Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:38: 6 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: ./OsCl4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 43 12 1239 901 144 Max 54 44 14 1241 918 147 Sum 2547 2071 603 59517 43757 6927 bravais-lattice index = 14 lattice parameter (alat) = 10.8635 a.u. unit-cell volume = 792.9966 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 270.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.863513 celldm(2)= 1.000000 celldm(3)= 0.619268 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.048817 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.048817 0.998808 0.000000 ) a(3) = ( 0.000000 0.000000 0.619268 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.048876 -0.000000 ) b(2) = ( 0.000000 1.001194 -0.000000 ) b(3) = ( 0.000000 0.000000 1.614810 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Os read from file: /home/autes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 Cl 7.00 35.45300 Cl( 1.00) Os 16.00 190.23000 Os( 1.00) 4 Sym. Ops., with 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 = 2 180 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0125455 0.0131736 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0250909 0.0263472 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0376364 0.0395208 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0501818 0.0526944 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0627273 0.0658680 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0752727 0.0790416 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0878182 0.0922152 -0.0000000), wk = 0.0024876 k( 9) = ( 0.1003637 0.1053888 -0.0000000), wk = 0.0024876 k( 10) = ( 0.1129091 0.1185624 -0.0000000), wk = 0.0024876 k( 11) = ( 0.1254546 0.1317360 -0.0000000), wk = 0.0024876 k( 12) = ( 0.1380000 0.1449096 -0.0000000), wk = 0.0024876 k( 13) = ( 0.1505455 0.1580832 -0.0000000), wk = 0.0024876 k( 14) = ( 0.1630910 0.1712568 -0.0000000), wk = 0.0024876 k( 15) = ( 0.1756364 0.1844304 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1881819 0.1976040 -0.0000000), wk = 0.0024876 k( 17) = ( 0.2007273 0.2107776 -0.0000000), wk = 0.0024876 k( 18) = ( 0.2132728 0.2239512 -0.0000000), wk = 0.0024876 k( 19) = ( 0.2258182 0.2371248 -0.0000000), wk = 0.0024876 k( 20) = ( 0.2383637 0.2502984 -0.0000000), wk = 0.0024876 k( 21) = ( 0.2509092 0.2634720 -0.0000000), wk = 0.0024876 k( 22) = ( 0.2634546 0.2766456 -0.0000000), wk = 0.0024876 k( 23) = ( 0.2760001 0.2898192 -0.0000000), wk = 0.0024876 k( 24) = ( 0.2885455 0.3029928 -0.0000000), wk = 0.0024876 k( 25) = ( 0.3010910 0.3161664 -0.0000000), wk = 0.0024876 k( 26) = ( 0.3136365 0.3293400 -0.0000000), wk = 0.0024876 k( 27) = ( 0.3261819 0.3425136 -0.0000000), wk = 0.0024876 k( 28) = ( 0.3387274 0.3556872 -0.0000000), wk = 0.0024876 k( 29) = ( 0.3512728 0.3688608 -0.0000000), wk = 0.0024876 k( 30) = ( 0.3638183 0.3820344 -0.0000000), wk = 0.0024876 k( 31) = ( 0.3763637 0.3952080 -0.0000000), wk = 0.0024876 k( 32) = ( 0.3889092 0.4083816 -0.0000000), wk = 0.0024876 k( 33) = ( 0.4014547 0.4215552 -0.0000000), wk = 0.0024876 k( 34) = ( 0.4140001 0.4347288 -0.0000000), wk = 0.0024876 k( 35) = ( 0.4265456 0.4479024 -0.0000000), wk = 0.0024876 k( 36) = ( 0.4390910 0.4610760 -0.0000000), wk = 0.0024876 k( 37) = ( 0.4516365 0.4742497 -0.0000000), wk = 0.0024876 k( 38) = ( 0.4641820 