.7549 -5.6276 -5.6242 -1.1638 -1.1328 0.5455 0.5513 0.7007 0.7431 6.1246 6.1251 6.6202 6.6206 7.0692 7.0757 7.5188 7.5227 7.7865 7.8041 7.9353 7.9377 9.6820 9.6833 9.7635 9.7661 10.3067 10.3071 14.3558 14.3623 14.3685 14.3721 14.6121 14.6128 16.4585 16.4648 k = 0.2428 0.5000 0.5046 ( 2730 PWs) bands (ev): -45.9831 -45.9831 -22.7316 -22.7308 -22.0945 -22.0933 -22.0659 -22.0657 -14.1817 -14.1817 -5.9436 -5.9422 -5.7487 -5.7479 -5.6208 -5.6173 -1.1898 -1.1586 0.5169 0.5230 0.6591 0.7018 6.1222 6.1228 6.6206 6.6210 7.1266 7.1355 7.4505 7.4537 7.7861 7.8058 7.9502 7.9531 9.7136 9.7147 9.7967 9.7994 10.3095 10.3100 14.3785 14.3847 14.3905 14.3942 14.6222 14.6230 16.5346 16.5413 k = 0.2555 0.5000 0.5046 ( 2730 PWs) bands (ev): -45.9830 -45.9830 -22.7321 -22.7313 -22.0951 -22.0939 -22.0666 -22.0663 -14.1791 -14.1791 -5.9224 -5.9209 -5.7417 -5.7408 -5.6139 -5.6103 -1.2157 -1.1844 0.4883 0.4949 0.6181 0.6609 6.1192 6.1198 6.6210 6.6214 7.1816 7.1930 7.3789 7.3817 7.7907 7.8127 7.9654 7.9686 9.7460 9.7469 9.8315 9.8343 10.3123 10.3128 14.4015 14.4073 14.4128 14.4167 14.6326 14.6335 16.6050 16.6122 k = 0.2683 0.5000 0.5046 ( 2734 PWs) bands (ev): -45.9830 -45.9830 -22.7327 -22.7319 -22.0957 -22.0946 -22.0672 -22.0669 -14.1765 -14.1765 -5.9011 -5.8996 -5.7347 -5.7337 -5.6069 -5.6033 -1.2413 -1.2103 0.4600 0.4670 0.5780 0.6208 6.1156 6.1162 6.6214 6.6218 7.2294 7.2415 7.3133 7.3139 7.7985 7.8228 7.9802 7.9836 9.7790 9.7797 9.8676 9.8705 10.3151 10.3157 14.4248 14.4301 14.4356 14.4396 14.6430 14.6440 16.6686 16.6764 k = 0.2811 0.5000 0.5046 ( 2728 PWs) bands (ev): -45.9830 -45.9830 -22.7332 -22.7324 -22.0964 -22.0952 -22.0677 -22.0674 -14.1740 -14.1739 -5.8799 -5.8783 -5.7277 -5.7267 -5.5999 -5.5963 -1.2665 -1.2359 0.4321 0.4395 0.5391 0.5816 6.1112 6.1118 6.6218 6.6222 7.2191 7.2193 7.3022 7.3170 7.8086 7.8352 7.9945 7.9979 9.8125 9.8130 9.9046 9.9076 10.3178 10.3186 14.4480 14.4529 14.4585 14.4627 14.6535 14.6545 16.7247 16.7334 k = 0.2939 0.5000 0.5046 ( 2730 PWs) bands (ev): -45.9829 -45.9829 -22.7337 -22.7330 -22.0971 -22.0960 -22.0682 -22.0678 -14.1714 -14.1714 -5.8590 -5.8573 -5.7208 -5.7196 -5.5930 -5.5894 -1.2912 -1.2611 0.4048 0.4127 0.5015 0.5434 6.1061 6.1066 6.6222 6.6225 7.1529 7.1547 7.3441 7.3633 7.8207 7.8495 8.0078 8.0113 9.8464 9.8467 9.9422 9.9451 10.3206 10.3215 14.4709 14.4754 14.4816 14.4859 14.6640 14.6651 16.7728 16.7827 k = 0.3066 0.5000 0.5046 ( 2734 PWs) bands (ev): -45.9829 -45.9829 -22.7342 -22.7335 -22.0978 -22.0967 -22.0686 -22.0683 -14.1690 -14.1690 -5.8384 -5.8366 -5.7141 -5.7127 -5.5862 -5.5826 -1.3151 -1.2858 0.3783 0.3866 0.4653 0.5066 6.1000 6.1005 6.6226 6.6229 7.0861 7.0881 7.3873 7.4093 7.8349 7.8656 8.0203 8.0238 9.8803 9.8805 9.9800 9.9829 10.3232 10.3243 14.4934 14.4975 14.5047 14.5090 14.6746 14.6757 16.8128 16.8240 k = 0.3194 0.5000 0.5046 ( 2736 PWs) bands (ev): -45.9829 -45.9829 -22.7347 -22.7340 -22.0985 -22.0974 -22.0690 -22.0687 -14.1666 -14.1666 -5.8184 -5.8164 -5.7074 -5.7059 -5.5795 -5.5759 -1.3381 -1.3097 0.3527 0.3613 0.4309 0.4713 6.0929 6.0935 6.6230 6.6232 7.0224 7.0243 7.4273 7.4513 7.8512 7.8833 8.0317 8.0353 9.9142 9.9143 10.0176 10.0205 10.3258 10.3270 14.5153 14.5190 14.5276 14.5319 14.6851 14.6862 16.8449 16.8577 k = 0.3322 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9828 -45.9828 -22.7352 -22.7345 -22.0992 -22.0981 -22.0694 -22.0691 -14.1643 -14.1643 -5.7990 -5.7969 -5.7010 -5.6993 -5.5730 -5.5695 -1.3601 -1.3329 0.3281 0.3371 0.3983 0.4376 6.0849 6.0854 6.6234 6.6236 6.9625 6.9644 7.4632 7.4887 7.8698 7.9025 8.0421 8.0458 9.9476 9.9476 10.0547 10.0576 10.3283 10.3297 14.5363 14.5397 14.5502 14.5544 14.6955 14.6967 16.8697 16.8843 k = 0.3450 0.5000 0.5046 ( 2732 PWs) bands (ev): -45.9828 -45.9828 -22.7356 -22.7350 -22.0999 -22.0989 -22.0697 -22.0694 -14.1621 -14.1621 -5.7805 -5.7783 -5.6948 -5.6929 -5.5667 -5.5634 -1.3810 -1.3551 0.3048 0.3141 0.3677 0.4057 6.0759 6.0764 6.6237 6.6238 6.9072 6.9089 7.4949 7.5211 7.8905 7.9230 8.0515 8.0553 9.9803 9.9804 10.0909 10.0938 10.3307 10.3323 14.5564 14.5594 14.5723 14.5763 14.7059 14.7070 16.8881 16.9045 k = 0.3578 0.5000 0.5046 ( 2734 PWs) bands (ev): -45.9828 -45.9828 -22.7361 -22.7355 -22.1006 -22.0996 -22.0700 -22.0697 -14.1600 -14.1600 -5.7629 -5.7605 -5.6889 -5.6868 -5.5607 -5.5575 -1.4006 -1.3761 0.2828 0.2923 0.3393 0.3757 6.0659 6.0664 6.6239 6.6240 6.8567 6.8582 7.5224 7.5483 7.9131 7.9445 8.0600 8.0638 10.0120 10.0122 10.1259 10.1288 10.3330 10.3348 14.5753 14.5780 14.5937 14.5975 14.7161 14.7172 16.9011 16.9194 k = 0.3705 0.5000 0.5046 ( 2738 PWs) bands (ev): -45.9827 -45.9827 -22.7365 -22.7359 -22.1012 -22.1003 -22.0703 -22.0700 -14.1580 -14.1580 -5.7464 -5.7439 -5.6832 -5.6809 -5.5550 -5.5520 -1.4188 -1.3959 0.2622 0.2718 0.3132 0.3478 6.0552 6.0556 6.6241 6.6242 6.8112 6.8126 7.5458 7.5707 7.9369 7.9663 8.0674 8.0715 10.0424 10.0426 10.1592 10.1622 10.3351 10.3372 14.5928 14.5954 14.6142 14.6177 14.7261 14.7272 16.9096 16.9298 k = 0.3833 0.5000 0.5046 ( 2740 PWs) bands (ev): -45.9827 -45.9827 -22.7369 -22.7364 -22.1018 -22.1010 -22.0705 -22.0702 -14.1562 -14.1562 -5.7312 -5.7285 -5.6779 -5.6753 -5.5497 -5.5469 -1.4355 -1.4144 0.2433 0.2528 0.2895 0.3220 6.0438 6.0441 6.6242 6.6242 6.7710 6.7722 7.5656 7.5889 7.9612 7.9880 8.0740 8.0783 10.0712 10.0714 10.1905 10.1936 10.3371 10.3394 14.6090 14.6112 14.6336 14.6368 14.7360 14.7370 16.9146 16.9367 k = 0.3961 0.5000 0.5046 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7372 -22.7368 -22.1024 -22.1016 -22.0707 -22.0704 -14.1545 -14.1545 -5.7175 -5.7145 -5.6728 -5.6700 -5.5448 -5.5422 -1.4506 -1.4314 0.2260 0.2352 0.2684 0.2984 6.0320 6.0323 6.6241 6.6242 6.7360 6.7370 7.5821 7.6033 7.9854 8.0089 8.0798 8.0844 10.0980 10.0982 10.2195 10.2228 10.3389 10.3416 14.6236 14.6255 14.6516 14.6545 14.7455 14.7464 16.9171 16.9408 k = 0.4089 0.5000 0.5046 ( 2746 PWs) bands (ev): -45.9827 -45.9827 -22.7375 -22.7371 -22.1029 -22.1022 -22.0708 -22.0706 -14.1530 -14.1530 -5.7052 -5.7021 -5.6680 -5.6650 -5.5404 -5.5380 -1.4640 -1.4469 0.2105 0.2192 0.2499 0.2772 6.0203 6.0205 6.6237 6.6238 6.7061 6.7069 7.5957 7.6145 8.0086 8.0283 8.0848 8.0899 10.1225 10.1227 10.2459 10.2495 10.3405 10.3437 14.6365 14.6382 14.6681 14.6707 14.7546 14.7553 16.9178 16.9429 k = 0.4216 0.5000 0.5046 ( 2748 PWs) bands (ev): -45.9826 -45.9826 -22.7378 -22.7374 -22.1033 -22.1027 -22.0709 -22.0708 -14.1517 -14.1517 -5.6947 -5.6914 -5.6635 -5.6603 -5.5364 -5.5343 -1.4757 -1.4607 0.1969 0.2049 0.2342 0.2583 6.0089 6.0091 6.6228 6.6231 6.6815 6.6821 7.6069 7.6232 8.0300 8.0457 8.0892 8.0949 10.1445 10.1447 10.2692 10.2733 10.3420 10.3457 14.6477 14.6491 14.6830 14.6852 14.7630 14.7637 16.9176 16.9434 k = 0.4344 0.5000 0.5046 ( 2758 PWs) bands (ev): -45.9826 -45.9826 -22.7381 -22.7378 -22.1037 -22.1032 -22.0711 -22.0709 -14.1506 -14.1506 -5.6859 -5.6827 -5.6591 -5.6559 -5.5329 -5.5311 -1.4855 -1.4727 0.1853 0.1922 0.2212 0.2419 5.9983 5.9985 6.6211 6.6215 6.6622 6.6625 7.6161 7.6297 8.0492 8.0605 8.0930 8.0996 10.1637 10.1638 10.2893 10.2939 10.3433 10.3477 14.6571 14.6583 14.6959 14.6979 14.7707 14.7713 16.9170 16.9428 k = 0.4472 0.5000 0.5046 ( 2764 PWs) bands (ev): -45.9826 -45.9826 -22.7383 -22.7380 -22.1041 -22.1036 -22.0711 -22.0710 -14.1496 -14.1496 -5.6789 -5.6760 -5.6548 -5.6520 -5.5300 -5.5285 -1.4934 -1.4830 0.1757 0.1815 0.2110 0.2280 5.9889 5.9891 6.6179 6.6185 6.6487 6.6487 7.6234 7.6344 8.0653 8.0722 8.0965 8.1041 10.1798 10.1799 10.3058 10.3110 10.3446 10.3496 14.6648 14.6657 14.7069 14.7085 14.7774 14.7779 16.9166 16.9412 k = 0.4600 0.5000 0.5046 ( 2766 PWs) bands (ev): -45.9826 -45.9826 -22.7384 -22.7382 -22.1043 -22.1040 -22.0712 -22.0711 -14.1489 -14.1489 -5.6736 -5.6712 -5.6509 -5.6485 -5.5276 -5.5264 -1.4994 -1.4913 0.1683 0.1728 0.2035 0.2167 5.9811 5.9812 6.6130 6.6136 6.6406 6.6408 7.6292 7.6376 8.0778 8.0807 8.1001 8.1083 10.1927 10.1927 10.3185 10.3241 10.3461 10.3517 14.6708 14.6715 14.7157 14.7169 14.7830 14.7833 16.9169 16.9387 k = 0.4727 0.5000 0.5046 ( 2778 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7384 -22.1045 -22.1043 -22.0713 -22.0713 -14.1483 -14.1483 -5.6699 -5.6682 -5.6476 -5.6459 -5.5258 -5.5250 -1.5034 -1.4978 0.1631 0.1662 0.1987 0.2078 5.9752 5.9753 6.6077 6.6082 6.6368 6.6370 7.6336 7.6394 8.0858 8.0863 8.1043 8.1115 10.2021 10.2022 10.3274 10.3325 10.3485 10.3536 14.6752 14.6756 14.7222 14.7231 14.7871 14.7873 16.9183 16.9353 k = 0.4855 0.5000 0.5046 ( 2780 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1044 -22.0714 -22.0713 -14.1480 -14.1480 -5.6675 -5.6666 -5.6453 -5.6443 -5.5246 -5.5242 -1.5054 -1.5023 0.1600 0.1618 0.1965 0.2016 5.9715 5.9715 6.6038 6.6041 6.6352 6.6353 7.6367 7.6400 8.0896 8.0899 8.1085 8.1131 10.2080 10.2080 10.3329 10.3361 10.3517 10.3549 14.6779 14.6781 14.7264 14.7269 14.7898 14.7899 16.9211 16.9314 k = 0.4983 0.5000 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1045 -22.0714 -22.0714 -14.1478 -14.1478 -5.6665 -5.6663 -5.6441 -5.6439 -5.5240 -5.5239 -1.5055 -1.5048 0.1593 0.1597 0.1969 0.1979 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6387 7.6394 8.0910 8.0911 8.1115 8.1126 10.2103 10.2103 10.3356 10.3363 10.3541 10.3548 14.6790 14.6790 14.7281 14.7282 14.7909 14.7909 16.9250 16.9273 k = 0.4983 0.5000 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1045 -22.0714 -22.0714 -14.1478 -14.1478 -5.6665 -5.6663 -5.6441 -5.6439 -5.5240 -5.5239 -1.5055 -1.5048 0.1593 0.1597 0.1969 0.1979 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6387 7.6394 8.0910 8.0911 8.1115 8.1126 10.2103 10.2103 10.3356 10.3363 10.3541 10.3548 14.6790 14.6790 14.7281 14.7282 14.7909 14.7909 16.9250 16.9273 k = 0.4894 0.4911 0.5046 ( 2780 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7385 -22.1046 -22.1044 -22.0714 -22.0713 -14.1480 -14.1480 -5.6675 -5.6663 -5.6457 -5.6444 -5.5247 -5.5241 -1.5059 -1.5017 0.1599 0.1622 0.1957 0.2025 5.9714 5.9715 6.6041 6.6044 6.6351 6.6353 7.6361 7.6404 8.0889 8.0891 8.1085 8.1143 10.2079 10.2080 10.3325 10.3369 10.3507 10.3551 14.6778 14.6781 14.7262 14.7268 14.7897 14.7899 16.9183 16.9316 k = 0.4805 0.4821 0.5046 ( 2776 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7384 -22.1045 -22.1042 -22.0713 -22.0712 -14.1483 -14.1483 -5.6695 -5.6672 -5.6487 -5.6464 -5.5260 -5.5249 -1.5043 -1.4967 0.1627 0.1669 0.1971 0.2095 5.9750 5.9751 6.6086 6.6092 6.6363 6.6365 7.6323 7.6402 8.0830 8.0844 8.1057 8.1147 10.2023 10.2024 10.3274 10.3357 10.3451 10.3533 14.6750 14.6756 14.7219 14.7231 14.7870 14.7872 16.9117 16.9336 k = 0.4716 0.4732 0.5046 ( 2772 PWs) bands (ev): -45.9826 -45.9826 -22.7385 -22.7382 -22.1044 -22.1039 -22.0713 -22.0711 -14.1489 -14.1489 -5.6726 -5.6695 -5.6527 -5.6496 -5.5279 -5.5263 -1.5008 -1.4898 0.1675 0.1737 0.2012 0.2192 5.9806 5.9807 6.6159 6.6168 6.6381 6.6385 7.6273 7.6389 8.0726 8.0776 8.1033 8.1137 10.1933 10.1934 10.3201 10.3318 10.3383 10.3498 14.6706 14.6715 14.7152 14.7169 14.7827 14.7831 16.9067 16.9345 k = 0.4627 0.4643 0.5046 ( 2756 PWs) bands (ev): -45.9826 -45.9826 -22.7383 -22.7379 -22.1041 -22.1035 -22.0712 -22.0710 -14.1496 -14.1496 -5.6774 -5.6740 -5.6567 -5.6535 -5.5303 -5.5282 -1.4955 -1.4810 0.1743 0.1821 0.2083 0.2315 5.9882 5.9883 6.6259 6.6271 6.6408 6.6413 7.6208 7.6363 8.0587 8.0684 8.1010 8.1117 10.1811 10.1813 10.3104 10.3227 10.3328 10.3449 14.6647 14.6658 14.7062 14.7084 14.7769 14.7774 16.9039 16.9356 k = 0.4538 0.4554 0.5046 ( 2752 PWs) bands (ev): -45.9826 -45.9826 -22.7381 -22.7377 -22.1038 -22.1031 -22.0711 -22.0709 -14.1506 -14.1506 -5.6842 -5.6814 -5.6601 -5.6575 -5.5332 -5.5307 -1.4882 -1.4705 0.1829 0.1915 0.2188 0.2466 5.9977 5.9978 6.6385 6.6397 6.6446 6.6451 7.6129 7.6323 8.0417 8.0570 8.0984 8.1088 10.1658 10.1660 10.2982 10.3098 10.3276 10.3388 14.6573 14.6587 14.6947 14.6975 14.7697 14.7703 16.9040 16.9381 k = 0.4449 0.4464 0.5046 ( 2752 PWs) bands (ev): -45.9827 -45.9827 -22.7379 -22.7374 -22.1034 -22.1026 -22.0710 -22.0708 -14.1517 -14.1517 -5.6935 -5.6917 -5.6628 -5.6613 -5.5366 -5.5337 -1.4792 -1.4583 0.1931 0.2018 0.2330 0.2644 6.0090 6.0090 6.6482 6.6487 6.6548 6.6561 7.6033 7.6269 8.0221 8.0434 8.0954 8.1054 10.1475 10.1477 10.2836 10.2944 10.3215 10.3315 14.6484 14.6500 14.6809 14.6841 14.7611 14.7617 16.9071 16.9426 k = 0.4360 0.4375 0.5046 ( 2752 PWs) bands (ev): -45.9827 -45.9827 -22.7376 -22.7371 -22.1030 -22.1020 -22.0709 -22.0706 -14.1530 -14.1530 -5.7052 -5.7044 -5.6653 -5.6649 -5.5404 -5.5371 -1.4685 -1.4444 0.2049 0.2130 0.2508 0.2849 6.0218 6.0219 6.6537 6.6544 6.6725 6.6741 7.5919 7.6197 8.0005 8.0280 8.0921 8.1015 10.1263 10.1265 10.2668 10.2770 10.3143 10.3233 14.6381 14.6398 14.6647 14.6685 14.7511 14.7518 16.9130 16.9495 k = 0.4271 0.4286 0.5046 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7373 -22.7367 -22.1024 -22.1013 -22.0708 -22.0705 -14.1546 -14.1546 -5.7192 -5.7191 -5.6683 -5.6677 -5.5445 -5.5409 -1.4562 -1.4290 0.2182 0.2251 0.2717 0.3081 6.0361 6.0363 6.6602 6.6609 6.6930 6.6948 7.5785 7.6105 7.9776 8.0113 8.0883 8.0972 10.1024 10.1026 10.2480 10.2578 10.3058 10.3139 14.6262 14.6281 14.6463 14.6505 14.7399 14.7406 16.9217 16.9585 k = 0.4182 0.4196 0.5046 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7370 -22.7363 -22.1019 -22.1007 -22.0707 -22.0703 -14.1563 -14.1563 -5.7359 -5.7350 -5.6717 -5.6702 -5.5489 -5.5450 -1.4423 -1.4122 0.2329 0.2385 0.2956 0.3339 6.0516 6.0519 6.6678 6.6686 6.7161 6.7179 7.5629 7.5990 7.9539 7.9938 8.0843 8.0927 10.0759 10.0761 10.2275 10.2372 10.2961 10.3035 14.6124 14.6148 14.6260 14.6305 14.7275 14.7282 16.9327 16.9695 k = 0.4093 0.4107 0.5046 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7366 -22.7358 -22.1013 -22.0999 -22.0705 -22.0701 -14.1582 -14.1582 -5.7543 -5.7527 -5.6752 -5.6730 -5.5536 -5.5493 -1.4270 -1.3942 0.2490 0.2531 0.3221 0.3621 6.0681 6.0686 6.6768 6.6777 6.7415 6.7433 7.5448 7.5847 7.9303 7.9761 8.0801 8.0879 10.0471 10.0473 10.2056 10.2153 10.2852 10.2918 14.5952 14.5989 14.6054 14.6093 14.7141 14.7147 16.9455 16.9820 k = 0.4004 0.4018 0.5046 ( 2748 PWs) bands (ev): -45.9828 -45.9828 -22.7362 -22.7354 -22.1006 -22.0991 -22.0704 -22.0700 -14.1602 -14.1602 -5.7744 -5.7722 -5.6788 -5.6759 -5.5583 -5.5538 -1.4104 -1.3749 0.2664 0.2690 0.3509 0.3926 6.0853 6.0860 6.6873 6.6882 6.7691 6.7709 7.5241 7.5673 7.9076 7.9589 8.0757 8.0830 10.0162 10.0163 10.1826 10.1924 10.2730 10.2790 14.5721 14.5776 14.5874 14.5900 14.6996 14.7001 16.9594 16.9951 k = 0.3915 0.3929 0.5046 ( 2748 PWs) bands (ev): -45.9828 -45.9828 -22.7358 -22.7348 -22.0998 -22.0982 -22.0702 -22.0698 -14.1625 -14.1625 -5.7959 -5.7933 -5.6825 -5.6790 -5.5632 -5.5584 -1.3926 -1.3545 0.2851 0.2862 0.3820 0.4252 6.1031 6.1040 6.6995 6.7003 6.7988 6.8006 7.5007 7.5463 7.8867 7.9426 8.0713 8.0780 9.9834 9.9834 10.1586 10.1687 10.2595 10.2650 14.5446 14.5512 14.5702 14.5724 14.6841 14.6846 16.9735 17.0082 k = 0.3826 0.3839 0.5046 ( 2748 PWs) bands (ev): -45.9828 -45.9828 -22.7353 -22.7343 -22.0990 -22.0973 -22.0700 -22.0695 -14.1649 -14.1649 -5.8188 -5.8158 -5.6864 -5.6824 -5.5680 -5.5631 -1.3737 -1.3332 0.3047 0.3050 0.4150 0.4597 6.1211 6.1222 6.7136 6.7143 6.8304 6.8321 7.4747 7.5216 7.8682 7.9279 8.0670 8.0730 9.9488 9.9489 10.1339 10.1444 10.2446 10.2496 14.5142 14.5215 14.5526 14.5547 14.6679 14.6683 16.9868 17.0200 k = 0.3737 0.3750 0.5046 ( 2742 PWs) bands (ev): -45.9829 -45.9829 -22.7348 -22.7337 -22.0980 -22.0963 -22.0698 -22.0693 -14.1674 -14.1674 -5.8430 -5.8396 -5.6905 -5.6859 -5.5727 -5.5676 -1.3538 -1.3111 0.3245 0.3261 0.4498 0.4958 6.1390 6.1404 6.7296 6.7303 6.8638 6.8653 7.4462 7.4932 7.8526 7.9150 8.0628 8.0682 9.9128 9.9130 10.1087 10.1197 10.2284 10.2329 14.4814 14.4894 14.5343 14.5364 14.6508 14.6511 16.9979 17.0293 k = 0.3648 0.3661 0.5046 ( 2746 PWs) bands (ev): -45.9829 -45.9829 -22.7342 -22.7331 -22.0971 -22.0953 -22.0696 -22.0690 -14.1701 -14.1701 -5.8684 -5.8647 -5.6947 -5.6897 -5.5774 -5.5721 -1.3330 -1.2883 0.3455 0.3483 0.4860 0.5334 6.1566 6.1582 6.7479 6.7483 6.8987 6.8999 7.4155 7.4616 7.8402 7.9042 8.0589 8.0635 9.8755 9.8760 10.0830 10.0947 10.2107 10.2149 14.4462 14.4548 14.5153 14.5173 14.6331 14.6333 17.0055 17.0346 k = 0.3559 0.3571 0.5046 ( 2750 PWs) bands (ev): -45.9830 -45.9830 -22.7337 -22.7325 -22.0962 -22.0942 -22.0694 -22.0688 -14.1730 -14.1730 -5.8948 -5.8908 -5.6990 -5.6936 -5.5817 -5.5764 -1.3115 -1.2649 0.3676 0.3717 0.5236 0.5722 6.1737 6.1756 6.7684 6.7686 6.9348 6.9357 7.3831 7.4273 7.8308 7.8958 8.0555 8.0592 9.8374 9.8380 10.0571 10.0694 10.1917 10.1954 14.4088 14.4181 14.4957 14.4976 14.6148 14.6149 17.0080 17.0346 k = 0.3470 0.3482 0.5046 ( 2742 PWs) bands (ev): -45.9830 -45.9830 -22.7330 -22.7318 -22.0951 -22.0930 -22.0691 -22.0685 -14.1760 -14.1760 -5.9222 -5.9180 -5.7035 -5.6977 -5.5859 -5.5804 -1.2894 -1.2410 0.3907 0.3960 0.5621 0.6119 6.1901 6.1921 6.7912 6.7913 6.9718 6.9723 7.3495 7.3911 7.8244 7.8898 8.0528 8.0555 9.7986 9.7995 10.0310 10.0440 10.1712 10.1745 14.3692 14.3792 14.4755 14.4774 14.5960 14.5960 17.0039 17.0277 k = 0.3381 0.3393 0.5046 ( 2742 PWs) bands (ev): -45.9830 -45.9830 -22.7324 -22.7311 -22.0940 -22.0919 -22.0689 -22.0682 -14.1791 -14.1791 -5.9505 -5.9460 -5.7081 -5.7020 -5.5896 -5.5841 -1.2668 -1.2168 0.4149 0.4213 0.6015 0.6523 6.2056 6.2078 6.8161 6.8166 7.0094 7.0094 7.3155 7.3539 7.8206 7.8861 8.0510 8.0525 9.7594 9.7606 10.0048 10.0185 10.1492 10.1520 14.3276 14.3382 14.4549 14.4567 14.5767 14.5768 16.9919 17.0129 k = 0.3292 0.3304 0.5046 ( 2742 PWs) bands (ev): -45.9831 -45.9831 -22.7317 -22.7304 -22.0928 -22.0907 -22.0686 -22.0679 -14.1823 -14.1823 -5.9795 -5.9748 -5.7129 -5.7064 -5.5930 -5.5874 -1.2437 -1.1924 0.4400 0.4475 0.6413 0.6930 6.2200 6.2223 6.8434 6.8442 7.0464 7.0471 7.2820 7.3167 7.8193 7.8847 8.0503 8.0504 9.7201 9.7217 9.9785 9.9930 10.1257 10.1281 14.2839 14.2952 14.4340 14.4357 14.5570 14.5572 16.9713 16.9896 k = 0.3203 0.3214 0.5046 ( 2738 PWs) bands (ev): -45.9831 -45.9831 -22.7310 -22.7297 -22.0916 -22.0894 -22.0683 -22.0676 -14.1857 -14.1857 -6.0091 -6.0042 -5.7177 -5.7110 -5.5960 -5.5903 -1.2204 -1.1678 0.4660 0.4745 0.6813 0.7338 6.2334 6.2358 6.8728 6.8741 7.0822 7.0841 7.2502 7.2805 7.8200 7.8853 8.0497 8.0510 9.6811 9.6831 9.9522 9.9673 10.1007 10.1026 14.2383 14.2503 14.4129 14.4145 14.5372 14.5374 16.9417 16.9576 k = 0.3114 0.3125 0.5046 ( 2746 PWs) bands (ev): -45.9832 -45.9832 -22.7303 -22.7290 -22.0905 -22.0882 -22.0681 -22.0674 -14.1891 -14.1891 -6.0393 -6.0343 -5.7226 -5.7157 -5.5985 -5.5928 -1.1969 -1.1432 0.4928 0.5023 0.7212 0.7744 6.2457 6.2482 6.9043 6.9061 7.1143 7.1191 7.2231 7.2474 7.8226 7.8878 8.0506 8.0535 9.6426 9.6450 9.9259 9.9416 10.0742 10.0755 14.1909 14.2036 14.3917 14.3932 14.5171 14.5175 16.9034 16.9173 k = 0.3025 0.3036 0.5046 ( 2742 PWs) bands (ev): -45.9832 -45.9832 -22.7296 -22.7282 -22.0892 -22.0869 -22.0678 -22.0670 -14.1927 -14.1927 -6.0698 -6.0647 -5.7276 -5.7204 -5.6004 -5.5947 -1.1733 -1.1188 0.5202 0.5307 0.7608 0.8146 6.2569 6.2595 6.9375 6.9398 7.1339 7.1469 7.2099 7.2227 7.8266 7.8917 8.0537 8.0582 9.6050 9.6079 9.8995 9.9158 10.0462 10.0469 14.1417 14.1551 14.3706 14.3720 14.4971 14.4975 16.8571 16.8693 k = 0.2936 0.2946 0.5046 ( 2742 PWs) bands (ev): -45.9833 -45.9833 -22.7289 -22.7275 -22.0879 -22.0856 -22.0675 -22.0667 -14.1963 -14.1963 -6.1007 -6.0955 -5.7327 -5.7253 -5.6018 -5.5961 -1.1497 -1.0944 0.5483 0.5597 0.7998 0.8539 6.2672 6.2698 6.9723 6.9750 7.1287 7.1504 7.2232 7.2240 7.8317 7.8967 8.0595 8.0654 9.5685 9.5721 9.8730 9.8897 10.0167 10.0168 14.0910 14.1051 14.3496 14.3509 14.4770 14.4775 16.8036 16.8146 k = 0.2847 0.2857 0.5046 ( 2738 PWs) bands (ev): -45.9833 -45.9833 -22.7281 -22.7267 -22.0866 -22.0842 -22.0671 -22.0664 -14.2000 -14.1999 -6.1318 -6.1265 -5.7378 -5.7303 -5.6025 -5.5969 -1.1262 -1.0704 0.5769 0.5892 0.8379 0.8922 6.2765 6.2792 7.0081 7.0110 7.1107 7.1319 7.2494 7.2514 7.8375 7.9022 8.0685 8.0757 9.5336 9.5379 9.8465 9.8635 9.9849 9.9859 14.0387 14.0535 14.3288 14.3301 14.4571 14.4576 16.7440 16.7541 k = 0.2758 0.2768 0.5046 ( 2734 PWs) bands (ev): -45.9834 -45.9834 -22.7273 -22.7259 -22.0852 -22.0828 -22.0668 -22.0661 -14.2037 -14.2037 -6.1629 -6.1576 -5.7429 -5.7353 -5.6027 -5.5971 -1.1030 -1.0468 0.6059 0.6191 0.8748 0.9292 6.2851 6.2877 7.0439 7.0459 7.0935 7.1107 7.2806 7.2830 7.8436 7.9076 8.0813 8.0892 9.5007 9.5056 9.8198 9.8368 9.9516 9.9536 13.9852 14.0007 14.3084 14.3097 14.4374 14.4379 16.6791 16.6886 k = 0.2669 0.2679 0.5046 ( 2726 PWs) bands (ev): -45.9834 -45.9834 -22.7265 -22.7251 -22.0838 -22.0814 -22.0664 -22.0657 -14.2075 -14.2075 -6.1941 -6.1887 -5.7481 -5.7403 -5.6023 -5.5967 -1.0800 -1.0236 0.6353 0.6494 0.9103 0.9646 6.2930 6.2956 7.0627 7.0729 7.0970 7.0990 7.3123 7.3149 7.8497 7.9128 8.0980 8.1061 9.4699 9.4756 9.7928 9.8097 9.9167 9.9201 13.9305 13.9467 14.2885 14.2897 14.4180 14.4185 16.6099 16.6190 k = 0.2580 0.2589 0.5046 ( 2736 PWs) bands (ev): -45.9835 -45.9835 -22.7258 -22.7244 -22.0825 -22.0801 -22.0661 -22.0654 -14.2113 -14.2113 -6.2252 -6.2198 -5.7532 -5.7454 -5.6012 -5.5956 -1.0574 -1.0009 0.6648 0.6799 0.9443 0.9982 6.3003 6.3029 7.0537 7.0679 7.1248 7.1298 7.3435 7.3462 7.8557 7.9174 8.1187 8.1266 9.4418 9.4484 9.7656 9.7819 9.8803 9.8854 13.8748 13.8916 14.2691 14.2702 14.3989 14.3995 16.5371 16.5460 k = 0.2491 0.2500 0.5046 ( 2740 PWs) bands (ev): -45.9835 -45.9835 -22.7250 -22.7236 -22.0812 -22.0788 -22.0658 -22.0651 -14.2151 -14.2151 -6.2561 -6.2507 -5.7583 -5.7505 -5.5995 -5.5940 -1.0353 -0.9789 0.6945 0.7105 0.9764 1.0298 6.3072 6.3097 7.0448 7.0570 7.1604 7.1661 7.3738 7.3767 7.8613 7.9216 8.1432 8.1504 9.4166 9.4242 9.7380 9.7533 9.8425 9.8498 13.8183 13.8358 14.2504 14.2515 14.3803 14.3809 16.4614 16.4702 k = 0.2403 0.2411 0.5046 ( 2746 PWs) bands (ev): -45.9836 -45.9836 -22.7243 -22.7229 -22.0798 -22.0774 -22.0655 -22.0648 -14.2190 -14.2189 -6.2867 -6.2814 -5.7634 -5.7556 -5.5971 -5.5918 -1.0138 -0.9575 0.7243 0.7411 1.0067 1.0592 6.3137 6.3162 7.0398 7.0501 7.1960 7.2020 7.4033 7.4064 7.8666 7.9254 8.1709 8.1772 9.3948 9.4035 9.7100 9.7235 9.8034 9.8135 13.7613 13.7794 14.2324 14.2334 14.3622 14.3628 16.3835 16.3923 k = 0.2314 0.2321 0.5046 ( 2742 PWs) bands (ev): -45.9837 -45.9837 -22.7235 -22.7221 -22.0784 -22.0761 -22.0652 -22.0645 -14.2228 -14.2228 -6.3170 -6.3117 -5.7685 -5.7607 -5.5942 -5.5889 -0.9928 -0.9370 0.7539 0.7717 1.0348 1.0863 6.3200 6.3224 7.0396 7.0480 7.2304 7.2366 7.4320 7.4354 7.8718 7.9292 8.2014 8.2066 9.3766 9.3865 9.6813 9.6921 9.7630 9.7769 13.7038 13.7225 14.2152 14.2161 14.3447 14.3452 16.3038 16.3126 k = 0.2225 0.2232 0.5046 ( 2746 PWs) bands (ev): -45.9837 -45.9837 -22.7227 -22.7213 -22.0771 -22.0747 -22.0649 -22.0642 -14.2266 -14.2266 -6.3468 -6.3416 -5.7734 -5.7658 -5.5907 -5.5855 -0.9725 -0.9172 0.7834 0.8022 1.0608 1.1110 6.3261 6.3285 7.0443 7.0511 7.2630 7.2693 7.4603 7.4639 7.8770 7.9330 8.2342 8.2380 9.3623 9.3734 9.6518 9.6589 9.7217 9.7403 13.6463 13.6656 14.1988 14.1997 14.3278 14.3283 16.2227 16.2317 k = 0.2136 0.2143 0.5046 ( 2750 PWs) bands (ev): -45.9838 -45.9838 -22.7219 -22.7206 -22.0757 -22.0734 -22.0646 -22.0638 -14.2304 -14.2304 -6.3761 -6.3710 -5.7783 -5.7707 -5.5866 -5.5815 -0.9530 -0.8984 0.8125 0.8323 1.0846 1.1332 6.3321 6.3344 7.0543 7.0597 7.2934 7.2997 7.4880 7.4917 7.8822 7.9371 8.2687 8.2711 9.3521 9.3646 9.6213 9.6234 9.6795 9.7041 13.5889 13.6088 14.1833 14.1842 14.3116 14.3122 16.1407 16.1498 k = 0.2047 0.2054 0.5046 ( 2750 PWs) bands (ev): -45.9838 -45.9838 -22.7212 -22.7199 -22.0744 -22.0721 -22.0642 -22.0635 -14.2342 -14.2342 -6.4048 -6.3997 -5.7831 -5.7757 -5.5820 -5.5770 -0.9343 -0.8805 0.8412 0.8622 1.1063 1.1529 6.3380 6.3403 7.0696 7.0738 7.3214 7.3276 7.5150 7.5188 7.8878 7.9418 8.3047 8.3055 9.3460 9.3600 9.5855 9.5894 9.6371 9.6687 13.5320 13.5523 14.1688 14.1695 14.2962 14.2967 16.0582 16.0674 k = 0.1958 0.1964 0.5046 ( 2746 PWs) bands (ev): -45.9839 -45.9839 -22.7204 -22.7191 -22.0730 -22.0708 -22.0639 -22.0632 -14.2379 -14.2379 -6.4328 -6.4278 -5.7878 -5.7805 -5.5769 -5.5720 -0.9164 -0.8636 0.8694 0.8915 1.1257 1.1702 6.3440 6.3462 7.0901 7.0934 7.3469 7.3531 7.5412 7.5450 7.8938 7.9470 8.3410 8.3419 9.3441 9.3595 9.5451 9.5552 9.5951 9.6338 13.4758 13.4966 14.1552 14.1559 14.2816 14.2821 15.9754 15.9847 k = 0.1869 0.1875 0.5046 ( 2746 PWs) bands (ev): -45.9839 -45.9839 -22.7197 -22.7184 -22.0717 -22.0696 -22.0635 -22.0629 -14.2415 -14.2415 -6.4600 -6.4552 -5.7924 -5.7853 -5.5713 -5.5666 -0.8994 -0.8478 0.8969 0.9203 1.1432 1.1850 6.3499 6.3521 7.1158 7.1183 7.3701 7.3761 7.5662 7.5697 7.9005 7.9531 8.3775 8.3801 9.3461 9.3630 9.5026 9.5177 9.5548 9.5994 13.4206 13.4418 14.1426 14.1431 14.2678 14.2684 15.8927 15.9021 k = 0.1780 0.1786 0.5046 ( 2746 PWs) bands (ev): -45.9840 -45.9840 -22.7189 -22.7177 -22.0704 -22.0684 -22.0632 -22.0626 -14.2451 -14.2451 -6.4865 -6.4818 -5.7969 -5.7899 -5.5654 -5.5608 -0.8834 -0.8331 0.9236 0.9484 1.1586 1.1976 6.3560 6.3581 7.1466 7.1486 7.3912 7.3971 7.5894 7.5926 7.9078 7.9600 8.4149 8.4194 9.3517 9.3700 9.4585 9.4765 9.5166 9.5652 13.3668 13.3883 14.1309 14.1314 14.2549 14.2555 15.8103 15.8199 k = 0.1691 0.1696 0.5046 ( 2746 PWs) bands (ev): -45.9840 -45.9840 -22.7182 -22.7171 -22.0692 -22.0672 -22.0628 -22.0623 -14.2486 -14.2485 -6.5120 -6.5075 -5.8012 -5.7944 -5.5591 -5.5547 -0.8683 -0.8194 0.9494 0.9757 1.1723 1.2080 6.3621 6.3642 7.1823 7.1840 7.4103 7.4162 7.6106 7.6132 7.9159 7.9679 8.4534 8.4598 9.3605 9.3790 9.4140 9.4323 9.4799 9.5308 13.3147 13.3365 14.1202 14.1206 14.2429 14.2436 15.7287 15.7382 k = 0.1602 0.1607 0.5046 ( 2742 PWs) bands (ev): -45.9841 -45.9841 -22.7175 -22.7164 -22.0679 -22.0661 -22.0625 -22.0620 -14.2519 -14.2519 -6.5366 -6.5322 -5.8053 -5.7988 -5.5526 -5.5483 -0.8541 -0.8069 0.9741 1.0021 1.1843 1.2164 6.3682 6.3703 7.2225 7.2241 7.4279 7.4337 7.6292 7.6313 7.9250 7.9768 8.4931 8.5015 9.3623 9.3710 9.3867 9.3967 9.4438 9.4960 13.2646 13.2866 14.1104 14.1107 14.2318 14.2326 15.6479 15.6575 k = 0.1513 0.1518 0.5046 ( 2750 PWs) bands (ev): -45.9841 -45.9841 -22.7169 -22.7158 -22.0668 -22.0651 -22.0621 -22.0617 -14.2552 -14.2552 -6.5602 -6.5560 -5.8093 -5.8030 -5.5458 -5.5417 -0.8410 -0.7955 0.9976 1.0275 1.1950 1.2230 6.3744 6.3764 7.2670 7.2688 7.4440 7.4498 7.6451 7.6464 7.9350 7.9869 8.5341 8.5444 9.3159 9.3385 9.3834 9.4090 9.4097 9.4609 13.2168 13.2389 14.1016 14.1017 14.2217 14.2225 15.5684 15.5780 k = 0.1424 0.1429 0.5046 ( 2746 PWs) bands (ev): -45.9841 -45.9841 -22.7163 -22.7152 -22.0657 -22.0641 -22.0617 -22.0614 -14.2583 -14.2583 -6.5827 -6.5787 -5.8131 -5.8071 -5.5389 -5.5350 -0.8288 -0.7852 1.0197 1.0517 1.2045 1.2281 6.3807 6.3826 7.3155 7.3177 7.4590 7.4648 7.6581 7.6587 7.9461 7.9980 8.5765 8.5886 9.2677 9.2909 9.3666 9.4028 9.4185 9.4315 13.1717 13.1938 14.0935 14.0936 14.2126 14.2135 15.4904 15.4999 k = 0.1335 0.1339 0.5046 ( 2748 PWs) bands (ev): -45.9842 -45.9842 -22.7156 -22.7146 -22.0646 -22.0634 -22.0612 -22.0611 -14.2614 -14.2613 -6.6041 -6.6003 -5.8167 -5.8110 -5.5319 -5.5282 -0.8176 -0.7760 1.0402 1.0745 1.2132 1.2319 6.3869 6.3887 7.3674 7.3702 7.4729 7.4788 7.6681 7.6682 7.9583 8.0104 8.6203 8.6342 9.2191 9.2431 9.3292 9.3859 9.4166 9.4431 13.1295 13.1515 14.0862 14.0865 14.2043 14.2053 15.4142 15.4236 k = 0.1246 0.1250 0.5046 ( 2752 PWs) bands (ev): -45.9842 -45.9842 -22.7151 -22.7141 -22.0637 -22.0627 -22.0608 -22.0607 -14.2642 -14.2642 -6.6243 -6.6207 -5.8201 -5.8147 -5.5249 -5.5214 -0.8074 -0.7679 1.0590 1.0957 1.2212 1.2348 6.3931 6.3948 7.4221 7.4259 7.4863 7.4923 7.6747 7.6755 7.9715 8.0239 8.6654 8.6811 9.1703 9.1955 9.2898 9.3480 9.4309 9.4584 13.0906 13.1123 14.0797 14.0801 14.1970 14.1981 15.3401 15.3494 k = 0.1157 0.1161 0.5046 ( 2752 PWs) bands (ev): -45.9843 -45.9843 -22.7145 -22.7136 -22.0628 -22.0622 -22.0605 -22.0600 -14.2669 -14.2669 -6.6434 -6.6400 -5.8233 -5.8182 -5.5180 -5.5147 -0.7981 -0.7609 1.0760 1.1152 1.2289 1.2370 6.3992 6.4009 7.4781 7.4824 7.5010 7.5063 7.6788 7.6803 7.9859 8.0385 8.7118 8.7291 9.1216 9.1483 9.2490 9.3089 9.4442 9.4728 13.0550 13.0763 14.0739 14.0745 14.1906 14.1918 15.2685 15.2776 k = 0.1068 0.1071 0.5046 ( 2750 PWs) bands (ev): -45.9843 -45.9843 -22.7140 -22.7132 -22.0621 -22.0618 -22.0600 -22.0593 -14.2695 -14.2695 -6.6611 -6.6580 -5.8263 -5.8215 -5.5112 -5.5081 -0.7896 -0.7549 1.0911 1.1326 1.2363 1.2392 6.4052 6.4067 7.5078 7.5127 7.5433 7.5486 7.6808 7.6829 8.0013 8.0543 8.7592 8.7779 9.0733 9.1020 9.2069 9.2687 9.4558 9.4853 13.0231 13.0438 14.0689 14.0696 14.1851 14.1864 15.1997 15.2086 k = 0.0979 0.0982 0.5046 ( 2754 PWs) bands (ev): -45.9843 -45.9843 -22.7135 -22.7128 -22.0615 -22.0615 -22.0595 -22.0587 -14.2719 -14.2719 -6.6776 -6.6747 -5.8290 -5.8246 -5.5046 -5.5018 -0.7821 -0.7498 1.1042 1.1474 1.2416 1.2437 6.4109 6.4124 7.5195 7.5254 7.6026 7.6111 7.6812 7.6834 8.0177 8.0711 8.8073 8.8274 9.0256 9.0567 9.1635 9.2275 9.4650 9.4952 12.9948 13.0147 14.0644 14.0652 14.1805 14.1818 15.1342 15.1426 k = 0.0890 0.0893 0.5046 ( 2750 PWs) bands (ev): -45.9844 -45.9844 -22.7131 -22.7123 -22.0612 -22.0611 -22.0589 -22.0580 -14.2741 -14.2741 -6.6928 -6.6901 -5.8315 -5.8275 -5.4983 -5.4957 -0.7753 -0.7456 1.1154 1.1593 1.2450 1.2512 6.4165 6.4179 7.5301 7.5364 7.6600 7.6750 7.6828 7.6841 8.0350 8.0887 8.8558 8.8771 8.9790 9.0130 9.1190 9.1853 9.4713 9.5021 12.9702 12.9892 14.0606 14.0615 14.1766 14.1780 15.0722 15.0802 k = 0.0801 0.0804 0.5046 ( 2746 PWs) bands (ev): -45.9844 -45.9844 -22.7126 -22.7120 -22.0609 -22.0608 -22.0583 -22.0574 -14.2761 -14.2761 -6.7066 -6.7041 -5.8338 -5.8301 -5.4923 -5.4900 -0.7692 -0.7422 1.1248 1.1680 1.2497 1.2586 6.4217 6.4230 7.5401 7.5467 7.6726 7.6795 7.7311 7.7409 8.0529 8.1070 8.9036 8.9267 8.9344 8.9712 9.0736 9.1424 9.4742 9.5054 12.9493 12.9672 14.0573 14.0583 14.1734 14.1748 15.0142 15.0218 k = 0.0712 0.0714 0.5046 ( 2748 PWs) bands (ev): -45.9844 -45.9844 -22.7122 -22.7117 -22.0607 -22.0605 -22.0577 -22.0569 -14.2779 -14.2779 -6.7190 -6.7168 -5.8358 -5.8325 -5.4868 -5.4847 -0.7638 -0.7397 1.1326 1.1735 1.2556 1.2658 6.4266 6.4277 7.5496 7.5564 7.6694 7.6759 7.7925 7.8062 8.0713 8.1257 8.8887 8.9319 8.9539 8.9746 9.0287 9.0989 9.4735 9.5050 12.9319 12.9485 14.0545 14.0555 14.1708 14.1722 14.9606 14.9676 k = 0.0623 0.0625 0.5046 ( 2752 PWs) bands (ev): -45.9844 -45.9844 -22.7119 -22.7114 -22.0606 -22.0604 -22.0572 -22.0564 -14.2795 -14.2795 -6.7300 -6.7281 -5.8376 -5.8347 -5.4817 -5.4799 -0.7591 -0.7378 1.1391 1.1764 1.2625 1.2727 6.4310 6.4321 7.5587 7.5658 7.6646 7.6712 7.8535 7.8708 8.0898 8.1444 8.8472 8.8955 8.9762 9.0013 9.0287 9.0556 9.4691 9.5005 12.9178 12.9329 14.0522 14.0532 14.1689 14.1702 14.9119 14.9183 k = 0.0534 0.0536 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7116 -22.7112 -22.0604 -22.0602 -22.0567 -22.0560 -14.2810 -14.2810 -6.7395 -6.7379 -5.8391 -5.8366 -5.4772 -5.4756 -0.7549 -0.7365 1.1444 1.1772 1.2697 1.2791 6.4350 6.4359 7.5674 7.5748 7.6589 7.6659 7.9126 7.9337 8.1080 8.1625 8.8082 8.8628 8.9308 9.0112 9.0492 9.0745 9.4607 9.4920 12.9068 12.9201 14.0503 14.0512 14.1674 14.1686 14.8686 14.8743 k = 0.0445 0.0446 0.5046 ( 2762 PWs) bands (ev): -45.9845 -45.9845 -22.7114 -22.7110 -22.0603 -22.0602 -22.0562 -22.0557 -14.2822 -14.2822 -6.7476 -6.7462 -5.8404 -5.8383 -5.4733 -5.4719 -0.7512 -0.7358 1.1490 1.1767 1.2766 1.2847 6.4385 6.4393 7.5758 7.5834 7.6528 7.6601 7.9685 7.9938 8.1251 8.1792 8.7727 8.8343 8.8852 8.9693 9.0942 9.1200 9.4488 9.4795 12.8985 12.9099 14.0487 14.0496 14.1663 14.1674 14.8311 14.8360 k = 0.0356 0.0357 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7111 -22.7108 -22.0602 -22.0600 -22.0558 -22.0553 -14.2832 -14.2832 -6.7542 -6.7531 -5.8414 -5.8397 -5.4699 -5.4689 -0.7480 -0.7356 1.1529 1.1753 1.2828 1.2894 6.4414 6.4420 7.5840 7.5916 7.6464 7.6538 8.0199 8.0495 8.1405 8.1936 8.7421 8.8096 8.8429 8.9289 9.1375 9.1633 9.4336 9.4634 12.8926 12.9019 14.0476 14.0483 14.1656 14.1665 14.7999 14.8039 k = 0.0267 0.0268 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7109 -22.7107 -22.0601 -22.0600 -22.0555 -22.0551 -14.2839 -14.2839 -6.7594 -6.7585 -5.8421 -5.8408 -5.4673 -5.4665 -0.7452 -0.7358 1.1564 1.1732 1.2881 1.2931 6.4438 6.4442 7.5917 7.5994 7.6399 7.6474 8.0652 8.0989 8.1530 8.2043 8.7179 8.7835 8.8121 8.8915 9.1781 9.2030 9.4160 9.4440 12.8887 12.8958 14.0467 14.0473 14.1652 14.1659 14.7752 14.7783 k = 0.0178 0.0179 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7108 -22.7107 -22.0600 -22.0600 -22.0552 -22.0550 -14.2845 -14.2845 -6.7630 -6.7625 -5.8426 -5.8417 -5.4653 -5.4648 -0.7427 -0.7365 1.1597 1.1709 1.2922 1.2955 6.4455 6.4458 7.5992 7.6064 7.6337 7.6408 8.1028 8.1383 8.1628 8.2099 8.7023 8.7517 8.8000 8.8584 9.2147 9.2367 9.3984 9.4226 12.8865 12.8914 14.0461 14.0465 14.1649 14.1654 14.7575 14.7596 k = 0.0089 0.0089 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7107 -22.7106 -22.0600 -22.0599 -22.0551 -22.0550 -14.2848 -14.2848 -6.7651 -6.7649 -5.8427 -5.8423 -5.4641 -5.4638 -0.7407 -0.7375 1.1627 1.1683 1.2951 1.2967 6.4465 6.4467 7.6060 7.6115 7.6291 7.6345 8.1310 8.1546 8.1791 8.2084 8.6974 8.7235 8.8008 8.8313 9.2446 9.2592 9.3858 9.4016 12.8858 12.8883 14.0458 14.0461 14.1648 14.1651 14.7470 14.7481 k = 0.0000 0.0000 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7106 -22.7106 -22.0599 -22.0599 -22.0550 -22.0550 -14.2849 -14.2849 -6.7658 -6.7658 -5.8427 -5.8427 -5.4636 -5.4636 -0.7389 -0.7389 1.1655 1.1655 1.2966 1.2966 6.4470 6.4470 7.6112 7.6112 7.6295 7.6295 8.1487 8.1487 8.1981 8.1981 8.7046 8.7046 8.8116 8.8116 9.2621 9.2621 9.3866 9.3866 12.8864 12.8864 14.0458 14.0458 14.1649 14.1649 14.7439 14.7439 k = 0.0000 0.0000 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7106 -22.7106 -22.0599 -22.0599 -22.0550 -22.0550 -14.2849 -14.2849 -6.7658 -6.7658 -5.8427 -5.8427 -5.4636 -5.4636 -0.7389 -0.7389 1.1655 1.1655 1.2966 1.2966 6.4470 6.4470 7.6112 7.6112 7.6295 7.6295 8.1487 8.1487 8.1981 8.1981 8.7046 8.7046 8.8116 8.8116 9.2621 9.2621 9.3866 9.3866 12.8864 12.8864 14.0458 14.0458 14.1649 14.1649 14.7439 14.7439 k = 0.0000 0.0000 0.4919 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7107 -22.7106 -22.0599 -22.0599 -22.0550 -22.0550 -14.2851 -14.2851 -6.7653 -6.7651 -5.8427 -5.8427 -5.4645 -5.4642 -0.7395 -0.7389 1.1652 1.1652 1.2954 1.2967 6.4491 6.4496 7.6121 7.6121 7.6305 7.6305 8.1473 8.1527 8.1988 8.1996 8.7042 8.7061 8.8112 8.8123 9.2628 9.2641 9.3873 9.3876 12.8861 12.8863 14.0430 14.0438 