0.4874232 -0.0000000), wk = 0.0024876 k( 39) = ( 0.4767274 0.5005968 -0.0000000), wk = 0.0024876 k( 40) = ( 0.4767274 0.5005968 -0.0000000), wk = 0.0024876 k( 41) = ( 0.4590708 0.5005969 -0.0000000), wk = 0.0024876 k( 42) = ( 0.4414143 0.5005969 -0.0000000), wk = 0.0024876 k( 43) = ( 0.4237577 0.5005969 -0.0000000), wk = 0.0024876 k( 44) = ( 0.4061011 0.5005968 -0.0000000), wk = 0.0024876 k( 45) = ( 0.3884446 0.5005969 -0.0000000), wk = 0.0024876 k( 46) = ( 0.3707880 0.5005969 -0.0000000), wk = 0.0024876 k( 47) = ( 0.3531314 0.5005969 -0.0000000), wk = 0.0024876 k( 48) = ( 0.3354748 0.5005968 -0.0000000), wk = 0.0024876 k( 49) = ( 0.3178183 0.5005968 -0.0000000), wk = 0.0024876 k( 50) = ( 0.3001617 0.5005969 -0.0000000), wk = 0.0024876 k( 51) = ( 0.2825051 0.5005969 -0.0000000), wk = 0.0024876 k( 52) = ( 0.2648486 0.5005968 -0.0000000), wk = 0.0024876 k( 53) = ( 0.2471920 0.5005968 -0.0000000), wk = 0.0024876 k( 54) = ( 0.2295354 0.5005969 -0.0000000), wk = 0.0024876 k( 55) = ( 0.2118789 0.5005969 -0.0000000), wk = 0.0024876 k( 56) = ( 0.1942223 0.5005969 -0.0000000), wk = 0.0024876 k( 57) = ( 0.1765657 0.5005968 -0.0000000), wk = 0.0024876 k( 58) = ( 0.1589091 0.5005969 -0.0000000), wk = 0.0024876 k( 59) = ( 0.1412526 0.5005969 -0.0000000), wk = 0.0024876 k( 60) = ( 0.1235960 0.5005969 -0.0000000), wk = 0.0024876 k( 61) = ( 0.1059394 0.5005968 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0882828 0.5005968 -0.0000000), wk = 0.0024876 k( 63) = ( 0.0706263 0.5005969 -0.0000000), wk = 0.0024876 k( 64) = ( 0.0529697 0.5005969 -0.0000000), wk = 0.0024876 k( 65) = ( 0.0353131 0.5005968 -0.0000000), wk = 0.0024876 k( 66) = ( 0.0176566 0.5005968 -0.0000000), wk = 0.0024876 k( 67) = ( 0.0000000 0.5005969 -0.0000000), wk = 0.0024876 k( 68) = ( 0.0000000 0.5005969 -0.0000000), wk = 0.0024876 k( 69) = ( 0.0000000 0.5005969 0.0179423), wk = 0.0024876 k( 70) = ( 0.0000000 0.5005969 0.0358847), wk = 0.0024876 k( 71) = ( 0.0000000 0.5005969 0.0538270), wk = 0.0024876 k( 72) = ( 0.0000000 0.5005969 0.0717693), wk = 0.0024876 k( 73) = ( 0.0000000 0.5005969 0.0897117), wk = 0.0024876 k( 74) = ( 0.0000000 0.5005969 0.1076540), wk = 0.0024876 k( 75) = ( 0.0000000 0.5005969 0.1255963), wk = 0.0024876 k( 76) = ( 0.0000000 0.5005969 0.1435387), wk = 0.0024876 k( 77) = ( 0.0000000 0.5005969 0.1614810), wk = 0.0024876 k( 78) = ( 0.0000000 0.5005969 0.1794233), wk = 0.0024876 k( 79) = ( 0.0000000 0.5005969 0.1973657), wk = 0.0024876 k( 80) = ( 0.0000000 0.5005969 0.2153080), wk = 0.0024876 k( 81) = ( 0.0000000 0.5005969 0.2332503), wk = 0.0024876 k( 82) = ( 0.0000000 0.5005969 0.2511927), wk = 0.0024876 k( 83) = ( 0.0000000 0.5005969 0.2691350), wk = 0.0024876 k( 84) = ( 0.0000000 0.5005969 0.2870774), wk = 0.0024876 k( 85) = ( 0.0000000 0.5005969 0.3050197), wk = 0.0024876 k( 86) = ( 0.0000000 0.5005969 0.3229620), wk = 0.0024876 k( 87) = ( 0.0000000 0.5005969 0.3409044), wk = 0.0024876 k( 88) = ( 0.0000000 0.5005969 0.3588467), wk = 0.0024876 k( 89) = ( 0.0000000 0.5005969 0.3767890), wk = 0.0024876 k( 90) = ( 0.0000000 0.5005969 0.3947314), wk = 0.0024876 k( 91) = ( 0.0000000 0.5005969 0.4126737), wk = 0.0024876 k( 92) = ( 0.0000000 0.5005969 0.4306160), wk = 0.0024876 k( 93) = ( 0.0000000 0.5005969 0.4485584), wk = 0.0024876 k( 94) = ( 0.0000000 0.5005969 0.4665007), wk = 0.0024876 k( 95) = ( 0.0000000 0.5005969 0.4844430), wk = 