14.1618 14.1630 14.7437 14.7446 k = 0.0000 0.0000 0.4793 ( 2750 PWs) bands (ev): -45.9845 -45.9845 -22.7106 -22.7104 -22.0597 -22.0596 -22.0550 -22.0549 -14.2857 -14.2857 -6.7637 -6.7633 -5.8429 -5.8429 -5.4670 -5.4663 -0.7407 -0.7396 1.1641 1.1642 1.2932 1.2958 6.4562 6.4572 7.6150 7.6150 7.6337 7.6337 8.1485 8.1592 8.2015 8.2032 8.7049 8.7086 8.8110 8.8132 9.2661 9.2687 9.3896 9.3903 12.8852 12.8858 14.0352 14.0368 14.1538 14.1560 14.7442 14.7459 k = 0.0000 0.0000 0.4667 ( 2748 PWs) bands (ev): -45.9845 -45.9845 -22.7105 -22.7103 -22.0595 -22.0593 -22.0550 -22.0549 -14.2867 -14.2867 -6.7610 -6.7604 -5.8432 -5.8432 -5.4710 -5.4700 -0.7425 -0.7408 1.1624 1.1626 1.2900 1.2939 6.4681 6.4696 7.6197 7.6197 7.6389 7.6390 8.1522 8.1682 8.2065 8.2088 8.7067 8.7123 8.8111 8.8144 9.2718 9.2759 9.3936 9.3947 12.8840 12.8848 14.0226 14.0251 14.1409 14.1441 14.7452 14.7477 k = 0.0000 0.0000 0.4541 ( 2746 PWs) bands (ev): -45.9845 -45.9845 -22.7104 -22.7101 -22.0591 -22.0589 -22.0550 -22.0549 -14.2881 -14.2881 -6.7572 -6.7565 -5.8436 -5.8436 -5.4765 -5.4751 -0.7449 -0.7427 1.1601 1.1603 1.2858 1.2910 6.4847 6.4867 7.6261 7.6262 7.6462 7.6464 8.1583 8.1793 8.2137 8.2165 8.7096 8.7169 8.8116 8.8159 9.2800 9.2857 9.3993 9.4007 12.8822 12.8833 14.0053 14.0085 14.1233 14.1274 14.7467 14.7499 k = 0.0000 0.0000 0.4415 ( 2748 PWs) bands (ev): -45.9845 -45.9845 -22.7102 -22.7098 -22.0586 -22.0584 -22.0551 -22.0549 -14.2899 -14.2898 -6.7524 -6.7514 -5.8441 -5.8440 -5.4833 -5.4817 -0.7479 -0.7452 1.1571 1.1574 1.2807 1.2871 6.5060 6.5086 7.6343 7.6344 7.6555 7.6559 8.1668 8.1923 8.2235 8.2262 8.7137 8.7227 8.8127 8.8179 9.2906 9.2979 9.4065 9.4084 12.8800 12.8814 13.9834 13.9874 14.1011 14.1061 14.7486 14.7524 k = 0.0000 0.0000 0.4289 ( 2746 PWs) bands (ev): -45.9846 -45.9846 -22.7099 -22.7095 -22.0580 -22.0579 -22.0551 -22.0548 -14.2920 -14.2919 -6.7465 -6.7454 -5.8447 -5.8446 -5.4916 -5.4896 -0.7515 -0.7482 1.1535 1.1538 1.2747 1.2822 6.5318 6.5349 7.6442 7.6442 7.6667 7.6674 8.1775 8.2066 8.2361 8.2380 8.7191 8.7296 8.8146 8.8206 9.3033 9.3125 9.4154 9.4178 12.8774 12.8791 13.9570 13.9617 14.0746 14.0803 14.7509 14.7551 k = 0.0000 0.0000 0.4163 ( 2750 PWs) bands (ev): -45.9846 -45.9846 -22.7097 -22.7092 -22.0574 -22.0573 -22.0551 -22.0546 -14.2944 -14.2944 -6.7397 -6.7384 -5.8454 -5.8453 -5.5011 -5.4988 -0.7556 -0.7519 1.1493 1.1497 1.2678 1.2763 6.5621 6.5657 7.6556 7.6556 7.6799 7.6809 8.1903 8.2218 8.2519 8.2519 8.7258 8.7376 8.8174 8.8240 9.3181 9.3295 9.4259 9.4288 12.8744 12.8764 13.9264 13.9318 14.0439 14.0502 14.7533 14.7580 k = 0.0000 0.0000 0.4036 ( 2766 PWs) bands (ev): -45.9846 -45.9846 -22.7095 -22.7089 -22.0569 -22.0568 -22.0551 -22.0544 -14.2972 -14.2971 -6.7320 -6.7306 -5.8462 -5.8461 -5.5118 -5.5092 -0.7602 -0.7561 1.1446 1.1450 1.2600 1.2696 6.5965 6.6008 7.6683 7.6685 7.6949 7.6963 8.2049 8.2375 8.2676 8.2708 8.7339 8.7467 8.8213 8.8285 9.3348 9.3486 9.4379 9.4414 12.8710 12.8733 13.8918 13.8977 14.0093 14.0161 14.7560 14.7609 k = 0.0000 0.0000 0.3910 ( 2758 PWs) bands (ev): -45.9846 -45.9846 -22.7091 -22.7085 -22.0565 -22.0561 -22.0549 -22.0538 -14.3003 -14.3002 -6.7235 -6.7218 -5.8470 -5.8470 -5.5235 -5.5206 -0.7653 -0.7608 1.1394 1.1398 1.2515 1.2620 6.6351 6.6399 7.6823 7.6827 7.7116 7.7135 8.2213 8.2539 8.2854 8.2924 8.7434 8.7569 8.8267 8.8342 9.3533 9.3697 9.4514 9.4556 12.8672 12.8699 13.8534 13.8599 13.9710 13.9783 14.7586 14.7638 k = 0.0000 0.0000 0.3784 ( 2758 PWs) bands (ev): -45.9847 -45.9847 -22.7087 -22.7080 -22.0562 -22.0558 -22.0543 -22.0531 -14.3037 -14.3036 -6.7142 -6.7124 -5.8480 -5.8480 -5.5362 -5.5331 -0.7709 -0.7660 1.1336 1.1341 1.2423 1.2536 6.6774 6.6829 7.6973 7.6982 7.7299 7.7322 8.2394 8.2711 8.3049 8.3163 8.7545 8.7682 8.8337 8.8415 9.3734 9.3927 9.4665 9.4714 12.8631 12.8661 13.8114 13.8184 13.9293 13.9369 14.7613 14.7667 k = 0.0000 0.0000 0.3658 ( 2757 PWs) bands (ev): -45.9847 -45.9847 -22.7083 -22.7075 -22.0561 -22.0558 -22.0533 -22.0521 -14.3074 -14.3073 -6.7042 -6.7022 -5.8491 -5.8491 -5.5498 -5.5464 -0.7769 -0.7717 1.1275 1.1280 1.2323 1.2445 6.7234 6.7295 7.7133 7.7147 7.7498 7.7524 8.2589 8.2893 8.3260 8.3419 8.7672 8.7806 8.8427 8.8505 9.3949 9.4175 9.4830 9.4888 12.8586 12.8620 13.7662 13.7737 13.8844 13.8923 14.7639 14.7694 k = 0.0000 0.0000 0.3532 ( 2753 PWs) bands (ev): -45.9847 -45.9847 -22.7078 -22.7070 -22.0560 -22.0558 -22.0522 -22.0510 -14.3113 -14.3112 -6.6937 -6.6915 -5.8502 -5.8502 -5.5640 -5.5604 -0.7833 -0.7778 1.1209 1.1215 1.2218 1.2346 6.7727 6.7795 7.7301 7.7322 7.7709 7.7740 8.2798 8.3086 8.3487 8.3686 8.7814 8.7939 8.8540 8.8617 9.4177 9.4437 9.5012 9.5078 12.8538 12.8576 13.7181 13.7260 13.8364 13.8446 14.7665 14.7720 k = 0.0000 0.0000 0.3406 ( 2761 PWs) bands (ev): -45.9848 -45.9848 -22.7073 -22.7065 -22.0561 -22.0558 -22.0511 -22.0499 -14.3155 -14.3154 -6.6826 -6.6803 -5.8514 -5.8514 -5.5788 -5.5749 -0.7901 -0.7843 1.1140 1.1146 1.2108 1.2242 6.8250 6.8326 7.7475 7.7504 7.7931 7.7966 8.3020 8.3290 8.3726 8.3961 8.7971 8.8082 8.8680 8.8753 9.4417 9.4712 9.5210 9.5284 12.8487 12.8529 13.6674 13.6756 13.7858 13.7941 14.7689 14.7744 k = 0.0000 0.0000 0.3280 ( 2757 PWs) bands (ev): -45.9848 -45.9848 -22.7068 -22.7060 -22.0561 -22.0559 -22.0497 -22.0486 -14.3198 -14.3197 -6.6712 -6.6687 -5.8527 -5.8526 -5.5940 -5.5899 -0.7972 -0.7912 1.1068 1.1074 1.1993 1.2132 6.8801 6.8885 7.7654 7.7692 7.8163 7.8200 8.3256 8.3506 8.3977 8.4240 8.8141 8.8234 8.8852 8.8914 9.4665 9.4994 9.5427 9.5505 12.8433 12.8480 13.6145 13.6229 13.7327 13.7411 14.7713 14.7767 k = 0.0000 0.0000 0.3153 ( 2757 PWs) bands (ev): -45.9849 -45.9849 -22.7063 -22.7054 -22.0561 -22.0559 -22.0484 -22.0472 -14.3243 -14.3242 -6.6595 -6.6569 -5.8540 -5.8539 -5.6095 -5.6052 -0.8046 -0.7984 1.0993 1.0999 1.1874 1.2016 6.9376 6.9469 7.7835 7.7885 7.8402 7.8442 8.3503 8.3733 8.4236 8.4518 8.8323 8.8394 8.9060 8.9102 9.4921 9.5278 9.5668 9.5743 12.8377 12.8429 13.5598 13.5683 13.6774 13.6859 14.7735 14.7788 k = 0.0000 0.0000 0.3027 ( 2757 PWs) bands (ev): -45.9849 -45.9849 -22.7057 -22.7048 -22.0562 -22.0560 -22.0470 -22.0458 -14.3290 -14.3288 -6.6476 -6.6449 -5.8553 -5.8553 -5.6251 -5.6207 -0.8122 -0.8060 1.0917 1.0922 1.1752 1.1897 6.9971 7.0074 7.8018 7.8080 7.8645 7.8687 8.3763 8.3972 8.4503 8.4795 8.8513 8.8563 8.9306 8.9318 9.5182 9.5556 9.5938 9.5997 12.8317 12.8375 13.5036 13.5121 13.6202 13.6287 14.7755 14.7807 k = 0.0000 0.0000 0.2901 ( 2761 PWs) bands (ev): -45.9849 -45.9849 -22.7052 -22.7043 -22.0563 -22.0561 -22.0455 -22.0443 -14.3337 -14.3336 -6.6357 -6.6328 -5.8567 -5.8566 -5.6406 -5.6361 -0.8201 -0.8137 1.0838 1.0844 1.1628 1.1775 7.0583 7.0698 7.8201 7.8275 7.8890 7.8934 8.4034 8.4223 8.4777 8.5068 8.8711 8.8742 8.9562 8.9592 9.5446 9.5824 9.6238 9.6266 12.8255 12.8320 13.4463 13.4548 13.5613 13.5699 14.7774 14.7824 k = 0.0000 0.0000 0.2775 ( 2769 PWs) bands (ev): -45.9850 -45.9850 -22.7047 -22.7037 -22.0564 -22.0563 -22.0441 -22.0429 -14.3386 -14.3384 -6.6238 -6.6209 -5.8581 -5.8580 -5.6560 -5.6513 -0.8281 -0.8217 1.0759 1.0765 1.1502 1.1649 7.1209 7.1336 7.8381 7.8470 7.9135 7.9180 8.4317 8.4484 8.5055 8.5336 8.8916 8.8930 8.9832 8.9916 9.5712 9.6083 9.6549 9.6565 12.8190 12.8262 13.3885 13.3969 13.5010 13.5096 14.7792 14.7840 k = 0.0000 0.0000 0.2649 ( 2765 PWs) bands (ev): -45.9850 -45.9850 -22.7040 -22.7031 -22.0564 -22.0563 -22.0425 -22.0413 -14.3434 -14.3433 -6.6122 -6.6092 -5.8595 -5.8595 -5.6710 -5.6662 -0.8362 -0.8298 1.0679 1.0685 1.1375 1.1522 7.1843 7.1984 7.8558 7.8663 7.9376 7.9423 8.4611 8.4756 8.5337 8.5601 8.9127 8.9127 9.0128 9.0275 9.5979 9.6337 9.6846 9.6912 12.8122 12.8203 13.3306 13.3386 13.4396 13.4483 14.7808 14.7855 k = 0.0000 0.0000 0.2523 ( 2769 PWs) bands (ev): -45.9851 -45.9851 -22.7035 -22.7025 -22.0565 -22.0564 -22.0410 -22.0398 -14.3483 -14.3482 -6.6008 -6.5977 -5.8609 -5.8609 -5.6855 -5.6807 -0.8443 -0.8380 1.0599 1.0605 1.1248 1.1394 7.2482 7.2638 7.8730 7.8852 7.9612 7.9659 8.4916 8.5039 8.5624 8.5864 8.9333 8.9345 9.0446 9.0666 9.6245 9.6590 9.7155 9.7272 12.8050 12.8142 13.2731 13.2806 13.3775 13.3862 14.7823 14.7868 k = 0.0000 0.0000 0.2397 ( 2769 PWs) bands (ev): -45.9851 -45.9851 -22.7029 -22.7019 -22.0566 -22.0565 -22.0395 -22.0383 -14.3532 -14.3531 -6.5899 -6.5867 -5.8624 -5.8623 -5.6994 -5.6946 -0.8525 -0.8463 1.0520 1.0525 1.1122 1.1266 7.3121 7.3295 7.8897 7.9037 7.9840 7.9887 8.5230 8.5333 8.5915 8.6126 8.9546 8.9567 9.0787 9.1083 9.6510 9.6842 9.7472 9.7640 12.7974 12.8078 13.2166 13.2234 13.3149 13.3236 14.7836 14.7879 k = 0.0000 0.0000 0.2270 ( 2765 PWs) bands (ev): -45.9852 -45.9852 -22.7023 -22.7013 -22.0567 -22.0566 -22.0379 -22.0367 -14.3581 -14.3579 -6.5795 -6.5763 -5.8638 -5.8637 -5.7126 -5.7079 -0.8606 -0.8545 1.0442 1.0447 1.0997 1.1139 7.3755 7.3949 7.9057 7.9217 8.0058 8.0105 8.5553 8.5635 8.6210 8.6388 8.9763 8.9793 9.1147 9.1521 9.6772 9.7094 9.7795 9.8011 12.7892 12.8012 13.1616 13.1675 13.2521 13.2610 14.7849 14.7890 k = 0.0000 0.0000 0.2144 ( 2761 PWs) bands (ev): -45.9852 -45.9852 -22.7017 -22.7008 -22.0567 -22.0567 -22.0363 -22.0352 -14.3628 -14.3627 -6.5696 -6.5665 -5.8652 -5.8651 -5.7250 -5.7203 -0.8687 -0.8627 1.0365 1.0370 1.0874 1.1013 7.4380 7.4596 7.9211 7.9393 8.0264 8.0310 8.5883 8.5946 8.6509 8.6652 8.9984 9.0022 9.1525 9.1978 9.7032 9.7345 9.8120 9.8382 12.7803 12.7941 13.1089 13.1136 13.1896 13.1986 14.7860 14.7899 k = 0.0000 0.0000 0.2018 ( 2757 PWs) bands (ev): -45.9852 -45.9852 -22.7011 -22.7002 -22.0568 -22.0567 -22.0348 -22.0337 -14.3675 -14.3674 -6.5605 -6.5573 -5.8665 -5.8665 -5.7365 -5.7318 -0.8766 -0.8708 1.0289 1.0294 1.0755 1.0889 7.4990 7.5231 7.9359 7.9564 8.0457 8.0502 8.6220 8.6265 8.6811 8.6918 9.0206 9.0250 9.1919 9.2447 9.7288 9.7595 9.8443 9.8746 12.7705 12.7865 13.0591 13.0622 13.1276 13.1370 14.7871 14.7907 k = 0.0000 0.0000 0.1892 ( 2753 PWs) bands (ev): -45.9853 -45.9853 -22.7005 -22.6996 -22.0569 -22.0568 -22.0333 -22.0322 -14.3721 -14.3719 -6.5521 -6.5490 -5.8679 -5.8678 -5.7469 -5.7424 -0.8843 -0.8788 1.0216 1.0221 1.0639 1.0768 7.5581 7.5849 7.9501 7.9732 8.0635 8.0679 8.6561 8.6590 8.7114 8.7187 9.0425 9.0475 9.2326 9.2926 9.7538 9.7843 9.8759 9.9099 12.7595 12.7782 13.0126 13.0142 13.0666 13.0767 14.7880 14.7914 k = 0.0000 0.0000 0.1766 ( 2765 PWs) bands (ev): -45.9853 -45.9853 -22.7000 -22.6992 -22.0570 -22.0569 -22.0319 -22.0309 -14.3765 -14.3763 -6.5445 -6.5414 -5.8692 -5.8691 -5.7564 -5.7520 -0.8918 -0.8865 1.0146 1.0150 1.0527 1.0650 7.6145 7.6442 7.9639 7.9897 8.0799 8.0842 8.6904 8.6919 8.7418 8.7457 9.0640 9.0695 9.2746 9.3411 9.7781 9.8086 9.9063 9.9436 12.7472 12.7689 12.9699 12.9702 13.0069 13.0185 14.7888 14.7921 k = 0.0000 0.0000 0.1640 ( 2765 PWs) bands (ev): -45.9854 -45.9854 -22.6995 -22.6987 -22.0570 -22.0570 -22.0305 -22.0295 -14.3807 -14.3805 -6.5377 -6.5347 -5.8704 -5.8703 -5.7648 -5.7606 -0.8991 -0.8940 1.0079 1.0083 1.0420 1.0537 7.6678 7.7006 7.9776 8.0063 8.0947 8.0990 8.7248 8.7250 8.7719 8.7726 9.0849 9.0908 9.3174 9.3899 9.8017 9.8325 9.9349 9.9749 12.7334 12.7583 12.9297 12.9310 12.9490 12.9647 14.7896 14.7926 k = 0.0000 0.0000 0.1514 ( 2761 PWs) bands (ev): -45.9854 -45.9854 -22.6990 -22.6982 -22.0571 -22.0570 -22.0292 -22.0282 -14.3847 -14.3845 -6.5317 -6.5289 -5.8716 -5.8715 -5.7722 -5.7681 -0.9059 -0.9012 1.0015 1.0019 1.0319 1.0429 7.7172 7.7532 7.9915 8.0230 8.1081 8.1123 8.7580 8.7588 8.7994 8.8016 9.1047 9.1111 9.3612 9.4389 9.8242 9.8557 9.9612 10.0034 12.7183 12.7463 12.8868 12.8919 12.8987 12.9210 14.7903 14.7931 k = 0.0000 0.0000 0.1388 ( 2749 PWs) bands (ev): -45.9854 -45.9854 -22.6985 -22.6978 -22.0571 -22.0571 -22.0278 -22.0269 -14.3884 -14.3883 -6.5265 -6.5238 -5.8727 -5.8726 -5.7785 -5.7747 -0.9124 -0.9080 0.9956 0.9959 1.0224 1.0327 7.7623 7.8011 8.0062 8.0402 8.1200 8.1242 8.7908 8.7924 8.8258 8.8304 9.1234 9.1302 9.4056 9.4878 9.8455 9.8781 9.9847 10.0283 12.7025 12.7327 12.8387 12.8391 12.8704 12.8905 14.7909 14.7935 k = 0.0000 0.0000 0.1261 ( 2745 PWs) bands (ev): -45.9855 -45.9855 -22.6980 -22.6974 -22.0572 -22.0571 -22.0266 -22.0258 -14.3920 -14.3919 -6.5221 -6.5196 -5.8737 -5.8736 -5.7839 -5.7804 -0.9185 -0.9144 0.9900 0.9903 1.0135 1.0231 7.8025 7.8431 8.0225 8.0580 8.1305 8.1348 8.8228 8.8251 8.8514 8.8582 9.1407 9.1478 9.4505 9.5364 9.8653 9.8996 10.0048 10.0491 12.6868 12.7180 12.7889 12.7900 12.8484 12.8681 14.7915 14.7938 k = 0.0000 0.0000 0.1135 ( 2745 PWs) bands (ev): -45.9855 -45.9855 -22.6976 -22.6970 -22.0572 -22.0572 -22.0255 -22.0247 -14.3952 -14.3951 -6.5183 -6.5160 -5.8747 -5.8746 -5.7884 -5.7851 -0.9241 -0.9204 0.9849 0.9852 1.0054 1.0141 7.8375 7.8784 8.0409 8.0764 8.1397 8.1441 8.8539 8.8565 8.8761 8.8844 9.1565 9.1636 9.4957 9.5847 9.8832 9.9198 10.0210 10.0653 12.6722 12.7027 12.7425 12.7435 12.8314 12.8508 14.7920 14.7940 k = 0.0000 0.0000 0.1009 ( 2747 PWs) bands (ev): -45.9855 -45.9855 -22.6973 -22.6967 -22.0573 -22.0572 -22.0245 -22.0238 -14.3982 -14.3981 -6.5153 -6.5132 -5.8756 -5.8755 -5.7920 -5.7891 -0.9293 -0.9259 0.9802 0.9806 0.9981 1.0059 7.8671 7.9062 8.0618 8.0951 8.1477 8.1524 8.8835 8.8861 8.8994 8.9090 9.1705 9.1777 9.5409 9.6324 9.8990 9.9388 10.0331 10.0763 12.6592 12.6844 12.7008 12.7039 12.8182 12.8369 14.7924 14.7943 k = 0.0000 0.0000 0.0883 ( 2747 PWs) bands (ev): -45.9855 -45.9855 -22.6969 -22.6964 -22.0573 -22.0573 -22.0236 -22.0230 -14.4008 -14.4007 -6.5128 -6.5110 -5.8763 -5.8763 -5.7949 -5.7923 -0.9339 -0.9309 0.9761 0.9764 0.9915 0.9985 7.8917 7.9271 8.0846 8.1136 8.1546 8.1597 8.9112 8.9136 8.9212 8.9316 9.1826 9.1897 9.5860 9.6795 9.9120 9.9563 10.0411 10.0818 12.6457 12.6532 12.6652 12.6843 12.8078 12.8256 14.7928 14.7944 k = 0.0000 0.0000 0.0757 ( 2751 PWs) bands (ev): -45.9856 -45.9856 -22.6966 -22.6962 -22.0574 -22.0574 -22.0228 -22.0223 -14.4032 -14.4031 -6.5108 -6.5092 -5.8770 -5.8770 -5.7972 -5.7949 -0.9379 -0.9353 0.9725 0.9728 0.9858 0.9919 7.9116 7.9421 8.1078 8.1310 8.1604 8.1664 8.9360 8.9380 8.9417 8.9524 9.1930 9.1997 9.6307 9.7257 9.9216 9.9722 10.0452 10.0816 12.6194 12.6202 12.6489 12.6741 12.7995 12.8160 14.7932 14.7945 k = 0.0000 0.0000 0.0631 ( 2755 PWs) bands (ev): -45.9856 -45.9856 -22.6964 -22.6960 -22.0574 -22.0574 -22.0221 -22.0217 -14.4051 -14.4051 -6.5093 -6.5079 -5.8776 -5.8776 -5.7989 -5.7970 -0.9413 -0.9391 0.9694 0.9697 0.9810 0.9861 7.9274 7.9526 8.1299 8.1462 8.1652 8.1728 8.9558 8.9585 8.9622 8.9714 9.2014 9.2077 9.6744 9.7707 9.9269 9.9863 10.0460 10.0756 12.5893 12.5910 12.6439 12.6673 12.7929 12.8078 14.7935 14.7945 k = 0.0000 0.0000 0.0505 ( 2753 PWs) bands (ev): -45.9856 -45.9856 -22.6962 -22.6959 -22.0574 -22.0574 -22.0215 -22.0212 -14.4068 -14.4067 -6.5081 -6.5070 -5.8781 -5.8781 -5.8001 -5.7986 -0.9441 -0.9423 0.9669 0.9672 0.9771 0.9813 7.9399 7.9596 8.1494 8.1579 8.1693 8.1795 8.9710 8.9746 8.9817 8.9887 9.2082 9.2137 9.7169 9.8144 9.9269 9.9987 10.0445 10.0640 12.5642 12.5657 12.6425 12.6627 12.7878 12.8006 14.7671 14.7701 k = 0.0000 0.0000 0.0378 ( 2769 PWs) bands (ev): -45.9856 -45.9856 -22.6960 -22.6958 -22.0575 -22.0575 -22.0211 -22.0209 -14.4081 -14.4080 -6.5073 -6.5064 -5.8785 -5.8784 -5.8009 -5.7998 -0.9462 -0.9449 0.9650 0.9652 0.9741 0.9773 7.9495 7.9640 8.1646 8.1655 8.1736 8.1864 8.9831 8.9865 8.9980 9.0031 9.2133 9.2178 9.7575 9.8564 9.9205 10.0091 10.0416 10.0471 12.5443 12.5455 12.6435 12.6595 12.7841 12.7945 14.7336 14.7359 k = 0.0000 0.0000 0.0252 ( 2771 PWs) bands (ev): -45.9856 -45.9856 -22.6959 -22.6958 -22.0575 -22.0575 -22.0208 -22.0206 -14.4090 -14.4090 -6.5066 -6.5061 -5.8787 -5.8787 -5.8014 -5.8006 -0.9477 -0.9468 0.9636 0.9638 0.9721 0.9743 7.9567 7.9662 8.1700 8.1714 8.1817 8.1920 8.9920 8.9946 9.0104 9.0139 9.2171 9.2202 9.7957 9.8962 9.9073 10.0178 10.0251 10.0383 12.5299 12.5308 12.6458 12.6570 12.7820 12.7893 14.7091 14.7106 k = 0.0000 0.0000 0.0126 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6958 -22.6957 -22.0576 -22.0576 -22.0205 -22.0205 -14.4096 -14.4095 -6.5062 -6.5059 -5.8789 -5.8789 -5.8016 -5.8012 -0.9485 -0.9481 0.9628 0.9629 0.9712 0.9723 7.9619 7.9666 8.1724 8.1732 8.1898 8.1949 8.9977 8.9991 9.0184 9.0202 9.2196 9.2212 9.8306 9.8874 9.9335 9.9985 10.0247 10.0345 12.5214 12.5218 12.6488 12.6546 12.7815 12.7853 14.6942 14.6950 k = 0.0000 0.0000 0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6957 -22.6957 -22.0576 -22.0576 -22.0204 -22.0204 -14.4097 -14.4097 -6.5060 -6.5060 -5.8790 -5.8790 -5.8015 -5.8015 -0.9486 -0.9486 0.9626 0.9626 0.9712 0.9712 7.9651 7.9651 8.1734 8.1734 8.1943 8.1943 9.0001 9.0001 9.0217 9.0217 9.2210 9.2210 9.8615 9.8615 9.9678 9.9678 10.0302 10.0302 12.5186 12.5186 12.6518 12.6518 12.7827 12.7827 14.6895 14.6895 k = 0.0000 0.0000 0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6957 -22.6957 -22.0576 -22.0576 -22.0204 -22.0204 -14.4097 -14.4097 -6.5060 -6.5060 -5.8790 -5.8790 -5.8015 -5.8015 -0.9486 -0.9486 0.9626 0.9626 0.9712 0.9712 7.9651 7.9651 8.1734 8.1734 8.1943 8.1943 9.0001 9.0001 9.0217 9.0217 9.2210 9.2210 9.8615 9.8615 9.9678 9.9678 10.0302 10.0302 12.5186 12.5186 12.6518 12.6518 12.7827 12.7827 14.6895 14.6895 k =-0.0089 0.0089 0.0000 ( 2771 PWs) bands (ev): -45.9856 -45.9856 -22.6958 -22.6958 -22.0576 -22.0576 -22.0204 -22.0204 -14.4096 -14.4096 -6.5060 -6.5060 -5.8789 -5.8789 -5.8015 -5.8015 -0.9483 -0.9483 0.9630 0.9630 0.9716 0.9716 7.9641 7.9641 8.1718 8.1718 8.1934 8.1934 8.9970 8.9970 9.0200 9.0200 9.2210 9.2210 9.8598 9.8598 9.9658 9.9658 10.0288 10.0288 12.5205 12.5205 12.6531 12.6531 12.7845 12.7845 14.6908 14.6908 k =-0.0179 0.0178 0.0000 ( 2771 PWs) bands (ev): -45.9856 -45.9856 -22.6958 -22.6958 -22.0577 -22.0577 -22.0205 -22.0205 -14.4090 -14.4090 -6.5059 -6.5059 -5.8788 -5.8788 -5.8015 -5.8015 -0.9472 -0.9472 0.9642 0.9642 0.9729 0.9729 7.9609 7.9609 8.1668 8.1668 8.1909 8.1909 8.9876 8.9876 9.0148 9.0148 9.2211 9.2211 9.8545 9.8545 9.9601 9.9601 10.0250 10.0250 12.5261 12.5261 12.6568 12.6568 12.7899 12.7899 14.6945 14.6945 k =-0.0268 0.0267-0.0000 ( 2771 PWs) bands (ev): -45.9856 -45.9856 -22.6960 -22.6960 -22.0579 -22.0579 -22.0205 -22.0205 -14.4081 -14.4081 -6.5059 -6.5059 -5.8787 -5.8787 -5.8014 -5.8014 -0.9455 -0.9455 0.9657 0.9657 0.9753 0.9753 7.9555 7.9555 8.1583 8.1583 8.1870 8.1870 8.9721 8.9721 9.0064 9.0064 9.2212 9.2212 9.8455 9.8455 9.9507 9.9507 10.0187 10.0187 12.5354 12.5354 12.6629 12.6629 12.7989 12.7989 14.7007 14.7007 k =-0.0357 0.0356 0.0000 ( 2761 PWs) bands (ev): -45.9856 -45.9856 -22.6961 -22.6961 -22.0581 -22.0581 -22.0205 -22.0205 -14.4069 -14.4069 -6.5058 -6.5058 -5.8784 -5.8784 -5.8013 -5.8013 -0.9430 -0.9430 0.9674 0.9674 0.9792 0.9792 7.9477 7.9477 8.1464 8.1464 8.1819 8.1819 8.9508 8.9508 8.9948 8.9948 9.2215 9.2215 9.8324 9.8324 9.9382 9.9382 10.0102 10.0102 12.5484 12.5484 12.6715 12.6715 12.8114 12.8114 14.7092 14.7092 k =-0.0446 0.0445-0.0000 ( 2765 PWs) bands (ev): -45.9856 -45.9856 -22.6963 -22.6963 -22.0585 -22.0585 -22.0207 -22.0207 -14.4053 -14.4053 -6.5057 -6.5057 -5.8781 -5.8781 -5.8012 -5.8012 -0.9400 -0.9400 0.9689 0.9689 0.9846 0.9846 7.9372 7.9372 8.1313 8.1313 8.1758 8.1758 8.9238 8.9238 8.9801 8.9801 9.2219 9.2219 9.8147 9.8147 9.9230 9.9230 9.9997 9.9997 12.5647 12.5647 12.6824 12.6824 12.8272 12.8272 14.7199 14.7199 k =-0.0536 0.0534 0.0000 ( 2765 PWs) bands (ev): -45.9856 -45.9856 -22.6966 -22.6966 -22.0590 -22.0590 -22.0208 -22.0208 -14.4034 -14.4034 -6.5056 -6.5056 -5.8778 -5.8778 -5.8010 -5.8010 -0.9364 -0.9364 0.9706 0.9706 0.9914 0.9914 7.9237 7.9237 8.1133 8.1133 8.1685 8.1685 8.8917 8.8917 8.9625 8.9625 9.2224 9.2224 9.7920 9.7920 9.9059 9.9059 9.9875 9.9875 12.5845 12.5845 12.6957 12.6957 12.8462 12.8462 14.7328 14.7328 k =-0.0625 0.0623-0.0000 ( 2773 PWs) bands (ev): -45.9856 -45.9856 -22.6969 -22.6969 -22.0595 -22.0595 -22.0209 -22.0209 -14.4012 -14.4012 -6.5054 -6.5054 -5.8774 -5.8774 -5.8006 -5.8006 -0.9322 -0.9322 0.9723 0.9723 0.9995 0.9995 7.9069 7.9069 8.0931 8.0931 8.1603 8.1603 8.8550 8.8550 8.9422 8.9422 9.2233 9.2233 9.7639 9.7639 9.8875 9.8875 9.9738 9.9738 12.6074 12.6074 12.7113 12.7113 12.8682 12.8682 14.7477 14.7477 k =-0.0714 0.0712-0.0000 ( 2777 PWs) bands (ev): -45.9855 -45.9855 -22.6973 -22.6973 -22.0601 -22.0601 -22.0211 -22.0211 -14.3986 -14.3986 -6.5052 -6.5052 -5.8769 -5.8769 -5.8001 -5.8001 -0.9275 -0.9275 0.9741 0.9741 1.0087 1.0087 7.8862 7.8862 8.0712 8.0712 8.1510 8.1510 8.8140 8.8140 8.9193 8.9193 9.2244 9.2244 9.7305 9.7305 9.8682 9.8682 9.9589 9.9589 12.6332 12.6332 12.7291 12.7291 12.8930 12.8930 14.7643 14.7643 k =-0.0804 0.0801-0.0000 ( 2773 PWs) bands (ev): -45.9855 -45.9855 -22.6977 -22.6977 -22.0608 -22.0608 -22.0212 -22.0212 -14.3958 -14.3958 -6.5050 -6.5050 -5.8764 -5.8764 -5.7994 -5.7994 -0.9223 -0.9223 0.9762 0.9762 1.0188 1.0188 7.8614 7.8614 8.0481 8.0481 8.1407 8.1407 8.7694 8.7694 8.8939 8.8939 9.2259 9.2259 9.6921 9.6921 9.8482 9.8483 9.9430 9.9430 12.6619 12.6619 12.7491 12.7491 12.9203 12.9203 14.7826 14.7826 k =-0.0893 0.0890 0.0000 ( 2767 PWs) bands (ev): -45.9855 -45.9855 -22.6981 -22.6981 -22.0615 -22.0615 -22.0214 -22.0214 -14.3926 -14.3926 -6.5047 -6.5047 -5.8758 -5.8758 -5.7986 -5.7986 -0.9168 -0.9168 0.9783 0.9783 1.0298 1.0298 7.8321 7.8321 8.0241 8.0241 8.1295 8.1295 8.7215 8.7215 8.8664 8.8664 9.2279 9.2279 9.6492 9.6492 9.8277 9.8277 9.9263 9.9263 12.6930 12.6930 12.7711 12.7711 12.9500 12.9500 14.8023 14.8023 k =-0.0982 0.0979-0.0000 ( 2763 PWs) bands (ev): -45.9855 -45.9855 -22.6985 -22.6985 -22.0623 -22.0623 -22.0216 -22.0216 -14.3892 -14.3892 -6.5043 -6.5043 -5.8751 -5.8751 -5.7975 -5.7975 -0.9109 -0.9109 0.9807 0.9807 1.0415 1.0415 7.7985 7.7985 7.9994 7.9994 8.1176 8.1176 8.6708 8.6708 8.8367 8.8367 9.2304 9.2304 9.6025 9.6025 9.8065 9.8065 9.9090 9.9090 12.7265 12.7265 12.7952 12.7952 12.9819 12.9819 14.8233 14.8233 k =-0.1071 0.1068 0.0000 ( 2751 PWs) bands (ev): -45.9854 -45.9854 -22.6990 -22.6990 -22.0631 -22.0631 -22.0217 -22.0217 -14.3855 -14.3855 -6.5039 -6.5039 -5.8744 -5.8744 -5.7961 -5.7961 -0.9047 -0.9047 0.9833 0.9833 1.0538 1.0538 7.7608 7.7608 7.9741 7.9741 8.1049 8.1049 8.6175 8.6175 8.8053 8.8053 9.2335 9.2335 9.5528 9.5528 9.7846 9.7846 9.8915 9.8915 12.7621 12.7621 12.8212 12.8212 13.0157 13.0157 14.8454 14.8454 k =-0.1161 0.1157-0.0000 ( 2755 PWs) bands (ev): -45.9854 -45.9854 -22.6996 -22.6996 -22.0640 -22.0640 -22.0220 -22.0220 -14.3815 -14.3815 -6.5033 -6.5033 -5.8736 -5.8736 -5.7945 -5.7945 -0.8984 -0.8984 0.9859 0.9859 1.0665 1.0665 7.7192 7.7192 7.9478 7.9478 8.0917 8.0917 8.5620 8.5620 8.7722 8.7722 9.2371 9.2371 9.5006 9.5006 9.7619 9.7619 9.8740 9.8740 12.7995 12.7995 12.8491 12.8491 13.0512 13.0512 14.8685 14.8685 k =-0.1250 0.1246-0.0000 ( 2755 PWs) bands (ev): -45.9853 -45.9853 -22.7002 -22.7002 -22.0650 -22.0650 -22.0222 -22.0222 -14.3773 -14.3773 -6.5027 -6.5027 -5.8728 -5.8728 -5.7925 -5.7925 -0.8919 -0.8919 0.9888 0.9888 1.0795 1.0795 7.6744 7.6744 7.9205 7.9205 8.0780 8.0780 8.5046 8.5046 8.7377 8.7377 9.2414 9.2414 9.4469 9.4469 9.7384 9.7384 9.8568 9.8568 12.8385 12.8385 12.8788 12.8788 13.0883 13.0883 14.8922 14.8922 k =-0.1339 0.1335-0.0000 ( 2753 PWs) bands (ev): -45.9853 -45.9853 -22.7008 -22.7008 -22.0660 -22.0660 -22.0224 -22.0224 -14.3729 -14.3729 -6.5018 -6.5018 -5.8719 -5.8719 -5.7903 -5.7903 -0.8853 -0.8853 0.9918 0.9918 1.0925 1.0925 7.6269 7.6269 7.8918 7.8918 8.0640 8.0640 8.4454 8.4454 8.7020 8.7020 9.2464 9.2464 9.3923 9.3923 9.7140 9.7140 9.8401 9.8401 12.8786 12.8786 12.9104 12.9104 13.1267 13.1267 14.9166 14.9166 k =-0.1429 0.1424-0.0000 ( 2759 PWs) bands (ev): -45.9853 -45.9853 -22.7015 -22.7015 -22.0672 -22.0672 -22.0227 -22.0227 -14.3684 -14.3684 -6.5008 -6.5008 -5.8709 -5.8709 -5.7877 -5.7877 -0.8788 -0.8788 0.9949 0.9949 1.1056 1.1056 7.5772 7.5772 7.8616 7.8616 8.0496 8.0496 8.3845 8.3845 8.6652 8.6652 9.2521 9.2521 9.3375 9.3375 9.6888 9.6888 9.8243 9.8243 12.9196 12.9196 12.9440 12.9440 13.1664 13.1664 14.9413 14.9413 k =-0.1518 0.1513 0.0000 ( 2755 PWs) bands (ev): -45.9852 -45.9852 -22.7021 -22.7021 -22.0683 -22.0683 -22.0230 -22.0230 -14.3636 -14.3636 -6.4996 -6.4996 -5.8699 -5.8699 -5.7849 -5.7849 -0.8722 -0.8722 0.9982 0.9982 1.1184 1.1184 7.5258 7.5258 7.8297 7.8297 8.0349 8.0349 8.3222 8.3222 8.6276 8.6276 9.2581 9.2581 9.2837 9.2837 9.6626 9.6626 9.8097 9.8097 12.9606 12.9606 12.9799 12.9799 13.2071 13.2071 14.9664 14.9664 k =-0.1607 0.1602-0.0000 ( 2751 PWs) bands (ev): -45.9852 -45.9852 -22.7028 -22.7028 -22.0694 -22.0694 -22.0233 -22.0233 -14.3587 -14.3587 -6.4981 -6.4981 -5.8688 -5.8688 -5.7817 -5.7817 -0.8658 -0.8658 1.0015 1.0015 1.1309 1.1309 7.4733 7.4733 7.7961 7.7961 8.0198 8.0198 8.2587 8.2587 8.5892 8.5892 9.2296 9.2296 9.2663 9.2663 9.6354 9.6354 9.7966 9.7966 13.0008 13.0008 13.0187 13.0187 13.2487 13.2487 14.9916 14.9916 k =-0.1696 0.1691 0.0000 ( 2741 PWs) bands (ev): -45.9851 -45.9851 -22.7035 -22.7035 -22.0706 -22.0706 -22.0235 -22.0235 -14.3536 -14.3536 -6.4963 -6.4963 -5.8677 -5.8677 -5.7783 -5.7783 -0.8595 -0.8595 1.0049 1.0049 1.1428 1.1428 7.4200 7.4200 7.7608 7.7608 8.0042 8.0042 8.1941 8.1941 8.5504 8.5504 9.1788 9.1788 9.2739 9.2739 9.6073 9.6073 9.7850 9.7850 13.0400 13.0400 13.0603 13.0603 13.2912 13.2912 15.0168 15.0168 k =-0.1786 0.1780-0.0000 ( 2736 PWs) bands (ev): -45.9851 -45.9851 -22.7043 -22.7043 -22.0719 -22.0719 -22.0238 -22.0238 -14.3484 -14.3484 -6.4941 -6.4941 -5.8666 -5.8666 -5.7746 -5.7746 -0.8534 -0.8534 1.0083 1.0083 1.1542 1.1542 7.3663 7.3663 7.7238 7.7238 7.9875 7.9875 8.1292 8.1292 8.5111 8.5111 9.1302 9.1302 9.2822 9.2823 9.5783 9.5783 9.7753 9.7753 13.0789 13.0789 13.1038 13.1038 13.3344 13.3344 15.0419 15.0419 k =-0.1875 0.1869-0.0000 ( 2736 PWs) bands (ev): -45.9850 -45.9850 -22.7051 -22.7051 -22.0732 -22.0732 -22.0241 -22.0241 -14.3431 -14.3431 -6.4915 -6.4915 -5.8654 -5.8654 -5.7708 -5.7708 -0.8475 -0.8475 1.0118 1.0118 1.1647 1.1647 7.3125 7.3125 7.6853 7.6853 7.9679 7.9679 8.0656 8.0656 8.4717 8.4717 9.0847 9.0847 9.2912 9.2912 9.5484 9.5484 9.7675 9.7675 13.1180 13.1180 13.1482 13.1482 13.3781 13.3781 15.0668 15.0668 k =-0.1964 0.1958 0.0000 ( 2732 PWs) bands (ev): -45.9850 -45.9850 -22.7058 -22.7058 -22.0745 -22.0745 -22.0244 -22.0244 -14.3378 -14.3378 -6.4885 -6.4885 -5.8641 -5.8641 -5.7667 -5.7667 -0.8420 -0.8420 1.0152 1.0152 1.1744 1.1744 7.2589 7.2589 7.6453 7.6453 7.9395 7.9395 8.0096 8.0096 8.4322 8.4322 9.0428 9.0428 9.3006 9.3006 9.5177 9.5177 9.7618 9.7618 13.1575 13.1575 13.1932 13.1932 13.4224 13.4224 15.0913 15.0913 k =-0.2054 0.2047-0.0000 ( 2732 PWs) bands (ev): -45.9849 -45.9849 -22.7067 -22.7067 -22.0758 -22.0758 -22.0247 -22.0247 -14.3324 -14.3324 -6.4850 -6.4850 -5.8628 -5.8628 -5.7625 -5.7625 -0.8367 -0.8367 1.0186 1.0186 1.1831 1.1831 7.2058 7.2058 7.6042 7.6042 7.8911 7.8911 7.9724 7.9724 8.3927 8.3927 9.0048 9.0048 9.3103 9.3103 9.4865 9.4865 9.7581 9.7581 13.1976 13.1976 13.2382 13.2382 13.4670 13.4670 15.1155 15.1155 k =-0.2143 0.2136-0.0000 ( 2734 PWs) bands (ev): -45.9849 -45.9849 -22.7075 -22.7075 -22.0772 -22.0772 -22.0250 -22.0250 -14.3269 -14.3269 -6.4809 -6.4809 -5.8615 -5.8615 -5.7583 -5.7583 -0.8318 -0.8318 1.0218 1.0218 1.1908 1.1908 7.1534 7.1534 7.5619 7.5619 7.8270 7.8270 7.9497 7.9497 8.3534 8.3534 8.9713 8.9713 9.3202 9.3202 9.4548 9.4548 9.7566 9.7566 13.2381 13.2381 13.2832 13.2832 13.5119 13.5119 15.1391 15.1391 k =-0.2232 0.2225-0.0000 ( 2738 PWs) bands (ev): -45.9848 -45.9848 -22.7084 -22.7084 -22.0786 -22.0786 -22.0254 -22.0254 -14.3214 -14.3214 -6.4763 -6.4763 -5.8602 -5.8602 -5.7540 -5.7540 -0.8273 -0.8273 1.0249 1.0249 1.1975 1.1975 7.1017 7.1017 7.5187 7.5187 7.7572 7.7572 7.9319 7.9319 8.3144 8.3144 8.9424 8.9424 9.3300 9.3300 9.4229 9.4229 9.7572 9.7572 13.2789 13.2789 13.3280 13.3280 13.5571 13.5571 15.1622 15.1622 k =-0.2321 0.2314-0.0000 ( 2738 PWs) bands (ev): -45.9848 -45.9848 -22.7092 -22.7092 -22.0800 -22.0800 -22.0257 -22.0257 -14.3160 -14.3160 -6.4710 -6.4710 -5.8588 -5.8588 -5.7498 -5.7498 -0.8232 -0.8232 1.0278 1.0278 1.2030 1.2030 7.0511 7.0511 7.4749 7.4749 7.6850 7.6850 7.9159 7.9159 8.2758 8.2758 8.9185 8.9185 9.3386 9.3386 9.3920 9.3920 9.7599 9.7599 13.3201 13.3201 13.3723 13.3723 13.6023 13.6023 15.1846 15.1846 k =-0.2411 0.2402-0.0000 ( 2738 PWs) bands (ev): -45.9847 -45.9847 -22.7101 -22.7101 -22.0814 -22.0814 -22.0261 -22.0261 -14.3105 -14.3105 -6.4650 -6.4650 -5.8574 -5.8574 -5.7456 -5.7456 -0.8195 -0.8195 1.0304 1.0304 1.2076 1.2076 7.0014 7.0014 7.4305 7.4305 7.6116 7.6116 7.9006 7.9006 8.2377 8.2377 8.8996 8.8996 9.3393 9.3393 9.3688 9.3688 9.7647 9.7647 13.3614 13.3614 13.4161 13.4161 13.6476 13.6476 15.2063 15.2063 k =-0.2500 0.2491-0.0000 ( 2742 PWs) bands (ev): -45.9847 -45.9847 -22.7109 -22.7109 -22.0828 -22.0828 -22.0264 -22.0264 -14.3051 -14.3051 -6.4583 -6.4583 -5.8559 -5.8559 -5.7417 -5.7417 -0.8162 -0.8162 1.0326 1.0326 1.2111 1.2111 6.9530 6.9530 7.3858 7.3858 7.5377 7.5377 7.8858 7.8858 8.2002 8.2002 8.8858 8.8858 9.3164 9.3164 9.3691 9.3691 9.7715 9.7715 13.4027 13.4027 13.4593 13.4593 13.6927 13.6927 15.2272 15.2272 k =-0.2589 0.2580-0.0000 ( 2742 PWs) bands (ev): -45.9846 -45.9846 -22.7118 -22.7118 -22.0842 -22.0842 -22.0267 -22.0267 -14.2998 -14.2998 -6.4509 -6.4509 -5.8545 -5.8545 -5.7380 -5.7380 -0.8134 -0.8134 1.0343 1.0343 1.2137 1.2137 6.9057 6.9057 7.3409 7.3409 7.4636 7.4636 7.8712 7.8712 8.1633 8.1633 8.8772 8.8772 9.2851 9.2851 9.3776 9.3776 9.7802 9.7802 13.4439 13.4439 13.5017 13.5017 13.7377 13.7377 15.2473 15.2473 k =-0.2679 0.2669-0.0000 ( 2728 PWs) bands (ev): -45.9845 -45.9845 -22.7126 -22.7126 -22.0855 -22.0855 -22.0270 -22.0270 -14.2945 -14.2945 -6.4427 -6.4427 -5.8530 -5.8530 -5.7345 -5.7345 -0.8111 -0.8111 1.0355 1.0355 1.2156 1.2156 6.8596 6.8596 7.2960 7.2960 7.3899 7.3899 7.8570 7.8570 8.1273 8.1273 8.8736 8.8736 9.2527 9.2527 9.3874 9.3874 9.7907 9.7907 13.4850 13.4850 13.5433 13.5433 13.7823 13.7823 15.2666 15.2666 k =-0.2768 0.2758 0.0000 ( 2728 PWs) bands (ev): -45.9845 -45.9845 -22.7134 -22.7134 -22.0869 -22.0869 -22.0273 -22.0273 -14.2893 -14.2893 -6.4337 -6.4337 -5.8516 -5.8516 -5.7315 -5.7315 -0.8092 -0.8092 1.0361 1.0361 1.2168 1.2168 6.8148 6.8148 7.2511 7.2511 7.3168 7.3168 7.8429 7.8429 8.0920 8.0920 8.8751 8.8751 9.2200 9.2200 9.3974 9.3974 9.8028 9.8029 13.5257 13.5257 13.5838 13.5838 13.8266 13.8266 15.2849 15.2849 k =-0.2857 0.2847-0.0000 ( 2732 PWs) bands (ev): -45.9844 -45.9844 -22.7143 -22.7143 -22.0882 -22.0882 -22.0276 -22.0276 -14.2843 -14.2843 -6.4239 -6.4239 -5.8501 -5.8501 -5.7289 -5.7289 -0.8077 -0.8077 1.0359 1.0359 1.2175 1.2175 6.7713 6.7713 7.2058 7.2058 7.2454 7.2454 7.8291 7.8291 8.0577 8.0577 8.8813 8.8813 9.1875 9.1875 9.4073 9.4073 9.8165 9.8165 13.5660 13.5660 13.6234 13.6234 13.8703 13.8703 15.3023 15.3023 k =-0.2946 0.2936-0.0000 ( 2742 PWs) bands (ev): -45.9844 -45.9844 -22.7152 -22.7152 -22.0896 -22.0896 -22.0279 -22.0279 -14.2793 -14.2793 -6.4134 -6.4134 -5.8487 -5.8487 -5.7268 -5.7268 -0.8067 -0.8067 1.0349 1.0349 1.2179 1.2179 6.7290 6.7290 7.1570 7.1570 7.1790 7.1790 7.8154 7.8154 8.0243 8.0243 8.8921 8.8921 9.1554 9.1554 9.4172 9.4172 9.8315 9.8315 13.6057 13.6057 13.6618 13.6618 13.9133 13.9133 15.3188 15.3188 k =-0.3036 0.3025 0.0000 ( 2738 PWs) bands (ev): -45.9843 -45.9843 -22.7160 -22.7160 -22.0909 -22.0909 -22.0282 -22.0282 -14.2745 -14.2745 -6.4020 -6.4020 -5.8473 -5.8473 -5.7253 -5.7253 -0.8061 -0.8061 1.0330 1.0330 1.2181 1.2181 6.6880 6.6880 7.0959 7.0959 7.1272 7.1272 7.8021 7.8021 7.9920 7.9920 8.9073 8.9073 9.1239 9.1239 9.4269 9.4269 9.8476 9.8476 13.6448 13.6448 13.6990 13.6990 13.9556 13.9556 15.3343 15.3343 k =-0.3125 0.3114-0.0000 ( 2738 PWs) bands (ev): -45.9843 -45.9843 -22.7168 -22.7168 -22.0922 -22.0922 -22.0285 -22.0285 -14.2698 -14.2698 -6.3898 -6.3898 -5.8459 -5.8459 -5.7245 -5.7245 -0.8060 -0.8060 1.0301 1.0301 1.2184 1.2184 6.6484 6.6484 7.0291 7.0291 7.0834 7.0834 7.7890 7.7890 7.9608 7.9608 8.9265 8.9265 9.0929 9.0929 9.4364 9.4364 9.8647 9.8647 13.6830 13.6830 13.7350 13.7350 13.9971 13.9971 15.3488 15.3488 k =-0.3214 0.3203-0.0000 ( 2738 PWs) bands (ev): -45.9842 -45.9842 -22.7175 -22.7175 -22.0935 -22.0935 -22.0288 -22.0288 -14.2653 -14.2653 -6.3769 -6.3769 -5.8445 -5.8445 -5.7243 -5.7243 -0.8062 -0.8062 1.0263 1.0263 1.2188 1.2188 6.6100 6.6100 6.9630 6.9630 7.0420 7.0420 7.7762 7.7762 7.9307 7.9307 8.9493 8.9493 9.0628 9.0628 9.4457 9.4457 9.8826 9.8826 13.7204 13.7204 13.7697 13.7697 14.0375 14.0375 15.3623 15.3623 k =-0.3304 0.3292 0.0000 ( 2738 PWs) bands (ev): -45.9842 -45.9842 -22.7183 -22.7183 -22.0947 -22.0947 -22.0291 -22.0291 -14.2610 -14.2610 -6.3632 -6.3632 -5.8431 -5.8431 -5.7249 -5.7249 -0.8068 -0.8068 1.0215 1.0215 1.2193 1.2193 6.5729 6.5729 6.8987 6.8987 7.0022 7.0022 7.7637 7.7637 7.9018 7.9018 8.9753 8.9753 9.0338 9.0338 9.4548 9.4548 9.9010 9.9010 13.7566 13.7566 13.8030 13.8030 14.0767 14.0767 15.3748 15.3748 k =-0.3393 0.3381-0.0000 ( 2734 PWs) bands (ev): -45.9841 -45.9841 -22.7190 -22.7190 -22.0959 -22.0959 -22.0293 -22.0293 -14.2568 -14.2568 -6.3488 -6.3488 -5.8418 -5.8418 -5.7262 -5.7262 -0.8077 -0.8077 1.0158 1.0158 1.2202 1.2202 6.5370 6.5370 6.8366 6.8366 6.9638 6.9638 7.7516 7.7516 7.8741 7.8741 8.9991 8.9991 9.0107 9.0107 9.4638 9.4638 9.9198 9.9198 13.7918 13.7918 13.8349 13.8349 14.1148 14.1148 15.3864 15.3864 k =-0.3482 0.3470-0.0000 ( 2734 PWs) bands (ev): -45.9841 -45.9841 -22.7197 -22.7197 -22.0970 -22.0970 -22.0295 -22.0295 -14.2528 -14.2528 -6.3338 -6.3338 -5.8405 -5.8405 -5.7283 -5.7283 -0.8089 -0.8089 1.0094 1.0094 1.2214 1.2214 6.5023 6.5023 6.7771 6.7771 6.9269 6.9269 7.7398 7.7398 7.8478 7.8478 8.9769 8.9769 9.0371 9.0371 9.4725 9.4725 9.9388 9.9388 13.8257 13.8257 13.8654 13.8654 14.1514 14.1514 15.3969 15.3969 k =-0.3571 0.3559-0.0000 ( 2738 PWs) bands (ev): -45.9841 -45.9841 -22.7204 -22.7204 -22.0981 -22.0981 -22.0298 -22.0298 -14.2490 -14.2490 -6.3181 -6.3181 -5.8392 -5.8392 -5.7313 -5.7313 -0.8104 -0.8104 1.0024 1.0024 1.2228 1.2228 6.4689 6.4689 6.7205 6.7205 6.8915 6.8915 7.7284 7.7284 7.8227 7.8227 8.9510 8.9510 9.0703 9.0703 9.4811 9.4811 9.9578 9.9578 13.8581 13.8581 13.8943 13.8943 14.1865 14.1865 15.4066 15.4066 k =-0.3661 0.3648 0.0000 ( 2730 PWs) bands (ev): -45.9840 -45.9840 -22.7210 -22.7210 -22.0991 -22.0991 -22.0300 -22.0300 -14.2455 -14.2455 -6.3019 -6.3019 -5.8381 -5.8381 -5.7351 -5.7351 -0.8121 -0.8121 0.9948 0.9948 1.2245 1.2245 6.4366 6.4366 6.6670 6.6670 6.8579 6.8579 7.7175 7.7175 7.7990 7.7990 8.9261 8.9261 9.1051 9.1051 9.4896 9.4896 9.9767 9.9767 13.8891 13.8891 13.9218 13.9218 14.2201 14.2201 15.4153 15.4153 k =-0.3750 0.3737-0.0000 ( 2730 PWs) bands (ev): -45.9840 -45.9840 -22.7216 -22.7216 -22.1001 -22.1001 -22.0302 -22.0302 -14.2421 -14.2421 -6.2852 -6.2852 -5.8369 -5.8369 -5.7397 -5.7397 -0.8140 -0.8140 0.9870 0.9870 1.2265 1.2265 6.4055 6.4055 6.6169 6.6169 6.8259 6.8259 7.7070 7.7070 7.7767 7.7767 8.9025 8.9025 9.1408 9.1408 9.4979 9.4979 9.9951 9.9952 13.9185 13.9185 13.9478 13.9478 14.2519 14.2519 15.4230 15.4230 k =-0.3839 0.3826-0.0000 ( 2726 PWs) bands (ev): -45.9839 -45.9839 -22.7222 -22.7222 -22.1010 -22.1010 -22.0304 -22.0304 -14.2389 -14.2389 -6.2682 -6.2682 -5.8359 -5.8359 -5.7452 -5.7452 -0.8161 -0.8161 0.9789 0.9789 1.2286 1.2286 6.3754 6.3754 6.5704 6.5704 6.7958 6.7958 7.6970 7.6970 7.7558 7.7558 8.8802 8.8802 9.1768 9.1768 9.5060 9.5060 10.0131 10.0131 13.9461 13.9461 13.9723 13.9723 14.2818 14.2818 15.4300 15.4300 k =-0.3929 0.3915 0.0000 ( 2734 PWs) bands (ev): -45.9839 -45.9839 -22.7228 -22.7228 -22.1019 -22.1019 -22.0306 -22.0306 -14.2360 -14.2360 -6.2509 -6.2509 -5.8349 -5.8349 -5.7514 -5.7514 -0.8182 -0.8182 0.9708 0.9708 1.2308 1.2308 6.3465 6.3465 6.5277 6.5277 6.7676 6.7676 7.6876 7.6876 7.7363 7.7363 8.8593 8.8593 9.2126 9.2126 9.5141 9.5141 10.0305 10.0305 13.9719 13.9719 13.9953 13.9953 14.3098 14.3098 15.4361 15.4361 k =-0.4018 0.4004-0.0000 ( 2734 PWs) bands (ev): -45.9839 -45.9839 -22.7233 -22.7233 -22.1028 -22.1028 -22.0308 -22.0308 -14.2333 -14.2333 -6.2335 -6.2335 -5.8340 -5.8340 -5.7584 -5.7584 -0.8204 -0.8204 0.9628 0.9628 1.2331 1.2331 6.3186 6.3186 6.4890 6.4890 6.7414 6.7414 7.6788 7.6788 7.7183 7.7183 8.8399 8.8399 9.2476 9.2476 9.5221 9.5221 10.0470 10.0470 13.9956 13.9956 14.0168 14.0168 14.3358 14.3358 15.4414 15.4414 k =-0.4107 0.4093-0.0000 ( 2736 PWs) bands (ev): -45.9838 -45.9838 -22.7238 -22.7238 -22.1035 -22.1035 -22.0309 -22.0309 -14.2308 -14.2308 -6.2160 -6.2160 -5.8332 -5.8332 -5.7660 -5.7660 -0.8225 -0.8225 0.9551 0.9551 1.2354 1.2354 6.2920 6.2920 6.4542 6.4542 6.7173 6.7173 7.6705 7.6705 7.7018 7.7018 8.8221 8.8221 9.2811 9.2811 9.5300 9.5300 10.0625 10.0625 14.0172 14.0172 14.0369 14.0369 14.3598 14.3598 15.4460 15.4460 k =-0.4196 0.4182-0.0000 ( 2740 PWs) bands (ev): -45.9838 -45.9838 -22.7242 -22.7242 -22.1042 -22.1042 -22.0311 -22.0311 -14.2285 -14.2285 -6.1987 -6.1987 -5.8326 -5.8326 -5.7741 -5.7741 -0.8247 -0.8247 0.9478 0.9478 1.2376 1.2376 6.2667 6.2667 6.4236 6.4236 6.6952 6.6952 7.6630 7.6630 7.6868 7.6868 8.8058 8.8058 9.3127 9.3127 9.5380 9.5380 10.0770 10.0770 14.0365 14.0365 14.0555 14.0555 14.3815 14.3815 15.4500 15.4500 k =-0.4286 0.4271-0.0000 ( 2738 PWs) bands (ev): -45.9838 -45.9838 -22.7246 -22.7246 -22.1048 -22.1048 -22.0312 -22.0312 -14.2265 -14.2265 -6.1818 -6.1818 -5.8321 -5.8321 -5.7825 -5.7825 -0.8267 -0.8267 0.9409 0.9409 1.2398 1.2398 6.2430 6.2430 6.3968 6.3968 6.6753 6.6753 7.6561 7.6561 7.6734 7.6734 8.7911 8.7911 9.3416 9.3416 9.5461 9.5461 10.0903 10.0903 14.0537 14.0537 14.0725 14.0725 14.4011 14.4011 15.4533 15.4533 k =-0.4375 0.4360-0.0000 ( 2740 PWs) bands (ev): -45.9838 -45.9838 -22.7250 -22.7250 -22.1054 -22.1054 -22.0314 -22.0314 -14.2247 -14.2247 -6.1655 -6.1655 -5.8317 -5.8317 -5.7911 -5.7911 -0.8286 -0.8286 0.9347 0.9347 1.2418 1.2418 6.2212 6.2212 6.3738 6.3738 6.6577 6.6577 7.6499 7.6499 7.6615 7.6615 8.7781 8.7781 9.3675 9.3675 9.5542 9.5542 10.1022 10.1022 14.0686 14.0686 14.0880 14.0880 14.4184 14.4184 15.4561 15.4561 k =-0.4464 0.4449-0.0000 ( 2736 PWs) bands (ev): -45.9837 -45.9837 -22.7253 -22.7253 -22.1059 -22.1059 -22.0314 -22.0314 -14.2232 -14.2232 -6.1501 -6.1501 -5.8317 -5.8317 -5.7994 -5.7994 -0.8303 -0.8303 0.9291 0.9291 1.2435 1.2435 6.2016 6.2016 6.3543 6.3543 6.6423 6.6423 7.6445 7.6445 7.6512 7.6512 8.7667 8.7667 9.3899 9.3899 9.5622 9.5622 10.1128 10.1128 14.0814 14.0814 14.1017 14.1017 14.4334 14.4334 15.4584 15.4584 k =-0.4554 0.4538-0.0000 ( 2736 PWs) bands (ev): -45.9837 -45.9837 -22.7255 -22.7255 -22.1063 -22.1063 -22.0315 -22.0315 -14.2219 -14.2219 -6.1360 -6.1360 -5.8322 -5.8322 -5.8071 -5.8071 -0.8319 -0.8319 0.9243 0.9243 1.2451 1.2451 6.1845 6.1845 6.3382 6.3382 6.6292 6.6292 7.6397 7.6397 7.6426 7.6426 8.7571 8.7571 9.4087 9.4087 9.5701 9.5701 10.1219 10.1219 14.0921 14.0921 14.1134 14.1134 14.4461 14.4461 15.4602 15.4602 k =-0.4643 0.4627-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7257 -22.7257 -22.1066 -22.1066 -22.0316 -22.0316 -14.2208 -14.2208 -6.1234 -6.1234 -5.8333 -5.8333 -5.8134 -5.8134 -0.8332 -0.8332 0.9203 0.9203 1.2464 1.2464 6.1701 6.1701 6.3253 6.3253 6.6185 6.6185 7.6347 7.6347 7.6366 7.6366 8.7492 8.7492 9.4237 9.4237 9.5773 9.5773 10.1295 10.1295 14.1008 14.1008 14.1232 14.1232 14.4565 14.4565 15.4616 15.4616 k =-0.4732 0.4716-0.0000 ( 2722 PWs) bands (ev): -45.9837 -45.9837 -22.7258 -22.7258 -22.1068 -22.1068 -22.0316 -22.0316 -14.2199 -14.2199 -6.1129 -6.1129 -5.8354 -5.8354 -5.8179 -5.8179 -0.8342 -0.8342 0.9171 0.9171 1.2475 1.2475 6.1587 6.1587 6.3154 6.3154 6.6101 6.6101 7.6293 7.6293 7.6333 7.6333 8.7430 8.7430 9.4350 9.4350 9.5837 9.5837 10.1354 10.1354 14.1076 14.1076 14.1309 14.1309 14.4646 14.4646 15.4627 15.4627 k =-0.4821 0.4805-0.0000 ( 2726 PWs) bands (ev): -45.9837 -45.9837 -22.7260 -22.7260 -22.1070 -22.1070 -22.0316 -22.0316 -14.2193 -14.2193 -6.1050 -6.1050 -5.8380 -5.8380 -5.8204 -5.8204 -0.8349 -0.8349 0.9148 0.9148 1.2483 1.2483 6.1504 6.1504 6.3084 6.3084 6.6041 6.6041 7.6254 7.6254 7.6311 7.6311 8.7386 8.7386 9.4429 9.4429 9.5886 9.5886 10.1396 10.1396 14.1124 14.1124 14.1364 14.1364 14.4704 14.4704 15.4635 15.4635 k =-0.4911 0.4894-0.0000 ( 2724 PWs) bands (ev): -45.9837 -45.9837 -22.7260 -22.7260 -22.1071 -22.1071 -22.0317 -22.0317 -14.2190 -14.2190 -6.1000 -6.1000 -5.8402 -5.8402 -5.8215 -5.8215 -0.8354 -0.8354 0.9134 0.9134 1.2487 1.2487 6.1454 6.1454 6.3042 6.3042 6.6005 6.6005 7.6230 7.6230 7.6298 7.6298 8.7360 8.7360 9.4476 9.4476 9.5917 9.5917 10.1422 10.1422 14.1152 14.1152 14.1397 14.1397 14.4739 14.4739 15.4639 15.4639 k =-0.5000 0.4983-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1072 -22.0317 -22.0317 -14.2189 -14.2189 -6.0983 -6.0983 -5.8410 -5.8410 -5.8219 -5.8219 -0.8356 -0.8356 0.9129 0.9129 1.2489 1.2489 6.1437 6.1437 6.3029 6.3029 6.5993 6.5993 7.6222 7.6222 7.6293 7.6293 8.7351 8.7351 9.4491 9.4491 9.5928 9.5928 10.1431 10.1431 14.1162 14.1162 14.1409 14.1409 14.4750 14.4750 15.4640 15.4640 k =-0.5000 0.4983-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1072 -22.0317 -22.0317 -14.2189 -14.2189 -6.0983 -6.0983 -5.8410 -5.8410 -5.8219 -5.8219 -0.8356 -0.8356 0.9129 0.9129 1.2489 1.2489 6.1437 6.1437 6.3029 6.3029 6.5993 6.5993 7.6222 7.6222 7.6293 7.6293 8.7351 8.7351 9.4491 9.4491 9.5928 9.5928 10.1431 10.1431 14.1162 14.1162 14.1409 14.1409 14.4750 14.4750 15.4640 15.4640 k =-0.4983 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1071 -22.0317 -22.0317 -14.2189 -14.2189 -6.0985 -6.0983 -5.8414 -5.8405 -5.8222 -5.8215 -0.8356 -0.8355 0.9128 0.9131 1.2488 1.2489 6.1438 6.1438 6.3028 6.3030 6.5993 6.5994 7.6220 7.6223 7.6293 7.6296 8.7351 8.7351 9.4485 9.4496 9.5921 9.5934 10.1430 10.1431 14.1161 14.1162 14.1408 14.1409 14.4749 14.4750 15.4640 15.4640 k =-0.4983 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1071 -22.0317 -22.0317 -14.2189 -14.2189 -6.0985 -6.0983 -5.8414 -5.8405 -5.8222 -5.8215 -0.8356 -0.8355 0.9128 0.9131 1.2488 1.2489 6.1438 6.1438 6.3028 6.3030 6.5993 6.5994 7.6220 7.6223 7.6293 7.6296 8.7351 8.7351 9.4485 9.4496 9.5921 9.5934 10.1430 10.1431 14.1161 14.1162 14.1408 14.1409 14.4749 14.4750 15.4640 15.4640 k =-0.4983 0.5000 0.0126 ( 2724 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7260 -22.1071 -22.1071 -22.0318 -22.0317 -14.2188 -14.2187 -6.0977 -6.0975 -5.8411 -5.8402 -5.8220 -5.8213 -0.8384 -0.8348 0.9116 0.9119 1.2443 1.2491 6.1433 6.1446 6.3056 6.3058 6.5993 6.5994 7.6227 7.6232 7.6299 7.6306 8.7303 8.7308 9.4497 9.4508 9.5928 9.5941 10.1431 10.1432 14.1164 14.1174 14.1407 14.1412 14.4753 14.4755 15.4688 15.4700 k =-0.4983 0.5000 0.0252 ( 2726 PWs) bands (ev): -45.9837 -45.9837 -22.7262 -22.7260 -22.1071 -22.1071 -22.0320 -22.0318 -14.2184 -14.2184 -6.0953 -6.0950 -5.8404 -5.8393 -5.8213 -5.8206 -0.8434 -0.8363 0.9079 0.9082 1.2355 1.2450 6.1433 6.1457 6.3140 6.3142 6.5993 6.5993 7.6245 7.6257 7.6324 7.6335 8.7165 8.7175 9.4534 9.4545 9.5948 9.5962 10.1434 10.1435 14.1180 14.1201 14.1412 14.1420 14.4764 14.4768 15.4842 15.4866 k =-0.4983 0.5000 0.0378 ( 2732 PWs) bands (ev): -45.9837 -45.9837 -22.7264 -22.7261 -22.1071 -22.1071 -22.0324 -22.0321 -14.2179 -14.2179 -6.0912 -6.0908 -5.8392 -5.8378 -5.8201 -5.8194 -0.8505 -0.8399 0.9019 0.9022 1.2226 1.2367 6.1435 6.1469 6.3280 6.3284 6.5992 6.5993 7.6272 7.6292 7.6372 7.6386 8.6941 8.6954 9.4594 9.4605 9.5981 9.5997 10.1439 10.1441 14.1207 14.1242 14.1426 14.1432 14.4783 14.4789 15.5099 15.5134 k =-0.4983 0.5000 0.0505 ( 2736 PWs) bands (ev): -45.9837 -45.9837 -22.7266 -22.7262 -22.1071 -22.1071 -22.0330 -22.0326 -14.2172 -14.2171 -6.0856 -6.0851 -5.8374 -5.8357 -5.8185 -5.8178 -0.8597 -0.8457 0.8934 0.8938 1.2056 1.2242 6.1440 6.1480 6.3474 6.3482 6.5992 6.5992 7.6303 7.6335 7.6443 7.6459 8.6634 8.6650 9.4676 9.4688 9.6028 9.6046 10.1446 10.1448 14.1241 14.1295 14.1454 14.1456 14.4810 14.4818 15.5454 15.5500 k =-0.4983 0.5000 0.0631 ( 2736 PWs) bands (ev): -45.9836 -45.9836 -22.7267 -22.7263 -22.1071 -22.1071 -22.0336 -22.0331 -14.2162 -14.2162 -6.0784 -6.0778 -5.8351 -5.8331 -5.8164 -5.8157 -0.8709 -0.8535 0.8827 0.8831 1.1849 1.2077 6.1446 6.1490 6.3722 6.3735 6.5991 6.5991 7.6340 7.6383 7.6538 7.6554 8.6251 8.6270 9.4779 9.4792 9.6089 9.6108 10.1456 10.1457 14.1277 14.1353 14.1494 14.1508 14.4845 14.4855 15.5901 15.5955 k =-0.4983 0.5000 0.0757 ( 2736 PWs) bands (ev): -45.9836 -45.9836 -22.7270 -22.7265 -22.1070 -22.1070 -22.0343 -22.0337 -14.2151 -14.2150 -6.0697 -6.0689 -5.8323 -5.8299 -5.8139 -5.8132 -0.8840 -0.8633 0.8698 0.8702 1.1606 1.1875 6.1453 6.1498 6.4023 6.4040 6.5990 6.5990 7.6381 7.6436 7.6652 7.6669 8.5798 8.5819 9.4903 9.4917 9.6162 9.6183 10.1467 10.1468 14.1316 14.1408 14.1563 14.1585 14.4888 14.4898 15.6431 15.6492 k =-0.4983 0.5000 0.0883 ( 2738 PWs) bands (ev): -45.9836 -45.9836 -22.7272 -22.7267 -22.1070 -22.1070 -22.0351 -22.0344 -14.2137 -14.2137 -6.0595 -6.0586 -5.8290 -5.8263 -5.8110 -5.8103 -0.8989 -0.8752 0.8547 0.8553 1.1330 1.1637 6.1459 6.1505 6.4373 6.4394 6.5989 6.5990 7.6427 7.6494 7.6782 7.6801 8.5284 8.5305 9.5046 9.5062 9.6250 9.6271 10.1480 10.1481 14.1361 14.1460 14.1661 14.1684 14.4937 14.4949 15.7037 15.7103 k =-0.4983 0.5000 0.1009 ( 2739 PWs) bands (ev): -45.9836 -45.9836 -22.7275 -22.7269 -22.1069 -22.1069 -22.0360 -22.0353 -14.2122 -14.2122 -6.0479 -6.0468 -5.8252 -5.8222 -5.8076 -5.8069 -0.9155 -0.8888 0.8377 0.8383 1.1024 1.1367 6.1464 6.1509 6.4769 6.4791 6.5988 6.5992 7.6475 7.6555 7.6926 7.6947 8.4715 8.4736 9.5208 9.5226 9.6350 9.6373 10.1495 10.1496 14.1415 14.1518 14.1783 14.1805 14.4994 14.5006 15.7707 15.7778 k =-0.4983 0.5000 0.1135 ( 2751 PWs) bands (ev): -45.9836 -45.9836 -22.7279 -22.7272 -22.1069 -22.1069 -22.0371 -22.0363 -14.2105 -14.2105 -6.0348 -6.0336 -5.8209 -5.8176 -5.8039 -5.8032 -0.9338 -0.9043 0.8188 0.8195 1.0692 1.1068 6.1468 6.1512 6.5207 6.5226 6.5988 6.5996 7.6523 7.6618 7.7080 7.7104 8.4102 8.4122 9.5389 9.5408 9.6465 9.6488 10.1512 10.1513 14.1483 14.1586 14.1923 14.1943 14.5057 14.5070 15.8434 15.8508 k =-0.4983 0.5000 0.1261 ( 2750 PWs) bands (ev): -45.9835 -45.9835 -22.7282 -22.7275 -22.1068 -22.1068 -22.0382 -22.0373 -14.2086 -14.2086 -6.0205 -6.0192 -5.8162 -5.8125 -5.7997 -5.7991 -0.9535 -0.9214 0.7982 0.7990 1.0337 1.0742 6.1471 6.1512 6.5674 6.5683 6.5992 6.6020 7.6569 7.6679 7.7239 7.7267 8.3456 8.3473 9.5587 9.5609 9.6595 9.6618 10.1530 10.1532 14.1567 14.1669 14.2080 14.2098 14.5126 14.5140 15.9207 15.9283 k =-0.4983 0.5000 0.1388 ( 2741 PWs) bands (ev): -45.9835 -45.9835 -22.7286 -22.7277 -22.1067 -22.1067 -22.0394 -22.0384 -14.2066 -14.2066 -6.0049 -6.0035 -5.8111 -5.8070 -5.7952 -5.7946 -0.9746 -0.9401 0.7761 0.7770 0.9962 1.0392 6.1472 6.1511 6.5935 6.5971 6.6211 6.6268 7.6609 7.6735 7.7400 7.7433 8.2788 8.2802 9.5804 9.5828 9.6739 9.6762 10.1550 10.1552 14.1666 14.1767 14.2252 14.2268 14.5201 14.5215 16.0017 16.0094 k =-0.4983 0.5000 0.1514 ( 2736 PWs) bands (ev): -45.9835 -45.9835 -22.7289 -22.7281 -22.1066 -22.1066 -22.0406 -22.0396 -14.2044 -14.2044 -5.9882 -5.9866 -5.8056 -5.8012 -5.7904 -5.7898 -0.9969 -0.9602 0.7525 0.7535 0.9570 1.0023 6.1471 6.1509 6.5961 6.5979 6.6744 6.6776 7.6635 7.6777 7.7556 7.7596 8.2116 8.2123 9.6038 9.6064 9.6899 9.6922 10.1572 10.1574 14.1783 14.1881 14.2438 14.2452 14.5281 14.5295 16.0855 16.0933 k =-0.4983 0.5000 0.1640 ( 2738 PWs) bands (ev): -45.9834 -45.9834 -22.7294 -22.7284 -22.1065 -22.1065 -22.0420 -22.0409 -14.2021 -14.2021 -5.9705 -5.9687 -5.7998 -5.7950 -5.7852 -5.7846 -1.0203 -0.9816 0.7277 0.7288 0.9165 0.9637 6.1468 6.1504 6.5967 6.5980 6.7308 6.7324 7.6639 7.6795 7.7698 7.7746 8.1456 8.1465 9.6290 9.6317 9.7074 9.7096 10.1594 10.1597 14.1916 14.2012 14.2636 14.2648 14.5366 14.5380 16.1711 16.1789 k =-0.4983 0.5000 0.1766 ( 2740 PWs) bands (ev): -45.9834 -45.9834 -22.7298 -22.7288 -22.1064 -22.1064 -22.0434 -22.0422 -14.1997 -14.1997 -5.9518 -5.9498 -5.7936 -5.7885 -5.7798 -5.7792 -1.0445 -1.0042 0.7018 0.7031 0.8750 0.9238 6.1463 6.1496 6.5970 6.5980 6.7891 6.7893 7.6603 7.6768 7.7816 7.7873 8.0840 8.0865 9.6558 9.6587 9.7265 9.7287 10.1618 10.1622 14.2066 14.2158 14.2845 14.2857 14.5455 14.5469 16.2574 16.2653 k =-0.4983 0.5000 0.1892 ( 2738 PWs) bands (ev): -45.9834 -45.9834 -22.7302 -22.7292 -22.1063 -22.1063 -22.0448 -22.0436 -14.1972 -14.1972 -5.9322 -5.9301 -5.7871 -5.7817 -5.7741 -5.7734 -1.0696 -1.0277 0.6750 0.6764 0.8329 0.8829 6.1455 6.1486 6.5971 6.5981 6.8474 6.8490 7.6500 7.6661 7.7902 7.7961 8.0317 8.0366 9.6842 9.6872 9.7472 9.7494 10.1643 10.1647 14.2231 14.2320 14.3065 14.3075 14.5547 14.5562 16.3436 16.3516 k =-0.4983 0.5000 0.2018 ( 2734 PWs) bands (ev): -45.9833 -45.9833 -22.7307 -22.7296 -22.1062 -22.1061 -22.0463 -22.0450 -14.1946 -14.1946 -5.9119 -5.9096 -5.7805 -5.7746 -5.7681 -5.7675 -1.0952 -1.0521 0.6475 0.6491 0.7904 0.8412 6.1444 6.1473 6.5973 6.5981 6.9061 6.9098 7.6288 7.6427 7.7951 7.8004 7.9942 8.0017 9.7140 9.7171 9.7695 9.7717 10.1669 10.1674 14.2411 14.2496 14.3293 14.3303 14.5642 14.5657 16.4287 16.4367 k =-0.4983 0.5000 0.2144 ( 2732 PWs) bands (ev): -45.9833 -45.9833 -22.7311 -22.7301 -22.1061 -22.1060 -22.0478 -22.0465 -14.1919 -14.1919 -5.8911 -5.8885 -5.7736 -5.7673 -5.7619 -5.7612 -1.1212 -1.0772 0.6194 0.6212 0.7478 0.7991 6.1429 6.1457 6.5974 6.5982 6.9649 6.9710 7.5935 7.6039 7.7969 7.8026 7.9744 7.9835 9.7452 9.7484 9.7934 9.7956 10.1696 10.1702 14.2604 14.2685 14.3530 14.3539 14.5740 14.5755 16.5114 16.5198 k =-0.4983 0.5000 0.2270 ( 2728 PWs) bands (ev): -45.9832 -45.9832 -22.7316 -22.7305 -22.1060 -22.1059 -22.0493 -22.0480 -14.1892 -14.1892 -5.8697 -5.8668 -5.7666 -5.7599 -5.7554 -5.7548 -1.1475 -1.1028 0.5910 0.5930 0.7054 0.7568 6.1410 6.1436 6.5976 6.5983 7.0233 7.0320 7.5442 7.5511 7.7968 7.8067 7.9693 7.9786 9.7777 9.7809 9.8188 9.8210 10.1723 10.1731 14.2809 14.2886 14.3773 14.3782 14.5839 14.5854 16.5909 16.5997 k =-0.4983 0.5000 0.2397 ( 2730 PWs) bands (ev): -45.9832 -45.9832 -22.7321 -22.7310 -22.1058 -22.1058 -22.0509 -22.0495 -14.1864 -14.1864 -5.8481 -5.8449 -5.7596 -5.7524 -5.7487 -5.7481 -1.1739 -1.1288 0.5623 0.5646 0.6636 0.7147 6.1386 6.1410 6.5978 6.5985 7.0804 7.0923 7.4846 7.4892 7.7978 7.8129 7.9733 7.9821 9.8111 9.8144 9.8456 9.8479 10.1751 10.1761 14.3024 14.3097 14.4022 14.4030 14.5940 14.5955 16.6658 16.6752 k =-0.4983 0.5000 0.2523 ( 2726 PWs) bands (ev): -45.9831 -45.9831 -22.7325 -22.7314 -22.1057 -22.1057 -22.0524 -22.0510 -14.1836 -14.1836 -5.8264 -5.8227 -5.7525 -5.7448 -5.7418 -5.7412 -1.2002 -1.1550 0.5335 0.5362 0.6224 0.6729 6.1356 6.1378 6.5980 6.5986 7.1356 7.1508 7.4195 7.4227 7.8010 7.8211 7.9819 7.9902 9.8455 9.8488 9.8738 9.8761 10.1780 10.1791 14.3248 14.3317 14.4276 14.4283 14.6041 14.6056 16.7351 16.7455 k =-0.4983 0.5000 0.2649 ( 2722 PWs) bands (ev): -45.9831 -45.9831 -22.7330 -22.7319 -22.1056 -22.1056 -22.0539 -22.0525 -14.1809 -14.1808 -5.8048 -5.8004 -5.7455 -5.7371 -5.7348 -5.7340 -1.2263 -1.1812 0.5048 0.5080 0.5822 0.6316 6.1320 6.1340 6.5982 6.5988 7.1866 7.2057 7.3536 7.3563 7.8063 7.8309 7.9928 8.0006 9.8805 9.8837 9.9030 9.9056 10.1808 10.1822 14.3479 14.3545 14.4532 14.4539 14.6142 14.6157 16.7976 16.8093 k =-0.4983 0.5000 0.2775 ( 2732 PWs) bands (ev): -45.9830 -45.9830 -22.7336 -22.7324 -22.1056 -22.1055 -22.0555 -22.0541 -14.1781 -14.1781 -5.7837 -5.7783 -5.7386 -5.7293 -5.7275 -5.7265 -1.2520 -1.2074 0.4763 0.4801 0.5433 0.5912 6.1276 6.1295 6.5985 6.5991 7.2221 7.2411 7.3027 7.3044 7.8134 7.8420 8.0045 8.0119 9.9158 9.9191 9.9332 9.9361 10.1837 10.1853 14.3715 14.3778 14.4789 14.4796 14.6241 14.6257 16.8523 16.8657 k =-0.4983 0.5000 0.2901 ( 2740 PWs) bands (ev): -45.9830 -45.9830 -22.7341 -22.7330 -22.1055 -22.1054 -22.0570 -22.0557 -14.1753 -14.1753 -5.7637 -5.7567 -5.7318 -5.7210 -5.7201 -5.7185 -1.2772 -1.2332 0.4481 0.4526 