0.0024876 k( 96) = ( 0.0000000 0.5005969 0.5023854), wk = 0.0024876 k( 97) = ( 0.0000000 0.5005969 0.5203277), wk = 0.0024876 k( 98) = ( 0.0000000 0.5005969 0.5382700), wk = 0.0024876 k( 99) = ( 0.0000000 0.5005969 0.5562124), wk = 0.0024876 k( 100) = ( 0.0000000 0.5005969 0.5741547), wk = 0.0024876 k( 101) = ( 0.0000000 0.5005969 0.5920971), wk = 0.0024876 k( 102) = ( 0.0000000 0.5005969 0.6100394), wk = 0.0024876 k( 103) = ( 0.0000000 0.5005969 0.6279817), wk = 0.0024876 k( 104) = ( 0.0000000 0.5005969 0.6459241), wk = 0.0024876 k( 105) = ( 0.0000000 0.5005969 0.6638664), wk = 0.0024876 k( 106) = ( 0.0000000 0.5005969 0.6818087), wk = 0.0024876 k( 107) = ( 0.0000000 0.5005969 0.6997511), wk = 0.0024876 k( 108) = ( 0.0000000 0.5005969 0.7176934), wk = 0.0024876 k( 109) = ( 0.0000000 0.5005969 0.7356357), wk = 0.0024876 k( 110) = ( 0.0000000 0.5005969 0.7535781), wk = 0.0024876 k( 111) = ( 0.0000000 0.5005969 0.7715204), wk = 0.0024876 k( 112) = ( 0.0000000 0.5005969 0.7894627), wk = 0.0024876 k( 113) = ( 0.0000000 0.5005969 0.8074051), wk = 0.0024876 k( 114) = ( 0.0000000 0.5005969 0.8074051), wk = 0.0024876 k( 115) = ( 0.0176566 0.5005968 0.8074051), wk = 0.0024876 k( 116) = ( 0.0353131 0.5005968 0.8074051), wk = 0.0024876 k( 117) = ( 0.0529697 0.5005969 0.8074051), wk = 0.0024876 k( 118) = ( 0.0706263 0.5005969 0.8074051), wk = 0.0024876 k( 119) = ( 0.0882828 0.5005968 0.8074051), wk = 0.0024876 k( 120) = ( 0.1059394 0.5005968 0.8074051), wk = 0.0024876 k( 121) = ( 0.1235960 0.5005969 0.8074051), wk = 0.0024876 k( 122) = ( 0.1412526 0.5005969 0.8074051), wk = 0.0024876 k( 123) = ( 0.1589091 0.5005969 0.8074051), wk = 0.0024876 k( 124) = ( 0.1765657 0.5005968 0.8074051), wk = 0.0024876 k( 125) = ( 0.1942223 0.5005969 0.8074051), wk = 0.0024876 k( 126) = ( 0.2118789 0.5005969 0.8074051), wk = 0.0024876 k( 127) = ( 0.2295354 0.5005969 0.8074051), wk = 0.0024876 k( 128) = ( 0.2471920 0.5005968 0.8074051), wk = 0.0024876 k( 129) = ( 0.2648486 0.5005968 0.8074051), wk = 0.0024876 k( 130) = ( 0.2825051 0.5005969 0.8074051), wk = 0.0024876 k( 131) = ( 0.3001617 0.5005969 0.8074051), wk = 0.0024876 k( 132) = ( 0.3178183 0.5005968 0.8074051), wk = 0.0024876 k( 133) = ( 0.3354748 0.5005968 0.8074051), wk = 0.0024876 k( 134) = ( 0.3531314 0.5005969 0.8074051), wk = 0.0024876 k( 135) = ( 0.3707880 0.5005969 0.8074051), wk = 0.0024876 k( 136) = ( 0.3884446 0.5005969 0.8074051), wk = 0.0024876 k( 137) = ( 0.4061011 0.5005968 0.8074051), wk = 0.0024876 k( 138) = ( 0.4237577 0.5005969 0.8074051), wk = 0.0024876 k( 139) = ( 0.4414143 0.5005969 0.8074051), wk = 0.0024876 k( 140) = ( 0.4590708 0.5005969 0.8074051), wk = 0.0024876 k( 141) = ( 0.4767274 0.5005968 0.8074051), wk = 0.0024876 k( 142) = ( 0.4767274 0.5005968 0.8074051), wk = 0.0024876 k( 143) = ( 0.4641820 0.4874232 0.8074051), wk = 0.0024876 k( 144) = ( 0.4516365 0.4742497 0.8074051), wk = 0.0024876 k( 145) = ( 0.4390910 0.4610760 0.8074051), wk = 0.0024876 k( 146) = ( 0.4265456 0.4479024 0.8074051), wk = 0.0024876 k( 147) = ( 0.4140001 0.4347288 0.8074051), wk = 0.0024876 k( 148) = ( 0.4014547 0.4215552 0.8074051), wk = 0.0024876 k( 149) = ( 0.3889092 0.4083816 0.8074051), wk = 0.0024876 k( 150) = ( 0.3763637 0.3952080 0.8074051), wk = 0.0024876 k( 151) = ( 0.3638183 0.3820344 0.8074051), wk = 0.0024876 k( 152) = ( 0.3512728 0.3688608 0.8074051), wk = 0.0024876 k( 