0.5058 0.5518 6.1224 6.1241 6.5987 6.5993 7.1940 7.1998 7.3113 7.3299 7.8222 7.8546 8.0163 8.0233 9.9513 9.9546 9.9642 9.9674 10.1866 10.1885 14.3955 14.4015 14.5047 14.5054 14.6340 14.6355 16.8985 16.9140 k =-0.4983 0.5000 0.3027 ( 2740 PWs) bands (ev): -45.9830 -45.9830 -22.7345 -22.7335 -22.1054 -22.1053 -22.0585 -22.0572 -14.1726 -14.1726 -5.7457 -5.7361 -5.7253 -5.7131 -5.7113 -5.7090 -1.3017 -1.2587 0.4204 0.4258 0.4700 0.5137 6.1163 6.1178 6.5990 6.5995 7.1339 7.1369 7.3509 7.3758 7.8329 7.8684 8.0277 8.0345 9.9866 9.9898 9.9959 9.9994 10.1894 10.1918 14.4197 14.4255 14.5304 14.5310 14.6436 14.6452 16.9361 16.9540 k =-0.4983 0.5000 0.3153 ( 2740 PWs) bands (ev): -45.9829 -45.9829 -22.7350 -22.7339 -22.1053 -22.1052 -22.0599 -22.0586 -14.1700 -14.1700 -5.7310 -5.7189 -5.7183 -5.7058 -5.7001 -5.6964 -1.3253 -1.2836 0.3931 0.3998 0.4362 0.4769 6.1092 6.1105 6.5993 6.5998 7.0721 7.0742 7.3916 7.4204 7.8455 7.8836 8.0385 8.0451 10.0214 10.0241 10.0282 10.0319 10.1923 10.1952 14.4439 14.4494 14.5558 14.5564 14.6530 14.6546 16.9652 16.9858 k =-0.4983 0.5000 0.3280 ( 2746 PWs) bands (ev): -45.9829 -45.9829 -22.7354 -22.7344 -22.1052 -22.1051 -22.0613 -22.0601 -14.1675 -14.1675 -5.7199 -5.7128 -5.7057 -5.6987 -5.6847 -5.6808 -1.3480 -1.3077 0.3663 0.3746 0.4046 0.4418 6.1011 6.1022 6.5996 6.6000 7.0127 7.0144 7.4295 7.4611 7.8601 7.9001 8.0485 8.0551 10.0554 10.0567 10.0613 10.0646 10.1953 10.1988 14.4679 14.4732 14.5807 14.5813 14.6620 14.6637 16.9864 17.0098 k =-0.4983 0.5000 0.3406 ( 2750 PWs) bands (ev): -45.9829 -45.9829 -22.7359 -22.7349 -22.1051 -22.1050 -22.0626 -22.0615 -14.1650 -14.1650 -5.7114 -5.7069 -5.6968 -5.6918 -5.6665 -5.6635 -1.3695 -1.3310 0.3402 0.3504 0.3753 0.4084 6.0919 6.0929 6.5999 6.6003 6.9569 6.9584 7.4639 7.4973 7.8769 7.9178 8.0577 8.0642 10.0878 10.0883 10.0944 10.0969 10.1983 10.2027 14.4916 14.4967 14.6050 14.6056 14.6707 14.6724 17.0010 17.0272 k =-0.4983 0.5000 0.3532 ( 2756 PWs) bands (ev): -45.9828 -45.9828 -22.7363 -22.7354 -22.1050 -22.1050 -22.0639 -22.0628 -14.1627 -14.1627 -5.7043 -5.7013 -5.6893 -5.6852 -5.6479 -5.6457 -1.3899 -1.3534 0.3149 0.3273 0.3485 0.3769 6.0817 6.0825 6.6002 6.6006 6.9054 6.9067 7.4944 7.5286 7.8958 7.9364 8.0660 8.0726 10.1174 10.1200 10.1264 10.1282 10.2017 10.2075 14.5147 14.5196 14.6286 14.6292 14.6790 14.6808 17.0101 17.0390 k =-0.4983 0.5000 0.3658 ( 2758 PWs) bands (ev): -45.9828 -45.9828 -22.7367 -22.7358 -22.1050 -22.1049 -22.0651 -22.0640 -14.1605 -14.1605 -5.6982 -5.6961 -5.6826 -5.6790 -5.6299 -5.6283 -1.4089 -1.3745 0.2906 0.3053 0.3241 0.3476 6.0706 6.0713 6.6004 6.6008 6.8584 6.8596 7.5210 7.5549 7.9165 7.9557 8.0734 8.0801 10.1445 10.1505 10.1567 10.1574 10.2061 10.2138 14.5370 14.5418 14.6511 14.6517 14.6868 14.6887 17.0151 17.0463 k =-0.4983 0.5000 0.3784 ( 2746 PWs) bands (ev): -45.9828 -45.9827 -22.7370 -22.7362 -22.1048 -22.1048 -22.0661 -22.0651 -14.1584 -14.1584 -5.6927 -5.6912 -5.6764 -5.6731 -5.6128 -5.6116 -1.4264 -1.3945 0.2678 0.2845 0.3020 0.3207 6.0587 6.0592 6.6007 6.6011 6.8163 6.8173 7.5440 7.5765 7.9386 7.9752 8.0801 8.0869 10.1673 10.1791 10.1816 10.1851 10.2141 10.2235 14.5584 14.5631 14.6724 14.6730 14.6943 14.6962 17.0171 17.0501 k =-0.4983 0.5000 0.3910 ( 2742 PWs) bands (ev): -45.9827 -45.9827 -22.7372 -22.7365 -22.1048 -22.1047 -22.0670 -22.0661 -14.1565 -14.1565 -5.6878 -5.6866 -5.6707 -5.6677 -5.5969 -5.5960 -1.4424 -1.4131 0.2466 0.2648 0.2821 0.2963 6.0463 6.0467 6.6010 6.6013 6.7790 6.7799 7.5635 7.5939 7.9612 7.9945 8.0858 8.0928 10.1832 10.1947 10.2069 10.2113 10.2304 10.2384 14.5786 14.5832 14.6913 14.6922 14.7022 14.7039 17.0173 17.0511 k =-0.4983 0.5000 0.4036 ( 2752 PWs) bands (ev): -45.9827 -45.9827 -22.7376 -22.7369 -22.1047 -22.1047 -22.0680 -22.0671 -14.1547 -14.1547 -5.6834 -5.6825 -5.6654 -5.6628 -5.5823 -5.5816 -1.4568 -1.4302 0.2274 0.2463 0.2643 0.2746 6.0336 6.0339 6.6012 6.6015 6.7465 6.7473 7.5800 7.6076 7.9838 8.0131 8.0908 8.0981 10.1927 10.2006 10.2321 10.2356 10.2523 10.2575 14.5976 14.6019 14.7035 14.7053 14.7148 14.7156 17.0165 17.0492 k =-0.4983 0.5000 0.4163 ( 2756 PWs) bands (ev): -45.9827 -45.9827 -22.7378 -22.7372 -22.1047 -22.1046 -22.0688 -22.0680 -14.1532 -14.1532 -5.6795 -5.6788 -5.6607 -5.6583 -5.5691 -5.5686 -1.4694 -1.4458 0.2103 0.2290 0.2486 0.2559 6.0211 6.0213 6.6015 6.6017 6.7187 6.7193 7.5938 7.6183 8.0057 8.0304 8.0951 8.1026 10.1983 10.2038 10.2551 10.2579 10.2743 10.2777 14.6149 14.6191 14.7099 14.7120 14.7308 14.7313 17.0157 17.0422 k =-0.4983 0.5000 0.4289 ( 2756 PWs) bands (ev): -45.9827 -45.9827 -22.7381 -22.7375 -22.1046 -22.1046 -22.0695 -22.0688 -14.1518 -14.1518 -5.6761 -5.6755 -5.6565 -5.6545 -5.5574 -5.5570 -1.4803 -1.4598 0.1955 0.2130 0.2349 0.2400 6.0092 6.0093 6.6017 6.6019 6.6953 6.6958 7.6053 7.6264 8.0260 8.0460 8.0987 8.1065 10.2020 10.2060 10.2757 10.2779 10.2944 10.2968 14.6306 14.6345 14.7148 14.7170 14.7459 14.7463 17.0154 17.0255 k =-0.4983 0.5000 0.4415 ( 2760 PWs) bands (ev): -45.9826 -45.9826 -22.7382 -22.7378 -22.1046 -22.1046 -22.0701 -22.0695 -14.1506 -14.1506 -5.6732 -5.6727 -5.6529 -5.6511 -5.5474 -5.5471 -1.4893 -1.4720 0.1832 0.1987 0.2233 0.2269 5.9982 5.9983 6.6018 6.6020 6.6761 6.6764 7.6147 7.6323 8.0445 8.0596 8.1016 8.1097 10.2047 10.2076 10.2935 10.2953 10.3121 10.3139 14.6443 14.6480 14.7188 14.7209 14.7591 14.7595 16.9998 17.0159 k =-0.4983 0.5000 0.4541 ( 2764 PWs) bands (ev): -45.9826 -45.9826 -22.7384 -22.7380 -22.1046 -22.1045 -22.0705 -22.0701 -14.1496 -14.1496 -5.6708 -5.6704 -5.6499 -5.6484 -5.5391 -5.5389 -1.4964 -1.4824 0.1733 0.1863 0.2138 0.2163 5.9886 5.9886 6.6020 6.6021 6.6608 6.6611 7.6224 7.6364 8.0604 8.0709 8.1040 8.1121 10.2067 10.2088 10.3084 10.3098 10.3269 10.3283 14.6560 14.6593 14.7220 14.7239 14.7703 14.7706 16.9745 16.9844 k =-0.4983 0.5000 0.4667 ( 2768 PWs) bands (ev): -45.9826 -45.9826 -22.7385 -22.7382 -22.1046 -22.1045 -22.0709 -22.0706 -14.1488 -14.1488 -5.6689 -5.6686 -5.6474 -5.6463 -5.5325 -5.5324 -1.5015 -1.4910 0.1660 0.1760 0.2064 0.2083 5.9807 5.9807 6.6021 6.6022 6.6492 6.6494 7.6285 7.6390 8.0735 8.0797 8.1060 8.1137 10.2081 10.2096 10.3202 10.3213 10.3387 10.3398 14.6655 14.6682 14.7244 14.7262 14.7792 14.7794 16.9532 16.9594 k =-0.4983 0.5000 0.4793 ( 2778 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7384 -22.1046 -22.1045 -22.0712 -22.0710 -14.1483 -14.1483 -5.6675 -5.6673 -5.6456 -5.6449 -5.5278 -5.5277 -1.5047 -1.4976 0.1612 0.1680 0.2011 0.2025 5.9748 5.9748 6.6022 6.6023 6.6411 6.6412 7.6332 7.6403 8.0832 8.0860 8.1079 8.1143 10.2092 10.2101 10.3287 10.3296 10.3472 10.3481 14.6726 14.6745 14.7263 14.7276 14.7856 14.7858 16.9376 16.9417 k =-0.4983 0.5000 0.4919 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7387 -22.7386 -22.1046 -22.1045 -22.0714 -22.0713 -14.1480 -14.1480 -5.6667 -5.6665 -5.6445 -5.6441 -5.5250 -5.5249 -1.5059 -1.5023 0.1590 0.1625 0.1979 0.1991 5.9712 5.9712 6.6023 6.6023 6.6363 6.6363 7.6367 7.6403 8.0890 8.0899 8.1099 8.1137 10.2099 10.2104 10.3339 10.3346 10.3524 10.3531 14.6771 14.6781 14.7275 14.7282 14.7895 14.7896 16.9281 16.9309 k =-0.4983 0.5000 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1045 -22.0714 -22.0714 -14.1478 -14.1478 -5.6665 -5.6663 -5.6441 -5.6439 -5.5240 -5.5239 -1.5055 -1.5048 0.1593 0.1597 0.1969 0.1979 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6387 7.6394 8.0910 8.0911 8.1115 8.1126 10.2103 10.2103 10.3356 10.3363 10.3541 10.3548 14.6790 14.6790 14.7281 14.7282 14.7909 14.7909 16.9250 16.9273 k =-0.4983 0.5000 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1045 -22.0714 -22.0714 -14.1478 -14.1478 -5.6665 -5.6663 -5.6441 -5.6439 -5.5240 -5.5239 -1.5055 -1.5048 0.1593 0.1597 0.1969 0.1979 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6387 7.6394 8.0910 8.0911 8.1115 8.1126 10.2103 10.2103 10.3356 10.3363 10.3541 10.3548 14.6790 14.6790 14.7281 14.7282 14.7909 14.7909 16.9250 16.9273 k =-0.5000 0.4983 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1046 -22.0714 -22.0714 -14.1478 -14.1478 -5.6663 -5.6663 -5.6439 -5.6439 -5.5240 -5.5240 -1.5052 -1.5052 0.1594 0.1594 0.1974 0.1974 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6391 7.6391 8.0911 8.0911 8.1121 8.1121 10.2104 10.2104 10.3360 10.3360 10.3545 10.3545 14.6790 14.6790 14.7282 14.7282 14.7909 14.7909 16.9262 16.9262 k =-0.5000 0.4983 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1046 -22.0714 -22.0714 -14.1478 -14.1478 -5.6663 -5.6663 -5.6439 -5.6439 -5.5240 -5.5240 -1.5052 -1.5052 0.1594 0.1594 0.1974 0.1974 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6391 7.6391 8.0911 8.0911 8.1121 8.1121 10.2104 10.2104 10.3360 10.3360 10.3545 10.3545 14.6790 14.6790 14.7282 14.7282 14.7909 14.7909 16.9262 16.9262 k =-0.5000 0.4983 0.4919 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7387 -22.7386 -22.1046 -22.1046 -22.0714 -22.0713 -14.1480 -14.1480 -5.6666 -5.6666 -5.6444 -5.6441 -5.5250 -5.5249 -1.5060 -1.5024 0.1590 0.1624 0.1983 0.1986 5.9712 5.9712 6.6022 6.6023 6.6363 6.6363 7.6368 7.6403 8.0891 8.0900 8.1099 8.1137 10.2100 10.2104 10.3342 10.3344 10.3527 10.3529 14.6772 14.6782 14.7276 14.7283 14.7896 14.7896 16.9287 16.9304 k =-0.5000 0.4983 0.4793 ( 2776 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7384 -22.1045 -22.1045 -22.0712 -22.0710 -14.1483 -14.1483 -5.6675 -5.6673 -5.6456 -5.6449 -5.5278 -5.5277 -1.5047 -1.4977 0.1612 0.1680 0.2014 0.2022 5.9748 5.9748 6.6022 6.6022 6.6411 6.6412 7.6333 7.6403 8.0832 8.0861 8.1079 8.1143 10.2093 10.2102 10.3289 10.3295 10.3474 10.3479 14.6726 14.6745 14.7263 14.7276 14.7856 14.7858 16.9380 16.9414 k =-0.5000 0.4983 0.4667 ( 2768 PWs) bands (ev): -45.9826 -45.9826 -22.7385 -22.7382 -22.1045 -22.1045 -22.0709 -22.0706 -14.1488 -14.1488 -5.6688 -5.6686 -5.6474 -5.6463 -5.5325 -5.5324 -1.5016 -1.4910 0.1659 0.1759 0.2066 0.2080 5.9807 5.9807 6.6021 6.6022 6.6492 6.6494 7.6285 7.6390 8.0735 8.0797 8.1061 8.1137 10.2082 10.2097 10.3204 10.3212 10.3389 10.3397 14.6655 14.6682 14.7245 14.7262 14.7792 14.7794 16.9535 16.9592 k =-0.5000 0.4983 0.4541 ( 2764 PWs) bands (ev): -45.9826 -45.9826 -22.7384 -22.7380 -22.1046 -22.1045 -22.0705 -22.0701 -14.1496 -14.1496 -5.6707 -5.6704 -5.6498 -5.6484 -5.5391 -5.5389 -1.4964 -1.4824 0.1733 0.1862 0.2140 0.2161 5.9885 5.9886 6.6019 6.6021 6.6608 6.6611 7.6224 7.6364 8.0605 8.0709 8.1040 8.1121 10.2067 10.2088 10.3085 10.3097 10.3271 10.3282 14.6561 14.6593 14.7220 14.7240 14.7703 14.7706 16.9748 16.9838 k =-0.5000 0.4983 0.4415 ( 2760 PWs) bands (ev): -45.9826 -45.9826 -22.7382 -22.7378 -22.1046 -22.1046 -22.0701 -22.0695 -14.1506 -14.1506 -5.6731 -5.6727 -5.6529 -5.6511 -5.5474 -5.5471 -1.4893 -1.4720 0.1831 0.1987 0.2235 0.2266 5.9982 5.9982 6.6018 6.6020 6.6760 6.6764 7.6147 7.6323 8.0445 8.0597 8.1016 8.1097 10.2048 10.2076 10.2936 10.2952 10.3122 10.3138 14.6444 14.6480 14.7188 14.7209 14.7592 14.7595 17.0001 17.0154 k =-0.5000 0.4983 0.4289 ( 2756 PWs) bands (ev): -45.9827 -45.9827 -22.7381 -22.7375 -22.1046 -22.1046 -22.0695 -22.0688 -14.1518 -14.1518 -5.6760 -5.6755 -5.6565 -5.6544 -5.5574 -5.5570 -1.4803 -1.4598 0.1955 0.2130 0.2351 0.2398 6.0091 6.0093 6.6016 6.6018 6.6953 6.6958 7.6053 7.6264 8.0261 8.0461 8.0987 8.1065 10.2021 10.2061 10.2758 10.2778 10.2945 10.2968 14.6306 14.6346 14.7148 14.7170 14.7459 14.7463 17.0155 17.0253 k =-0.5000 0.4983 0.4163 ( 2756 PWs) bands (ev): -45.9827 -45.9827 -22.7378 -22.7372 -22.1047 -22.1046 -22.0688 -22.0680 -14.1532 -14.1531 -5.6795 -5.6788 -5.6607 -5.6583 -5.5691 -5.5686 -1.4695 -1.4459 0.2103 0.2289 0.2487 0.2557 6.0211 6.0213 6.6014 6.6017 6.7187 6.7193 7.5938 7.6183 8.0057 8.0304 8.0951 8.1026 10.1984 10.2039 10.2552 10.2579 10.2743 10.2777 14.6150 14.6192 14.7100 14.7121 14.7308 14.7313 17.0157 17.0422 k =-0.5000 0.4983 0.4036 ( 2752 PWs) bands (ev): -45.9827 -45.9827 -22.7376 -22.7369 -22.1047 -22.1047 -22.0680 -22.0671 -14.1547 -14.1547 -5.6834 -5.6825 -5.6654 -5.6627 -5.5823 -5.5816 -1.4568 -1.4303 0.2274 0.2462 0.2644 0.2744 6.0336 6.0339 6.6012 6.6015 6.7465 6.7473 7.5800 7.6076 7.9839 8.0131 8.0908 8.0981 10.1927 10.2007 10.2322 10.2356 10.2523 10.2575 14.5976 14.6020 14.7036 14.7054 14.7148 14.7156 17.0164 17.0491 k =-0.5000 0.4983 0.3910 ( 2740 PWs) bands (ev): -45.9827 -45.9827 -22.7372 -22.7365 -22.1048 -22.1047 -22.0670 -22.0661 -14.1565 -14.1565 -5.6878 -5.6866 -5.6706 -5.6677 -5.5969 -5.5960 -1.4425 -1.4131 0.2466 0.2647 0.2822 0.2961 6.0462 6.0467 6.6009 6.6013 6.7790 6.7799 7.5636 7.5939 7.9613 7.9946 8.0858 8.0928 10.1833 10.1948 10.2070 10.2113 10.2305 10.2385 14.5787 14.5832 14.6914 14.6922 14.7022 14.7040 17.0172 17.0510 k =-0.5000 0.4983 0.3784 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7369 -22.7361 -22.1048 -22.1048 -22.0660 -22.0651 -14.1584 -14.1584 -5.6927 -5.6912 -5.6763 -5.6731 -5.6129 -5.6117 -1.4265 -1.3945 0.2678 0.2844 0.3020 0.3205 6.0587 6.0592 6.6007 6.6010 6.8163 6.8173 7.5440 7.5765 7.9386 7.9753 8.0801 8.0869 10.1673 10.1792 10.1817 10.1851 10.2141 10.2236 14.5584 14.5631 14.6724 14.6730 14.6943 14.6962 17.0170 17.0500 k =-0.5000 0.4983 0.3658 ( 2756 PWs) bands (ev): -45.9828 -45.9828 -22.7367 -22.7358 -22.1050 -22.1049 -22.0650 -22.0640 -14.1605 -14.1604 -5.6982 -5.6961 -5.6825 -5.6789 -5.6300 -5.6283 -1.4089 -1.3746 0.2907 0.3052 0.3241 0.3475 6.0705 6.0712 6.6004 6.6008 6.8584 6.8596 7.5211 7.5549 7.9166 7.9557 8.0735 8.0801 10.1446 10.1505 10.1567 10.1574 10.2061 10.2139 14.5370 14.5419 14.6512 14.6518 14.6868 14.6887 17.0150 17.0462 k =-0.5000 0.4983 0.3532 ( 2756 PWs) bands (ev): -45.9828 -45.9828 -22.7363 -22.7354 -22.1050 -22.1050 -22.0639 -22.0628 -14.1627 -14.1627 -5.7043 -5.7013 -5.6892 -5.6852 -5.6480 -5.6458 -1.3899 -1.3534 0.3150 0.3271 0.3485 0.3768 6.0817 6.0825 6.6001 6.6005 6.9054 6.9067 7.4944 7.5286 7.8958 7.9364 8.0660 8.0726 10.1174 10.1201 10.1264 10.1283 10.2017 10.2075 14.5147 14.5197 14.6286 14.6292 14.6790 14.6808 17.0100 17.0389 k =-0.5000 0.4983 0.3406 ( 2748 PWs) bands (ev): -45.9829 -45.9829 -22.7359 -22.7349 -22.1051 -22.1050 -22.0626 -22.0615 -14.1650 -14.1650 -5.7113 -5.7069 -5.6966 -5.6918 -5.6666 -5.6636 -1.3696 -1.3311 0.3403 0.3502 0.3753 0.4083 6.0919 6.0929 6.5998 6.6003 6.9569 6.9584 7.4639 7.4974 7.8769 7.9178 8.0577 8.0642 10.0879 10.0883 10.0944 10.0969 10.1983 10.2028 14.4916 14.4967 14.6051 14.6057 14.6708 14.6725 17.0009 17.0271 k =-0.5000 0.4983 0.3280 ( 2748 PWs) bands (ev): -45.9829 -45.9829 -22.7354 -22.7344 -22.1052 -22.1051 -22.0613 -22.0601 -14.1675 -14.1675 -5.7198 -5.7128 -5.7054 -5.6986 -5.6848 -5.6810 -1.3480 -1.3078 0.3664 0.3744 0.4046 0.4417 6.1010 6.1022 6.5995 6.6000 7.0127 7.0144 7.4296 7.4612 7.8601 7.9001 8.0485 8.0550 10.0554 10.0568 10.0614 10.0646 10.1953 10.1988 14.4679 14.4733 14.5807 14.5813 14.6621 14.6638 16.9863 17.0098 k =-0.5000 0.4983 0.3153 ( 2740 PWs) bands (ev): -45.9829 -45.9829 -22.7350 -22.7339 -22.1053 -22.1052 -22.0599 -22.0586 -14.1700 -14.1700 -5.7309 -5.7189 -5.7179 -5.7057 -5.7002 -5.6968 -1.3253 -1.2836 0.3932 0.3996 0.4362 0.4768 6.1092 6.1105 6.5992 6.5997 7.0721 7.0742 7.3916 7.4204 7.8455 7.8836 8.0385 8.0451 10.0214 10.0241 10.0282 10.0320 10.1924 10.1952 14.4439 14.4495 14.5558 14.5564 14.6530 14.6547 16.9651 16.9857 k =-0.5000 0.4983 0.3027 ( 2740 PWs) bands (ev): -45.9830 -45.9830 -22.7345 -22.7335 -22.1054 -22.1053 -22.0585 -22.0572 -14.1726 -14.1726 -5.7456 -5.7359 -5.7253 -5.7130 -5.7109 -5.7098 -1.3017 -1.2587 0.4205 0.4257 0.4700 0.5136 6.1163 6.1178 6.5990 6.5995 7.1339 7.1368 7.3509 7.3759 7.8329 7.8684 8.0277 8.0345 9.9866 9.9898 9.9959 9.9995 10.1895 10.1918 14.4197 14.4255 14.5304 14.5311 14.6437 14.6452 16.9360 16.9539 k =-0.5000 0.4983 0.2901 ( 2740 PWs) bands (ev): -45.9830 -45.9830 -22.7341 -22.7330 -22.1055 -22.1054 -22.0570 -22.0557 -14.1753 -14.1753 -5.7636 -5.7565 -5.7318 -5.7203 -5.7201 -5.7193 -1.2772 -1.2333 0.4483 0.4525 0.5057 0.5518 6.1224 6.1240 6.5987 6.5992 7.1941 7.1998 7.3113 7.3299 7.8222 7.8545 8.0163 8.0233 9.9513 9.9546 9.9643 9.9675 10.1866 10.1885 14.3955 14.4016 14.5048 14.5054 14.6340 14.6356 16.8985 16.9140 k =-0.5000 0.4983 0.2775 ( 2732 PWs) bands (ev): -45.9830 -45.9830 -22.7336 -22.7324 -22.1056 -22.1055 -22.0555 -22.0541 -14.1781 -14.1781 -5.7836 -5.7782 -5.7386 -5.7289 -5.7276 -5.7270 -1.2520 -1.2074 0.4765 0.4799 0.5432 0.5912 6.1276 6.1294 6.5984 6.5990 7.2221 7.2410 7.3028 7.3044 7.8134 7.8420 8.0046 8.0118 9.9158 9.9191 9.9333 9.9361 10.1837 10.1853 14.3715 14.3779 14.4790 14.4797 14.6242 14.6257 16.8522 16.8656 k =-0.5000 0.4983 0.2649 ( 2724 PWs) bands (ev): -45.9831 -45.9831 -22.7330 -22.7319 -22.1056 -22.1056 -22.0539 -22.0526 -14.1809 -14.1808 -5.8047 -5.8003 -5.7455 -5.7369 -5.7349 -5.7343 -1.2263 -1.1812 0.5050 0.5078 0.5822 0.6316 6.1320 6.1340 6.5982 6.5988 7.1866 7.2057 7.3536 7.3563 7.8063 7.8308 7.9929 8.0005 9.8805 9.8838 9.9031 9.9056 10.1809 10.1822 14.3479 14.3545 14.4532 14.4539 14.6142 14.6157 16.7975 16.8092 k =-0.5000 0.4983 0.2523 ( 2728 PWs) bands (ev): -45.9831 -45.9831 -22.7326 -22.7314 -22.1057 -22.1057 -22.0524 -22.0510 -14.1836 -14.1836 -5.8263 -5.8226 -5.7525 -5.7447 -5.7419 -5.7415 -1.2002 -1.1550 0.5337 0.5361 0.6223 0.6728 6.1356 6.1378 6.5979 6.5986 7.1356 7.1508 7.4195 7.4227 7.8010 7.8210 7.9820 7.9901 9.8455 9.8488 9.8738 9.8762 10.1780 10.1791 14.3248 14.3318 14.4276 14.4283 14.6041 14.6056 16.7351 16.7454 k =-0.5000 0.4983 0.2397 ( 2732 PWs) bands (ev): -45.9832 -45.9832 -22.7321 -22.7310 -22.1058 -22.1058 -22.0509 -22.0496 -14.1864 -14.1864 -5.8480 -5.8448 -5.7596 -5.7523 -5.7487 -5.7483 -1.1739 -1.1288 0.5624 0.5645 0.6635 0.7146 6.1386 6.1409 6.5977 6.5984 7.0804 7.0923 7.4847 7.4892 7.7979 7.8127 7.9734 7.9820 9.8112 9.8144 9.8457 9.8479 10.1752 10.1761 14.3024 14.3097 14.4023 14.4030 14.5940 14.5955 16.6658 16.6752 k =-0.5000 0.4983 0.2270 ( 2728 PWs) bands (ev): -45.9832 -45.9832 -22.7316 -22.7305 -22.1059 -22.1059 -22.0493 -22.0480 -14.1892 -14.1892 -5.8696 -5.8668 -5.7666 -5.7599 -5.7554 -5.7550 -1.1475 -1.1028 0.5911 0.5929 0.7054 0.7568 6.1410 6.1435 6.5976 6.5983 7.0233 7.0320 7.5443 7.5511 7.7971 7.8062 7.9695 7.9784 9.7777 9.7809 9.8189 9.8210 10.1724 10.1732 14.2809 14.2886 14.3774 14.3782 14.5840 14.5855 16.5909 16.5996 k =-0.5000 0.4983 0.2144 ( 2728 PWs) bands (ev): -45.9833 -45.9833 -22.7311 -22.7301 -22.1061 -22.1060 -22.0478 -22.0465 -14.1919 -14.1919 -5.8910 -5.8884 -5.7736 -5.7673 -5.7618 -5.7615 -1.1212 -1.0772 0.6196 0.6211 0.7478 0.7991 6.1429 6.1456 6.5974 6.5982 6.9649 6.9710 7.5937 7.6038 7.7981 7.8014 7.9746 7.9832 9.7453 9.7484 9.7935 9.7956 10.1696 10.1703 14.2604 14.2685 14.3530 14.3539 14.5740 14.5755 16.5114 16.5198 k =-0.5000 0.4983 0.2018 ( 2736 PWs) bands (ev): -45.9833 -45.9833 -22.7307 -22.7296 -22.1062 -22.1062 -22.0463 -22.0450 -14.1946 -14.1946 -5.9118 -5.9095 -5.7804 -5.7746 -5.7679 -5.7677 -1.0952 -1.0521 0.6476 0.6490 0.7903 0.8412 6.1444 6.1473 6.5973 6.5981 6.9061 6.9098 7.6290 7.6426 7.7971 7.7984 7.9944 8.0015 9.7141 9.7171 9.7696 9.7717 10.1669 10.1675 14.2411 14.2496 14.3294 14.3303 14.5643 14.5657 16.4287 16.4367 k =-0.5000 0.4983 0.1892 ( 2740 PWs) bands (ev): -45.9834 -45.9834 -22.7303 -22.7292 -22.1063 -22.1063 -22.0448 -22.0436 -14.1972 -14.1972 -5.9321 -5.9300 -5.7871 -5.7817 -5.7739 -5.7737 -1.0696 -1.0277 0.6751 0.6763 0.8329 0.8828 6.1455 6.1486 6.5971 6.5980 6.8474 6.8490 7.6501 7.6659 7.7914 7.7948 8.0318 8.0364 9.6842 9.6872 9.7473 9.7494 10.1644 10.1648 14.2232 14.2320 14.3065 14.3075 14.5547 14.5562 16.3436 16.3516 k =-0.5000 0.4983 0.1766 ( 2740 PWs) bands (ev): -45.9834 -45.9834 -22.7298 -22.7288 -22.1064 -22.1064 -22.0434 -22.0422 -14.1997 -14.1997 -5.9517 -5.9497 -5.7936 -5.7885 -5.7796 -5.7795 -1.0445 -1.0042 0.7019 0.7029 0.8750 0.9238 6.1462 6.1496 6.5970 6.5980 6.7891 6.7893 7.6605 7.6767 7.7826 7.7863 8.0841 8.0863 9.6559 9.6586 9.7266 9.7287 10.1619 10.1622 14.2066 14.2159 14.2845 14.2857 14.5455 14.5470 16.2574 16.2653 k =-0.5000 0.4983 0.1640 ( 2736 PWs) bands (ev): -45.9834 -45.9834 -22.7294 -22.7284 -22.1065 -22.1065 -22.0420 -22.0408 -14.2021 -14.2021 -5.9704 -5.9686 -5.7997 -5.7950 -5.7850 -5.7849 -1.0203 -0.9816 0.7278 0.7287 0.9165 0.9637 6.1468 6.1503 6.5967 6.5979 6.7307 6.7324 7.6640 7.6794 7.7706 7.7738 8.1458 8.1463 9.6291 9.6317 9.7076 9.7096 10.1595 10.1597 14.1917 14.2012 14.2636 14.2649 14.5366 14.5381 16.1711 16.1789 k =-0.5000 0.4983 0.1514 ( 2736 PWs) bands (ev): -45.9835 -45.9835 -22.7289 -22.7281 -22.1066 -22.1066 -22.0406 -22.0396 -14.2044 -14.2044 -5.9882 -5.9865 -5.8056 -5.8012 -5.7901 -5.7901 -0.9969 -0.9602 0.7526 0.7534 0.9570 1.0023 6.1471 6.1508 6.5962 6.5979 6.6743 6.6774 7.6636 7.6776 7.7563 7.7588 8.2116 8.2122 9.6040 9.6063 9.6901 9.6921 10.1572 10.1574 14.1783 14.1882 14.2438 14.2452 14.5282 14.5296 16.0855 16.0933 k =-0.5000 0.4983 0.1388 ( 2738 PWs) bands (ev): -45.9835 -45.9835 -22.7286 -22.7277 -22.1067 -22.1067 -22.0394 -22.0384 -14.2066 -14.2066 -6.0049 -6.0034 -5.8111 -5.8071 -5.7950 -5.7949 -0.9746 -0.9401 0.7762 0.7769 0.9961 1.0392 6.1471 6.1511 6.5938 6.5973 6.6209 6.6266 7.6610 7.6733 7.7407 7.7426 8.2788 8.2801 9.5806 9.5827 9.6741 9.6761 10.1551 10.1552 14.1667 14.1767 14.2253 14.2268 14.5202 14.5215 16.0017 16.0095 k =-0.5000 0.4983 0.1261 ( 2750 PWs) bands (ev): -45.9835 -45.9835 -22.7282 -22.7275 -22.1068 -22.1068 -22.0382 -22.0373 -14.2086 -14.2086 -6.0204 -6.0191 -5.8162 -5.8126 -5.7994 -5.7994 -0.9535 -0.9214 0.7983 0.7989 1.0337 1.0741 6.1470 6.1512 6.5680 6.5681 6.5990 6.6016 7.6570 7.6678 7.7246 7.7261 8.3455 8.3473 9.5589 9.5608 9.6597 9.6617 10.1531 10.1532 14.1567 14.1669 14.2081 14.2098 14.5127 14.5140 15.9207 15.9283 k =-0.5000 0.4983 0.1135 ( 2752 PWs) bands (ev): -45.9836 -45.9836 -22.7279 -22.7272 -22.1069 -22.1069 -22.0371 -22.0363 -14.2105 -14.2105 -6.0348 -6.0336 -5.8209 -5.8176 -5.8036 -5.8035 -0.9338 -0.9043 0.8189 0.8194 1.0692 1.1068 6.1468 6.1511 6.5207 6.5227 6.5987 6.5994 7.6524 7.6617 7.7086 7.7097 8.4102 8.4122 9.5391 9.5406 9.6468 9.6487 10.1512 10.1513 14.1484 14.1587 14.1924 14.1943 14.5058 14.5071 15.8434 15.8508 k =-0.5000 0.4983 0.1009 ( 2738 PWs) bands (ev): -45.9836 -45.9836 -22.7275 -22.7269 -22.1069 -22.1069 -22.0360 -22.0353 -14.2122 -14.2122 -6.0478 -6.0467 -5.8252 -5.8222 -5.8073 -5.8073 -0.9155 -0.8888 0.8378 0.8382 1.1024 1.1367 6.1464 6.1509 6.4769 6.4792 6.5987 6.5990 7.6476 7.6554 7.6933 7.6940 8.4715 8.4736 9.5210 9.5224 9.6353 9.6372 10.1496 10.1496 14.1416 14.1518 14.1783 14.1805 14.4995 14.5007 15.7707 15.7778 k =-0.5000 0.4983 0.0883 ( 2738 PWs) bands (ev): -45.9836 -45.9836 -22.7272 -22.7267 -22.1070 -22.1070 -22.0351 -22.0344 -14.2137 -14.2137 -6.0594 -6.0585 -5.8289 -5.8264 -5.8106 -5.8106 -0.8989 -0.8752 0.8548 0.8552 1.1330 1.1637 6.1458 6.1504 6.4373 6.4394 6.5988 6.5989 7.6428 7.6492 7.6789 7.6794 8.5283 8.5304 9.5049 9.5059 9.6252 9.6270 10.1481 10.1481 14.1361 14.1460 14.1661 14.1685 14.4938 14.4949 15.7037 15.7103 k =-0.5000 0.4983 0.0757 ( 2736 PWs) bands (ev): -45.9836 -45.9836 -22.7270 -22.7265 -22.1070 -22.1070 -22.0343 -22.0337 -14.2150 -14.2150 -6.0697 -6.0689 -5.8322 -5.8300 -5.8136 -5.8136 -0.8840 -0.8634 0.8698 0.8702 1.1606 1.1875 6.1452 6.1498 6.4023 6.4040 6.5989 6.5989 7.6383 7.6434 7.6659 7.6661 8.5798 8.5818 9.4906 9.4914 9.6165 9.6181 10.1468 10.1468 14.1316 14.1408 14.1563 14.1585 14.4888 14.4899 15.6432 15.6492 k =-0.5000 0.4983 0.0631 ( 2736 PWs) bands (ev): -45.9836 -45.9836 -22.7267 -22.7263 -22.1071 -22.1071 -22.0336 -22.0331 -14.2162 -14.2162 -6.0784 -6.0777 -5.8350 -5.8332 -5.8161 -5.8161 -0.8709 -0.8535 0.8828 0.8830 1.1849 1.2077 6.1446 6.1490 6.3722 6.3735 6.5990 6.5990 7.6341 7.6381 7.6545 7.6546 8.6251 8.6269 9.4783 9.4789 9.6092 9.6106 10.1457 10.1457 14.1277 14.1353 14.1495 14.1508 14.4846 14.4855 15.5901 15.5955 k =-0.5000 0.4983 0.0505 ( 2736 PWs) bands (ev): -45.9837 -45.9837 -22.7266 -22.7262 -22.1071 -22.1071 -22.0330 -22.0326 -14.2171 -14.2171 -6.0856 -6.0850 -5.8373 -5.8358 -5.8182 -5.8182 -0.8597 -0.8457 0.8935 0.8937 1.2056 1.2242 6.1440 6.1479 6.3474 6.3482 6.5991 6.5991 7.6305 7.6333 7.6449 7.6453 8.6634 8.6650 9.4680 9.4684 9.6032 9.6044 10.1447 10.1447 14.1241 14.1296 14.1454 14.1456 14.4811 14.4818 15.5454 15.5500 k =-0.5000 0.4983 0.0378 ( 2732 PWs) bands (ev): -45.9837 -45.9837 -22.7264 -22.7261 -22.1071 -22.1071 -22.0324 -22.0321 -14.2179 -14.2179 -6.0912 -6.0908 -5.8390 -5.8379 -5.8198 -5.8198 -0.8505 -0.8399 0.9019 0.9021 1.2226 1.2367 6.1435 6.1468 6.3280 6.3284 6.5992 6.5992 7.6274 7.6290 7.6375 7.6381 8.6941 8.6954 9.4598 9.4601 9.5985 9.5995 10.1440 10.1440 14.1208 14.1243 14.1426 14.1432 14.4783 14.4790 15.5099 15.5134 k =-0.5000 0.4983 0.0252 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7262 -22.7261 -22.1071 -22.1071 -22.0320 -22.0318 -14.2184 -14.2184 -6.0952 -6.0949 -5.8402 -5.8395 -5.8209 -5.8209 -0.8434 -0.8363 0.9080 0.9081 1.2356 1.2450 6.1432 6.1456 6.3140 6.3142 6.5992 6.5992 7.6248 7.6255 7.6325 7.6333 8.7165 8.7174 9.4539 9.4540 9.5952 9.5959 10.1435 10.1435 14.1181 14.1201 14.1412 14.1420 14.4764 14.4768 15.4842 15.4866 k =-0.5000 0.4983 0.0126 ( 2724 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7260 -22.1071 -22.1071 -22.0318 -22.0317 -14.2187 -14.2187 -6.0976 -6.0974 -5.8409 -5.8405 -5.8216 -5.8216 -0.8384 -0.8349 0.9117 0.9117 1.2443 1.2491 6.1433 6.1446 6.3057 6.3057 6.5993 6.5993 7.6229 7.6231 7.6299 7.6305 8.7303 8.7308 9.4503 9.4503 9.5933 9.5937 10.1432 10.1432 14.1165 14.1174 14.1408 14.1413 14.4753 14.4755 15.4688 15.4700 k =-0.5000 0.4983-0.0000 ( 2728 PWs) bands (ev): -45.9837 -45.9837 -22.7261 -22.7261 -22.1072 -22.1072 -22.0317 -22.0317 -14.2189 -14.2189 -6.0983 -6.0983 -5.8410 -5.8410 -5.8219 -5.8219 -0.8356 -0.8356 0.9129 0.9129 1.2489 1.2489 6.1437 6.1437 6.3029 6.3029 6.5993 6.5993 7.6222 7.6222 7.6293 7.6293 8.7351 8.7351 9.4491 9.4491 9.5928 9.5928 10.1431 10.1431 14.1162 14.1162 14.1409 14.1409 14.4750 14.4750 15.4640 15.4640 k = 0.0000 0.0000 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7106 -22.7106 -22.0599 -22.0599 -22.0550 -22.0550 -14.2849 -14.2849 -6.7658 -6.7658 -5.8427 -5.8427 -5.4636 -5.4636 -0.7389 -0.7389 1.1655 1.1655 1.2966 1.2966 6.4470 6.4470 7.6112 7.6112 7.6295 7.6295 8.1487 8.1487 8.1981 8.1981 8.7046 8.7046 8.8116 8.8116 9.2621 9.2621 9.3866 9.3866 12.8864 12.8864 14.0458 14.0458 14.1649 14.1649 14.7439 14.7439 k =-0.0089 0.0089 0.5046 ( 2762 PWs) bands (ev): -45.9845 -45.9845 -22.7107 -22.7107 -22.0600 -22.0600 -22.0550 -22.0550 -14.2848 -14.2848 -6.7650 -6.7650 -5.8425 -5.8425 -5.4640 -5.4640 -0.7391 -0.7391 1.1654 1.1654 1.2959 1.2959 6.4466 6.4466 7.6115 7.6115 7.6292 7.6292 8.1415 8.1415 8.1949 8.1949 8.7092 8.7092 8.8176 8.8176 9.2595 9.2595 9.3851 9.3851 12.8884 12.8884 14.0459 14.0459 14.1650 14.1650 14.7470 14.7470 k =-0.0179 0.0178 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7107 -22.7107 -22.0600 -22.0600 -22.0551 -22.0551 -14.2845 -14.2845 -6.7628 -6.7628 -5.8421 -5.8421 -5.4650 -5.4650 -0.7397 -0.7397 1.1650 1.1650 1.2941 1.2941 6.4456 6.4456 7.6123 7.6123 7.6285 7.6285 8.1202 8.1202 8.1862 8.1862 8.7223 8.7223 8.8346 8.8346 9.2515 9.2515 9.3806 9.3806 12.8945 12.8945 14.0463 14.0463 14.1652 14.1652 14.7563 14.7563 k =-0.0268 0.0267 0.5046 ( 2758 PWs) bands (ev): -45.9845 -45.9845 -22.7108 -22.7108 -22.0600 -22.0600 -22.0553 -22.0553 -14.2839 -14.2839 -6.7590 -6.7590 -5.8414 -5.8414 -5.4668 -5.4668 -0.7406 -0.7406 1.1643 1.1643 1.2910 1.2910 6.4439 6.4439 7.6135 7.6135 7.6273 7.6273 8.0863 8.0863 8.1737 8.1737 8.7427 8.7427 8.8611 8.8611 9.2382 9.2382 9.3732 9.3732 12.9045 12.9045 14.0470 14.0470 14.1656 14.1656 14.7718 14.7718 k =-0.0357 0.0356 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7110 -22.7110 -22.0601 -22.0601 -22.0556 -22.0556 -14.2832 -14.2832 -6.7538 -6.7538 -5.8404 -5.8404 -5.4692 -5.4692 -0.7420 -0.7420 1.1631 1.1631 1.2869 1.2869 6.4416 6.4416 7.6149 7.6149 7.6259 7.6259 8.0422 8.0422 8.1586 8.1586 8.7691 8.7691 8.8947 8.8947 9.2199 9.2199 9.3630 9.3630 12.9183 12.9183 14.0479 14.0479 14.1661 14.1661 14.7934 14.7934 k =-0.0446 0.0445 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7112 -22.7112 -22.0602 -22.0602 -22.0559 -22.0559 -14.2822 -14.2822 -6.7471 -6.7471 -5.8391 -5.8391 -5.4723 -5.4723 -0.7439 -0.7439 1.1612 1.1612 1.2818 1.2818 6.4387 6.4387 7.6157 7.6157 7.6248 7.6248 7.9910 7.9910 8.1415 8.1415 8.8002 8.8002 8.9331 8.9331 9.1965 9.1965 9.3504 9.3504 12.9360 12.9360 14.0492 14.0492 14.1669 14.1669 14.8208 14.8208 k =-0.0536 0.0534 0.5046 ( 2754 PWs) bands (ev): -45.9845 -45.9845 -22.7114 -22.7114 -22.0603 -22.0603 -22.0563 -22.0563 -14.2809 -14.2809 -6.7389 -6.7389 -5.8376 -5.8376 -5.4760 -5.4760 -0.7462 -0.7462 1.1585 1.1585 1.2760 1.2760 6.4352 6.4352 7.6148 7.6148 7.6251 7.6252 7.9346 7.9346 8.1232 8.1232 8.8352 8.8353 8.9745 8.9745 9.1684 9.1684 9.3356 9.3356 12.9573 12.9573 14.0509 14.0509 14.1679 14.1679 14.8540 14.8540 k =-0.0625 0.0623 0.5046 ( 2750 PWs) bands (ev): -45.9844 -45.9844 -22.7116 -22.7116 -22.0604 -22.0604 -22.0568 -22.0568 -14.2795 -14.2795 -6.7293 -6.7293 -5.8358 -5.8358 -5.4802 -5.4802 -0.7491 -0.7491 1.1547 1.1547 1.2697 1.2697 6.4312 6.4312 7.6119 7.6119 7.6269 7.6269 7.8750 7.8750 8.1042 8.1042 8.8735 8.8735 9.0176 9.0176 9.1357 9.1357 9.3190 9.3190 12.9821 12.9821 14.0531 14.0531 14.1692 14.1692 14.8926 14.8926 k =-0.0714 0.0712 0.5046 ( 2758 PWs) bands (ev): -45.9844 -45.9844 -22.7120 -22.7120 -22.0606 -22.0606 -22.0574 -22.0574 -14.2779 -14.2779 -6.7183 -6.7183 -5.8337 -5.8337 -5.4850 -5.4850 -0.7526 -0.7526 1.1495 1.1495 1.2631 1.2631 6.4267 6.4267 7.6078 7.6078 7.6292 7.6292 7.8133 7.8133 8.0850 8.0850 8.9142 8.9142 9.0611 9.0611 9.0992 9.0992 9.3010 9.3010 13.0102 13.0102 14.0557 14.0557 14.1709 14.1709 14.9364 14.9364 k =-0.0804 0.0801 0.5046 ( 2750 PWs) bands (ev): -45.9844 -45.9844 -22.7123 -22.7123 -22.0608 -22.0608 -22.0579 -22.0579 -14.2761 -14.2761 -6.7059 -6.7059 -5.8314 -5.8314 -5.4902 -5.4902 -0.7568 -0.7568 1.1425 1.1425 1.2565 1.2565 6.4219 6.4219 7.6026 7.6026 7.6315 7.6315 7.7507 7.7507 8.0660 8.0660 8.9569 8.9569 9.0576 9.0577 9.1059 9.1059 9.2819 9.2819 13.0415 13.0415 14.0590 14.0590 14.1729 14.1729 14.9852 14.9852 k =-0.0893 0.0890 0.5046 ( 2750 PWs) bands (ev): -45.9844 -45.9844 -22.7127 -22.7127 -22.0611 -22.0611 -22.0586 -22.0586 -14.2741 -14.2741 -6.6921 -6.6921 -5.8288 -5.8288 -5.4958 -5.4958 -0.7617 -0.7617 1.1335 1.1335 1.2500 1.2500 6.4167 6.4167 7.5965 7.5965 7.6333 7.6333 7.6883 7.6883 8.0475 8.0475 8.9963 8.9963 9.0187 9.0187 9.1489 9.1489 9.2624 9.2624 13.0756 13.0756 14.0629 14.0629 14.1755 14.1755 15.0386 15.0386 k =-0.0982 0.0979 0.5046 ( 2752 PWs) bands (ev): -45.9843 -45.9843 -22.7131 -22.7131 -22.0614 -22.0614 -22.0592 -22.0592 -14.2718 -14.2718 -6.6769 -6.6769 -5.8260 -5.8260 -5.5018 -5.5018 -0.7674 -0.7674 1.1222 1.1222 1.2439 1.2439 6.4112 6.4112 7.5882 7.5882 7.6265 7.6265 7.6356 7.6356 8.0297 8.0297 8.9630 8.9630 9.0504 9.0504 9.1911 9.1911 9.2432 9.2432 13.1125 13.1125 14.0676 14.0676 14.1785 14.1785 15.0963 15.0963 k =-0.1071 0.1068 0.5046 ( 2752 PWs) bands (ev): -45.9843 -45.9843 -22.7136 -22.7136 -22.0618 -22.0618 -22.0599 -22.0599 -14.2695 -14.2695 -6.6605 -6.6605 -5.8229 -5.8229 -5.5081 -5.5081 -0.7740 -0.7740 1.1087 1.1087 1.2380 1.2380 6.4054 6.4054 7.5590 7.5590 7.5881 7.5881 7.6349 7.6349 8.0128 8.0128 8.9127 8.9127 9.0972 9.0972 9.2202 9.2202 9.2367 9.2367 13.1518 13.1518 14.0730 14.0730 14.1822 14.1822 15.1581 15.1581 k =-0.1161 0.1157 0.5046 ( 2756 PWs) bands (ev): -45.9843 -45.9843 -22.7141 -22.7141 -22.0623 -22.0623 -22.0605 -22.0605 -14.2669 -14.2669 -6.6427 -6.6427 -5.8196 -5.8196 -5.5145 -5.5145 -0.7814 -0.7814 1.0930 1.0930 1.2322 1.2322 6.3996 6.3996 7.5025 7.5025 7.5772 7.5772 7.6336 7.6336 7.9968 7.9968 8.8594 8.8594 9.1452 9.1452 9.2045 9.2045 9.2749 9.2749 13.1934 13.1934 14.0792 14.0792 14.1865 14.1865 15.2236 15.2236 k =-0.1250 0.1246 0.5046 ( 2752 PWs) bands (ev): -45.9842 -45.9842 -22.7146 -22.7146 -22.0630 -22.0630 -22.0610 -22.0610 -14.2642 -14.2642 -6.6237 -6.6237 -5.8161 -5.8161 -5.5211 -5.5211 -0.7898 -0.7898 1.0752 1.0752 1.2262 1.2262 6.3936 6.3936 7.4460 7.4460 7.5677 7.5677 7.6307 7.6307 7.9819 7.9819 8.8040 8.8040 9.1882 9.1882 9.1941 9.1941 9.3142 9.3142 13.2370 13.2370 14.0862 14.0862 14.1916 14.1916 15.2924 15.2924 k =-0.1339 0.1335 0.5046 ( 2748 PWs) bands (ev): -45.9842 -45.9842 -22.7152 -22.7152 -22.0639 -22.0639 -22.0613 -22.0613 -14.2613 -14.2613 -6.6036 -6.6036 -5.8124 -5.8124 -5.5278 -5.5278 -0.7992 -0.7992 1.0556 1.0556 1.2197 1.2197 6.3876 6.3876 7.3919 7.3919 7.5576 7.5576 7.6258 7.6258 7.9680 7.9680 8.7469 8.7469 9.1739 9.1739 9.2432 9.2433 9.3525 9.3525 13.2823 13.2823 14.0941 14.0941 14.1974 14.1974 15.3642 15.3642 k =-0.1429 0.1424 0.5046 ( 2748 PWs) bands (ev): -45.9841 -45.9841 -22.7158 -22.7158 -22.0648 -22.0648 -22.0617 -22.0617 -14.2583 -14.2583 -6.5822 -6.5822 -5.8084 -5.8084 -5.5344 -5.5344 -0.8095 -0.8095 1.0343 1.0343 1.2125 1.2125 6.3816 6.3816 7.3411 7.3411 7.5465 7.5465 7.6186 7.6186 7.9552 7.9552 8.6886 8.6886 9.1621 9.1621 9.2926 9.2926 9.3897 9.3897 13.3292 13.3292 14.1030 14.1030 14.2041 14.2041 15.4388 15.4388 k =-0.1518 0.1513 0.5046 ( 2748 PWs) bands (ev): -45.9841 -45.9841 -22.7164 -22.7164 -22.0659 -22.0659 -22.0620 -22.0620 -14.2551 -14.2551 -6.5598 -6.5598 -5.8043 -5.8043 -5.5410 -5.5410 -0.8209 -0.8209 1.0115 1.0115 1.2042 1.2042 6.3757 6.3757 7.2939 7.2939 7.5344 7.5344 7.6089 7.6089 7.9434 7.9434 8.6296 8.6296 9.1533 9.1533 9.3418 9.3419 9.4259 9.4259 13.3774 13.3774 14.1127 14.1127 14.2117 14.2117 15.5157 15.5157 k =-0.1607 0.1602 0.5046 ( 2746 PWs) bands (ev): -45.9841 -45.9841 -22.7170 -22.7170 -22.0670 -22.0670 -22.0623 -22.0623 -14.2519 -14.2519 -6.5363 -6.5363 -5.8000 -5.8000 -5.5474 -5.5474 -0.8334 -0.8334 0.9875 0.9875 1.1945 1.1945 6.3698 6.3698 7.2507 7.2507 7.5210 7.5210 7.5965 7.5965 7.9326 7.9326 8.5705 8.5705 9.1479 9.1479 9.3908 9.3908 9.4611 9.4611 13.4268 13.4268 14.1233 14.1233 14.2202 14.2202 15.5947 15.5947 k =-0.1696 0.1691 0.5046 ( 2742 PWs) bands (ev): -45.9840 -45.9840 -22.7177 -22.7177 -22.0681 -22.0681 -22.0626 -22.0626 -14.2485 -14.2485 -6.5118 -6.5118 -5.7955 -5.7955 -5.5537 -5.5537 -0.8469 -0.8469 0.9622 0.9622 1.1833 1.1833 6.3641 6.3641 7.2120 7.2120 7.5063 7.5063 7.5812 7.5812 7.9227 7.9227 8.5119 8.5119 9.1462 9.1462 9.4391 9.4391 9.4956 9.4956 13.4769 13.4769 14.1349 14.1349 14.2297 14.2297 15.6754 15.6754 k =-0.1786 0.1780 0.5046 ( 2750 PWs) bands (ev): -45.9840 -45.9840 -22.7184 -22.7184 -22.0694 -22.0694 -22.0630 -22.0630 -14.2450 -14.2450 -6.4864 -6.4864 -5.7908 -5.7908 -5.5597 -5.5597 -0.8614 -0.8614 0.9359 0.9359 1.1704 1.1704 6.3585 6.3585 7.1779 7.1779 7.4899 7.4899 7.5630 7.5630 7.9137 7.9137 8.4544 8.4544 9.1484 9.1484 9.4862 9.4862 9.5296 9.5296 13.5278 13.5278 14.1473 14.1473 14.2402 14.2402 15.7574 15.7574 k =-0.1875 0.1869 0.5046 ( 2754 PWs) bands (ev): -45.9839 -45.9839 -22.7191 -22.7191 -22.0707 -22.0707 -22.0633 -22.0633 -14.2414 -14.2414 -6.4601 -6.4601 -5.7861 -5.7861 -5.5653 -5.5653 -0.8769 -0.8769 0.9087 0.9087 1.1555 1.1555 6.3530 6.3530 7.1487 7.1487 7.4716 7.4716 7.5419 7.5419 7.9053 7.9053 8.3985 8.3985 9.1547 9.1547 9.5314 9.5314 9.5640 9.5641 13.5791 13.5791 14.1606 14.1606 14.2517 14.2517 15.8406 15.8406 k =-0.1964 0.1958 0.5046 ( 2754 PWs) bands (ev): -45.9839 -45.9839 -22.7198 -22.7198 -22.0720 -22.0720 -22.0636 -22.0636 -14.2378 -14.2378 -6.4329 -6.4329 -5.7811 -5.7811 -5.5706 -5.5706 -0.8935 -0.8935 0.8808 0.8808 1.1385 1.1385 6.3477 6.3477 7.1247 7.1247 7.4513 7.4513 7.5179 7.5179 7.8976 7.8976 8.3451 8.3451 9.1650 9.1650 9.5729 9.5729 9.6005 9.6005 13.6306 13.6306 14.1748 14.1748 14.2643 14.2643 15.9244 15.9244 k =-0.2054 0.2047 0.5046 ( 2754 PWs) bands (ev): -45.9838 -45.9838 -22.7206 -22.7206 -22.0733 -22.0733 -22.0640 -22.0640 -14.2341 -14.2341 -6.4051 -6.4051 -5.7761 -5.7761 -5.5755 -5.5755 -0.9109 -0.9109 0.8522 0.8522 1.1194 1.1194 6.3425 6.3425 7.1060 7.1060 7.4287 7.4287 7.4912 7.4912 7.8902 7.8902 8.2947 8.2947 9.1794 9.1794 9.6091 9.6091 9.6405 9.6405 13.6823 13.6823 14.1898 14.1898 14.2779 14.2779 16.0086 16.0086 k =-0.2143 0.2136 0.5046 ( 2746 PWs) bands (ev): -45.9838 -45.9838 -22.7213 -22.7213 -22.0746 -22.0746 -22.0643 -22.0643 -14.2303 -14.2303 -6.3765 -6.3765 -5.7710 -5.7710 -5.5799 -5.5799 -0.9293 -0.9293 0.8230 0.8230 1.0980 1.0980 6.3374 6.3374 7.0925 7.0925 7.4035 7.4035 7.4621 7.4621 7.8832 7.8832 8.2480 8.2480 9.1977 9.1977 9.6414 9.6414 9.6826 9.6827 13.7338 13.7338 14.2055 14.2055 14.2925 14.2925 16.0929 16.0929 k =-0.2232 0.2225 0.5046 ( 2746 PWs) bands (ev): -45.9837 -45.9837 -22.7221 -22.7221 -22.0759 -22.0759 -22.0646 -22.0646 -14.2265 -14.2265 -6.3474 -6.3474 -5.7658 -5.7658 -5.5838 -5.5838 -0.9486 -0.9486 0.7935 0.7935 1.0743 1.0743 6.3323 6.3323 7.0844 7.0844 7.3756 7.3756 7.4307 7.4307 7.8763 7.8763 8.2057 8.2057 9.2197 9.2197 9.6715 9.6716 9.7251 9.7251 13.7851 13.7851 14.2220 14.2220 14.3080 14.3080 16.1769 16.1769 k =-0.2321 0.2314 0.5046 ( 2746 PWs) bands (ev): -45.9836 -45.9836 -22.7228 -22.7228 -22.0773 -22.0773 -22.0649 -22.0649 -14.2226 -14.2226 -6.3177 -6.3177 -5.7605 -5.7605 -5.5871 -5.5871 -0.9687 -0.9687 0.7636 0.7636 1.0484 1.0484 6.3273 6.3273 7.0816 7.0816 7.3449 7.3449 7.3973 7.3973 7.8694 7.8694 8.1683 8.1683 9.2451 9.2451 9.7005 9.7005 9.7669 9.7669 13.8360 13.8360 14.2392 14.2392 14.3245 14.3245 16.2601 16.2601 k =-0.2411 0.2402 0.5046 ( 2742 PWs) bands (ev): -45.9836 -45.9836 -22.7236 -22.7236 -22.0787 -22.0787 -22.0652 -22.0652 -14.2188 -14.2188 -6.2876 -6.2876 -5.7551 -5.7551 -5.5899 -5.5899 -0.9895 -0.9895 0.7336 0.7336 1.0203 1.0203 6.3221 6.3221 7.0838 7.0838 7.3115 7.3115 7.3622 7.3622 7.8624 7.8624 8.1360 8.1360 9.2738 9.2738 9.7286 9.7287 9.8076 9.8076 13.8863 13.8863 14.2569 14.2569 14.3419 14.3419 16.3423 16.3423 k =-0.2500 0.2491 0.5046 ( 2736 PWs) bands (ev): -45.9835 -45.9835 -22.7243 -22.7243 -22.0800 -22.0800 -22.0655 -22.0655 -14.2149 -14.2149 -6.2571 -6.2571 -5.7498 -5.7498 -5.5921 -5.5921 -1.0111 -1.0111 0.7034 0.7034 0.9901 0.9901 6.3169 6.3169 7.0909 7.0909 7.2755 7.2755 7.3258 7.3258 7.8555 7.8555 8.1089 8.1089 9.3054 9.3054 9.7562 9.7562 9.8471 9.8471 13.9360 13.9360 14.2753 14.2753 14.3602 14.3602 16.4231 16.4231 k =-0.2589 0.2580 0.5046 ( 2740 PWs) bands (ev): -45.9835 -45.9835 -22.7251 -22.7251 -22.0814 -22.0814 -22.0659 -22.0659 -14.2111 -14.2111 -6.2264 -6.2264 -5.7444 -5.7444 -5.5937 -5.5937 -1.0332 -1.0332 0.6733 0.6733 0.9580 0.9580 6.3113 6.3113 7.1022 7.1022 7.2377 7.2378 7.2883 7.2883 7.8487 7.8487 8.0870 8.0870 9.3397 9.3397 9.7832 9.7832 9.8852 9.8852 13.9848 13.9848 14.2941 14.2941 14.3792 14.3792 16.5018 16.5018 k =-0.2679 0.2669 0.5046 ( 2742 PWs) bands (ev): -45.9834 -45.9834 -22.7259 -22.7259 -22.0828 -22.0828 -22.0662 -22.0662 -14.2073 -14.2073 -6.1955 -6.1955 -5.7390 -5.7390 -5.5948 -5.5948 -1.0559 -1.0559 0.6432 0.6432 0.9240 0.9240 6.3054 6.3054 7.1164 7.1164 7.1996 7.1996 7.2500 7.2500 7.8422 7.8422 8.0698 8.0698 9.3763 9.3763 9.8099 9.8099 9.9218 9.9218 14.0327 14.0327 14.3133 14.3133 14.3988 14.3988 16.5782 16.5782 k =-0.2768 0.2758 0.5046 ( 2738 PWs) bands (ev): -45.9834 -45.9834 -22.7267 -22.7267 -22.0841 -22.0841 -22.0665 -22.0665 -14.2035 -14.2035 -6.1645 -6.1645 -5.7336 -5.7336 -5.5952 -5.5952 -1.0790 -1.0790 0.6134 0.6134 0.8885 0.8885 6.2990 6.2990 7.1250 7.1250 7.1697 7.1697 7.2113 7.2113 7.8363 7.8363 8.0568 8.0568 9.4149 9.4149 9.8363 9.8363 9.9569 9.9569 14.0796 14.0796 14.3329 14.3329 14.4191 14.4191 16.6516 16.6516 k =-0.2857 0.2847 0.5046 ( 2734 PWs) bands (ev): -45.9833 -45.9833 -22.7275 -22.7275 -22.0855 -22.0855 -22.0668 -22.0668 -14.1997 -14.1997 -6.1335 -6.1335 -5.7282 -5.7282 -5.5950 -5.5950 -1.1025 -1.1025 0.5838 0.5838 0.8515 0.8515 6.2919 6.2919 7.1009 7.1009 7.1722 7.1722 7.1757 7.1757 7.8314 7.8314 8.0474 8.0474 9.4552 9.4552 9.8625 9.8625 9.9904 9.9904 14.1254 14.1254 14.3527 14.3527 14.4398 14.4398 16.7214 16.7214 k =-0.2946 0.2936 0.5046 ( 2738 PWs) bands (ev): -45.9833 -45.9833 -22.7282 -22.7282 -22.0868 -22.0868 -22.0671 -22.0671 -14.1960 -14.1960 -6.1026 -6.1026 -5.7229 -5.7229 -5.5943 -5.5943 -1.1263 -1.1263 0.5547 0.5547 0.8134 0.8134 6.2841 6.2841 7.0613 7.0613 7.1334 7.1334 7.1998 7.1998 7.8276 7.8276 8.0410 8.0410 9.4969 9.4969 9.8885 9.8885 10.0223 10.0223 14.1700 14.1700 14.3728 14.3728 14.4609 14.4609 16.7871 16.7871 k =-0.3036 0.3025 0.5046 ( 2738 PWs) bands (ev): -45.9832 -45.9832 -22.7290 -22.7290 -22.0881 -22.0881 -22.0674 -22.0674 -14.1924 -14.1924 -6.0719 -6.0719 -5.7176 -5.7176 -5.5929 -5.5929 -1.1502 -1.1502 0.5260 0.5260 0.7745 0.7745 6.2754 6.2754 7.0198 7.0198 7.0947 7.0947 7.2291 7.2291 7.8254 7.8254 8.0370 8.0370 9.5397 9.5397 9.9143 9.9143 10.0526 10.0526 14.2133 14.2133 14.3929 14.3929 14.4822 14.4822 16.8479 16.8479 k =-0.3125 0.3114 0.5046 ( 2730 PWs) bands (ev): -45.9832 -45.9832 -22.7297 -22.7297 -22.0893 -22.0893 -22.0677 -22.0677 -14.1889 -14.1889 -6.0416 -6.0416 -5.7125 -5.7125 -5.5911 -5.5911 -1.1743 -1.1743 0.4980 0.4980 0.7349 0.7349 6.2655 6.2655 6.9787 6.9787 7.0566 7.0566 7.2612 7.2612 7.8248 7.8248 8.0351 8.0351 9.5833 9.5833 9.9401 9.9401 10.0813 10.0813 14.2553 14.2553 14.4130 14.4130 14.5037 14.5037 16.9030 16.9030 k =-0.3214 0.3203 0.5046 ( 2730 PWs) bands (ev): -45.9831 -45.9831 -22.7304 -22.7304 -22.0906 -22.0906 -22.0680 -22.0680 -14.1854 -14.1854 -6.0117 -6.0117 -5.7074 -5.7074 -5.5888 -5.5888 -1.1983 -1.1983 0.4706 0.4706 0.6949 0.6949 6.2545 6.2545 6.9389 6.9389 7.0191 7.0191 7.2951 7.2951 7.8262 7.8262 8.0347 8.0347 9.6274 9.6274 9.9658 9.9658 10.1083 10.1083 14.2958 14.2958 14.4330 14.4330 14.5252 14.5252 16.9518 16.9518 k =-0.3304 0.3292 0.5046 ( 2734 PWs) bands (ev): -45.9831 -45.9831 -22.7311 -22.7311 -22.0918 -22.0918 -22.0683 -22.0683 -14.1821 -14.1821 -5.9823 -5.9823 -5.7024 -5.7024 -5.5860 -5.5860 -1.2223 -1.2223 0.4439 0.4439 0.6549 0.6549 6.2420 6.2420 6.9010 6.9010 6.9825 6.9825 7.3298 7.3298 7.8296 7.8296 8.0356 8.0356 9.6718 9.6718 9.9915 9.9915 10.1338 10.1338 14.3349 14.3349 14.4529 14.4529 14.5466 14.5466 16.9934 16.9934 k =-0.3393 0.3381 0.5046 ( 2734 PWs) bands (ev): -45.9830 -45.9830 -22.7318 -22.7318 -22.0930 -22.0930 -22.0686 -22.0686 -14.1788 -14.1788 -5.9535 -5.9535 -5.6976 -5.6976 -5.5828 -5.5828 -1.2460 -1.2460 0.4181 0.4181 0.6151 0.6151 6.2282 6.2282 6.8656 6.8656 6.9469 6.9469 7.3648 7.3648 7.8352 7.8352 8.0375 8.0375 9.7161 9.7161 10.0170 10.0170 10.1577 10.1577 14.3724 14.3724 14.4725 14.4725 14.5678 14.5678 17.0273 17.0273 k =-0.3482 0.3470 0.5046 ( 2734 PWs) bands (ev): -45.9830 -45.9830 -22.7324 -22.7324 -22.0941 -22.0941 -22.0688 -22.0688 -14.1757 -14.1757 -5.9255 -5.9255 -5.6929 -5.6929 -5.5792 -5.5792 -1.2693 -1.2693 0.3932 0.3932 0.5758 0.5758 6.2130 6.2130 6.8328 6.8328 6.9124 6.9124 7.3992 7.3992 7.8432 7.8432 8.0401 8.0401 9.7600 9.7600 10.0425 10.0425 10.1800 10.1800 14.4083 14.4083 14.4918 14.4918 14.5886 14.5886 17.0532 17.0532 k =-0.3571 0.3559 0.5046 ( 2738 PWs) bands (ev): -45.9829 -45.9829 -22.7331 -22.7331 -22.0952 -22.0952 -22.0691 -22.0691 -14.1727 -14.1727 -5.8984 -5.8984 -5.6884 -5.6884 -5.5753 -5.5753 -1.2923 -1.2923 0.3692 0.3692 0.5373 0.5373 6.1964 6.1964 6.8030 6.8030 6.8793 6.8793 7.4322 7.4322 7.8538 7.8538 8.0434 8.0434 9.8034 9.8034 10.0679 10.0679 10.2008 10.2008 14.4426 14.4426 14.5106 14.5106 14.6089 14.6089 17.0709 17.0709 k =-0.3661 0.3648 0.5046 ( 2744 PWs) bands (ev): -45.9829 -45.9829 -22.7337 -22.7337 -22.0963 -22.0963 -22.0693 -22.0693 -14.1699 -14.1699 -5.8722 -5.8722 -5.6840 -5.6840 -5.5712 -5.5712 -1.3146 -1.3146 0.3463 0.3463 0.4997 0.4997 6.1786 6.1786 6.7763 6.7763 6.8477 6.8477 7.4633 7.4633 7.8670 7.8670 8.0471 8.0471 9.8458 9.8458 10.0930 10.0930 10.2201 10.2201 14.4752 14.4752 14.5289 14.5289 14.6287 14.6287 17.0807 17.0807 k =-0.3750 0.3737 0.5046 ( 2740 PWs) bands (ev): -45.9829 -45.9829 -22.7343 -22.7343 -22.0973 -22.0973 -22.0696 -22.0696 -14.1671 -14.1671 -5.8472 -5.8472 -5.6798 -5.6798 -5.5669 -5.5669 -1.3363 -1.3363 0.3245 0.3245 0.4635 0.4635 6.1597 6.1597 6.7526 6.7526 6.8175 6.8175 7.4919 7.4919 7.8828 7.8828 8.0511 8.0511 9.8871 9.8871 10.1179 10.1179 10.2380 10.2380 14.5060 14.5060 14.5466 14.5466 14.6477 14.6477 17.0834 17.0834 k =-0.3839 0.3826 0.5046 ( 2744 PWs) bands (ev): -45.9828 -45.9828 -22.7349 -22.7349 -22.0982 -22.0982 -22.0698 -22.0698 -14.1646 -14.1646 -5.8233 -5.8233 -5.6758 -5.6758 -5.5625 -5.5625 -1.3572 -1.3572 0.3039 0.3039 0.4288 0.4288 6.1402 6.1402 6.7318 6.7318 6.7891 6.7891 7.5176 7.5176 7.9011 7.9011 8.0553 8.0553 9.9269 9.9269 10.1424 10.1424 10.2544 10.2544 14.5349 14.5349 14.5636 14.5636 14.6659 14.6659 17.0799 17.0799 k =-0.3929 0.3915 0.5046 ( 2736 PWs) bands (ev): -45.9828 -45.9828 -22.7353 -22.7353 -22.0991 -22.0991 -22.0700 -22.0700 -14.1622 -14.1622 -5.8008 -5.8008 -5.6720 -5.6720 -5.5580 -5.5580 -1.3771 -1.3771 0.2844 0.2844 0.3958 0.3958 6.1203 6.1203 6.7137 6.7137 6.7624 6.7624 7.5401 7.5401 7.9214 7.9214 8.0595 8.0595 9.9650 9.9650 10.1664 10.1664 10.2695 10.2695 14.5617 14.5617 14.5802 14.5802 14.6832 14.6832 17.0714 17.0714 k =-0.4018 0.4004 0.5046 ( 2740 PWs) bands (ev): -45.9828 -45.9828 -22.7358 -22.7358 -22.0999 -22.0999 -22.0702 -22.0702 -14.1600 -14.1600 -5.7796 -5.7796 -5.6685 -5.6685 -5.5535 -5.5535 -1.3961 -1.3961 0.2662 0.2662 0.3648 0.3648 6.1004 6.1004 6.6983 6.6983 6.7376 6.7376 7.5596 7.5596 7.9433 7.9433 8.0638 8.0638 10.0012 10.0012 10.1897 10.1897 10.2832 10.2832 14.5856 14.5856 14.5967 14.5967 14.6995 14.6995 17.0589 17.0589 k =-0.4107 0.4093 0.5046 ( 2736 PWs) bands (ev): -45.9827 -45.9827 -22.7362 -22.7362 -22.1006 -22.1006 -22.0703 -22.0703 -14.1579 -14.1579 -5.7600 -5.7600 -5.6651 -5.6651 -5.5492 -5.5492 -1.4138 -1.4138 0.2493 0.2493 0.3360 0.3360 6.0808 6.0808 6.6851 6.6851 6.7146 6.7146 7.5762 7.5762 7.9661 7.9661 8.0679 8.0679 10.0352 10.0352 10.2120 10.2120 10.2956 10.2956 14.6047 14.6047 14.6151 14.6151 14.7146 14.7146 17.0439 17.0439 k =-0.4196 0.4182 0.5046 ( 2736 PWs) bands (ev): -45.9827 -45.9827 -22.7366 -22.7366 -22.1013 -22.1013 -22.0705 -22.0705 -14.1560 -14.1560 -5.7420 -5.7420 -5.6620 -5.6620 -5.5450 -5.5450 -1.4303 -1.4303 0.2337 0.2337 0.3096 0.3096 6.0620 6.0620 6.6739 6.6739 6.6937 6.6937 7.5902 7.5902 7.9891 7.9891 8.0719 8.0719 10.0668 10.0668 10.2333 10.2333 10.3067 10.3067 14.6194 14.6194 14.6350 14.6350 14.7286 14.7286 17.0272 17.0272 k =-0.4286 0.4271 0.5046 ( 2740 PWs) bands (ev): -45.9827 -45.9827 -22.7370 -22.7370 -22.1020 -22.1020 -22.0706 -22.0706 -14.1543 -14.1543 -5.7258 -5.7258 -5.6591 -5.6591 -5.5410 -5.5410 -1.4453 -1.4453 0.2193 0.2193 0.2857 0.2857 6.0443 6.0443 6.6646 6.6646 6.6748 6.6748 7.6019 7.6019 8.0116 8.0116 8.0757 8.0757 10.0957 10.0957 10.2532 10.2532 10.3166 10.3166 14.6318 14.6318 14.6539 14.6539 14.7413 14.7413 17.0100 17.0100 k =-0.4375 0.4360 0.5046 ( 2744 PWs) bands (ev): -45.9827 -45.9827 -22.7374 -22.7374 -22.1026 -22.1026 -22.0708 -22.0708 -14.1528 -14.1528 -5.7113 -5.7113 -5.6564 -5.6564 -5.5373 -5.5373 -1.4589 -1.4589 0.2064 0.2064 0.2646 0.2646 6.0279 6.0279 6.6567 6.6567 6.6582 6.6582 7.6115 7.6115 8.0329 8.0329 8.0791 8.0791 10.1217 10.1217 10.2715 10.2715 10.3253 10.3253 14.6427 14.6427 14.6709 14.6709 14.7527 14.7527 16.9929 16.9929 k =-0.4464 0.4449 0.5046 ( 2756 PWs) bands (ev): -45.9827 -45.9827 -22.7377 -22.7377 -22.1031 -22.1031 -22.0709 -22.0709 -14.1515 -14.1515 -5.6989 -5.6989 -5.6538 -5.6538 -5.5340 -5.5340 -1.4709 -1.4709 0.1948 0.1948 0.2463 0.2463 6.0132 6.0132 6.6433 6.6433 6.6506 6.6506 7.6194 7.6194 8.0525 8.0525 8.0823 8.0823 10.1447 10.1447 10.2880 10.2880 10.3328 10.3328 14.6522 14.6522 14.6859 14.6859 14.7627 14.7627 16.9769 16.9769 k =-0.4554 0.4538 0.5046 ( 2772 PWs) bands (ev): -45.9826 -45.9826 -22.7380 -22.7380 -22.1036 -22.1036 -22.0711 -22.0711 -14.1504 -14.1504 -5.6884 -5.6884 -5.6514 -5.6514 -5.5310 -5.5310 -1.4812 -1.4812 0.1846 0.1846 0.2310 0.2310 6.0004 6.0004 6.6308 6.6308 6.6454 6.6454 7.6257 7.6257 8.0697 8.0697 8.0850 8.0850 10.1644 10.1644 10.3023 10.3023 10.3392 10.3392 14.6603 14.6603 14.6987 14.6987 14.7712 14.7712 16.9623 16.9623 k =-0.4643 0.4627 0.5046 ( 2772 PWs) bands (ev): -45.9826 -45.9826 -22.7382 -22.7382 -22.1039 -22.1039 -22.0711 -22.0711 -14.1495 -14.1495 -5.6801 -5.6801 -5.6492 -5.6492 -5.5286 -5.5286 -1.4897 -1.4897 0.1759 0.1759 0.2186 0.2186 5.9896 5.9896 6.6206 6.6206 6.6414 6.6414 7.6307 7.6307 8.0838 8.0838 8.0880 8.0880 10.1808 10.1808 10.3143 10.3143 10.3445 10.3445 14.6670 14.6670 14.7092 14.7092 14.7782 14.7782 16.9498 16.9498 k =-0.4732 0.4716 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7384 -22.7384 -22.1042 -22.1042 -22.0713 -22.0713 -14.1488 -14.1488 -5.6738 -5.6738 -5.6472 -5.6472 -5.5266 -5.5266 -1.4965 -1.4965 0.1689 0.1689 0.2092 0.2092 5.9811 5.9811 6.6126 6.6126 6.6384 6.6384 7.6344 7.6344 8.0886 8.0886 8.0968 8.0968 10.1936 10.1936 10.3238 10.3238 10.3488 10.3488 14.6723 14.6723 14.7175 14.7175 14.7838 14.7838 16.9397 16.9397 k =-0.4821 0.4805 0.5046 ( 2780 PWs) bands (ev): -45.9826 -45.9826 -22.7385 -22.7385 -22.1044 -22.1044 -22.0713 -22.0713 -14.1483 -14.1483 -5.6696 -5.6696 -5.6455 -5.6455 -5.5251 -5.5251 -1.5013 -1.5013 0.1637 0.1637 0.2026 0.2026 5.9749 5.9749 6.6069 6.6069 6.6363 6.6363 7.6370 7.6370 8.0900 8.0900 8.1052 8.1052 10.2029 10.2029 10.3306 10.3306 10.3519 10.3519 14.6760 14.6760 14.7235 14.7235 14.7877 14.7877 16.9322 16.9322 k =-0.4911 0.4894 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1045 -22.1045 -22.0714 -22.0714 -14.1479 -14.1479 -5.6671 -5.6671 -5.6443 -5.6443 -5.5243 -5.5243 -1.5042 -1.5042 0.1605 0.1605 0.1987 0.1987 5.9712 5.9712 6.6034 6.6034 6.6351 6.6351 7.6386 7.6386 8.0909 8.0909 8.1103 8.1103 10.2085 10.2085 10.3347 10.3347 10.3538 10.3538 14.6783 14.6783 14.7270 14.7270 14.7901 14.7901 16.9277 16.9277 k =-0.5000 0.4983 0.5046 ( 2784 PWs) bands (ev): -45.9826 -45.9826 -22.7386 -22.7386 -22.1046 -22.1046 -22.0714 -22.0714 -14.1478 -14.1478 -5.6663 -5.6663 -5.6439 -5.6439 -5.5240 -5.5240 -1.5052 -1.5052 0.1594 0.1594 0.1974 0.1974 5.9700 5.9700 6.6023 6.6023 6.6347 6.6347 7.6391 7.6391 8.0911 8.0911 8.1121 8.1121 10.2104 10.2104 10.3360 10.3360 10.3545 10.3545 14.6790 14.6790 14.7282 14.7282 14.7909 14.7909 16.9262 16.9262 Writing output data file BaTiO3.save init_run : 3.55s CPU 13.79s WALL ( 1 calls) electrons : 773.04s CPU 781.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 773.02s CPU 781.44s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.60s WALL ( 1 calls) newd : 0.42s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 476 calls) cegterg : 738.77s CPU 744.23s WALL ( 1295 calls) Called by sum_band: Called by *egterg: h_psi : 276.25s CPU 288.18s WALL ( 22048 calls) s_psi : 31.65s CPU 32.17s WALL ( 22048 calls) g_psi : 0.65s CPU 0.71s WALL ( 20277 calls) cdiaghg : 319.73s CPU 314.54s WALL ( 20753 calls) cegterg:over : 64.84s CPU 61.33s WALL ( 20277 calls) cegterg:upda : 7.97s CPU 12.31s WALL ( 20277 calls) cegterg:last : 8.32s CPU 9.57s WALL ( 3220 calls) Called by h_psi: h_psi:vloc : 213.80s CPU 224.08s WALL ( 22048 calls) h_psi:vnl : 62.17s CPU 63.42s WALL ( 22048 calls) add_vuspsi : 18.70s CPU 23.41s WALL ( 22048 calls) General routines calbec : 43.41s CPU 39.87s WALL ( 22048 calls) fft : 0.31s CPU 1.23s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 198.34s CPU 205.48s WALL ( 1791124 calls) interpolate : 0.04s CPU 0.12s WALL ( 4 calls) davcio : 0.06s CPU 1.18s WALL ( 952 calls) Parallel routines fft_scatter : 141.52s CPU 146.02s WALL ( 1791147 calls) PWSCF : 13m54.47s CPU 15m20.20s WALL This run was terminated on: 16:21:35 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=