153) = ( 0.3387274 0.3556872 0.8074051), wk = 0.0024876 k( 154) = ( 0.3261819 0.3425136 0.8074051), wk = 0.0024876 k( 155) = ( 0.3136365 0.3293400 0.8074051), wk = 0.0024876 k( 156) = ( 0.3010910 0.3161664 0.8074051), wk = 0.0024876 k( 157) = ( 0.2885455 0.3029928 0.8074051), wk = 0.0024876 k( 158) = ( 0.2760001 0.2898192 0.8074051), wk = 0.0024876 k( 159) = ( 0.2634546 0.2766456 0.8074051), wk = 0.0024876 k( 160) = ( 0.2509092 0.2634720 0.8074051), wk = 0.0024876 k( 161) = ( 0.2383637 0.2502984 0.8074051), wk = 0.0024876 k( 162) = ( 0.2258182 0.2371248 0.8074051), wk = 0.0024876 k( 163) = ( 0.2132728 0.2239512 0.8074051), wk = 0.0024876 k( 164) = ( 0.2007273 0.2107776 0.8074051), wk = 0.0024876 k( 165) = ( 0.1881819 0.1976040 0.8074051), wk = 0.0024876 k( 166) = ( 0.1756364 0.1844304 0.8074051), wk = 0.0024876 k( 167) = ( 0.1630910 0.1712568 0.8074051), wk = 0.0024876 k( 168) = ( 0.1505455 0.1580832 0.8074051), wk = 0.0024876 k( 169) = ( 0.1380000 0.1449096 0.8074051), wk = 0.0024876 k( 170) = ( 0.1254546 0.1317360 0.8074051), wk = 0.0024876 k( 171) = ( 0.1129091 0.1185624 0.8074051), wk = 0.0024876 k( 172) = ( 0.1003637 0.1053888 0.8074051), wk = 0.0024876 k( 173) = ( 0.0878182 0.0922152 0.8074051), wk = 0.0024876 k( 174) = ( 0.0752727 0.0790416 0.8074051), wk = 0.0024876 k( 175) = ( 0.0627273 0.0658680 0.8074051), wk = 0.0024876 k( 176) = ( 0.0501818 0.0526944 0.8074051), wk = 0.0024876 k( 177) = ( 0.0376364 0.0395208 0.8074051), wk = 0.0024876 k( 178) = ( 0.0250909 0.0263472 0.8074051), wk = 0.0024876 k( 179) = ( 0.0125455 0.0131736 0.8074051), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.8074051), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.8074051), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.7894627), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.7715204), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.7535781), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.7356357), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.7176934), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.6997511), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.6818087), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.6638664), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.6459241), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.6279817), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.6100394), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.5920971), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.5741547), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.5562124), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.5382700), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.5203277), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.5023854), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.4844430), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.4665007), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.4485584), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.4306160), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.4126737), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.3947314), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.3767890), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.3588467), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.3409044), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.3229620), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.3050197), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.2870774), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.2691350), wk = 0.0024876 k( 212) = ( 0.0000000 0.0000000 0.2511927), wk = 0.0024876 k( 213) = ( 0.0000000 0.0000000 0.2332503), wk = 0.0024876 k( 214) = ( 0.0000000 0.0000000 0.2153080), wk = 0.0024876 k( 215) = ( 0.0000000 0.0000000 0.1973657), wk = 0.0024876 k( 216) = ( 0.0000000 0.0000000 0.1794233), wk = 0.0024876 k( 217) = ( 0.0000000 0.0000000 0.1614810), wk = 0.0024876 k( 218) = ( 0.0000000 0.0000000 0.1435387), wk = 0.0024876 k( 219) = ( 0.0000000 0.0000000 0.1255963), wk = 0.0024876 k( 220) = ( 0.0000000 0.0000000 0.1076540), wk = 0.0024876 k( 221) = ( 0.0000000 0.0000000 0.0897117), wk = 0.0024876 k( 222) = ( 0.0000000 0.0000000 0.0717693), wk = 0.0024876 k( 223) = ( 0.0000000 0.0000000 0.0538270), wk = 0.0024876 k( 224) = ( 0.0000000 0.0000000 0.0358847), wk = 0.0024876 k( 225) = ( 0.0000000 0.0000000 0.0179423), wk = 0.0024876 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 228) = ( -0.0131579 0.0125305 0.0000000), wk = 0.0024876 k( 229) = ( -0.0263158 0.0250610 0.0000000), wk = 0.0024876 k( 230) = ( -0.0394737 0.0375915 0.0000000), wk = 0.0024876 k( 231) = ( -0.0526316 0.0501220 0.0000000), wk = 0.0024876 k( 232) = ( -0.0657895 0.0626525 0.0000000), wk = 0.0024876 k( 233) = ( -0.0789474 0.0751830 0.0000000), wk = 0.0024876 k( 234) = ( -0.0921053 0.0877135 0.0000000), wk = 0.0024876 k( 235) = ( -0.1052632 0.1002440 0.0000000), wk = 0.0024876 k( 236) = ( -0.1184210 0.1127745 0.0000000), wk = 0.0024876 k( 237) = ( -0.1315790 0.1253050 0.0000000), wk = 0.0024876 k( 238) = ( -0.1447368 0.1378355 0.0000000), wk = 0.0024876 k( 239) = ( -0.1578947 0.1503660 0.0000000), wk = 0.0024876 k( 240) = ( -0.1710526 0.1628965 0.0000000), wk = 0.0024876 k( 241) = ( -0.1842105 0.1754270 0.0000000), wk = 0.0024876 k( 242) = ( -0.1973684 0.1879575 0.0000000), wk = 0.0024876 k( 243) = ( -0.2105263 0.2004880 0.0000000), wk = 0.0024876 k( 244) = ( -0.2236842 0.2130185 0.0000000), wk = 0.0024876 k( 245) = ( -0.2368421 0.2255490 0.0000000), wk = 0.0024876 k( 246) = ( -0.2500000 0.2380795 0.0000000), wk = 0.0024876 k( 247) = ( -0.2631579 0.2506100 0.0000000), wk = 0.0024876 k( 248) = ( -0.2763158 0.2631405 0.0000000), wk = 0.0024876 k( 249) = ( -0.2894737 0.2756710 0.0000000), wk = 0.0024876 k( 250) = ( -0.3026316 0.2882015 0.0000000), wk = 0.0024876 k( 251) = ( -0.3157895 0.3007320 0.0000000), wk = 0.0024876 k( 252) = ( -0.3289474 0.3132625 0.0000000), wk = 0.0024876 k( 253) = ( -0.3421053 0.3257930 0.0000000), wk = 0.0024876 k( 254) = ( -0.3552632 0.3383235 0.0000000), wk = 0.0024876 k( 255) = ( -0.3684211 0.3508540 0.0000000), wk = 0.0024876 k( 256) = ( -0.3815789 0.3633845 0.0000000), wk = 0.0024876 k( 257) = ( -0.3947368 0.3759150 0.0000000), wk = 0.0024876 k( 258) = ( -0.4078947 0.3884455 0.0000000), wk = 0.0024876 k( 259) = ( -0.4210526 0.4009760 0.0000000), wk = 0.0024876 k( 260) = ( -0.4342105 0.4135065 0.0000000), wk = 0.0024876 k( 261) = ( -0.4473684 0.4260370 0.0000000), wk = 0.0024876 k( 262) = ( -0.4605263 0.4385675 0.0000000), wk = 0.0024876 k( 263) = ( -0.4736842 0.4510980 0.0000000), wk = 0.0024876 k( 264) = ( -0.4868421 0.4636285 0.0000000), wk = 0.0024876 k( 265) = ( -0.5000000 0.4761590 0.0000000), wk = 0.0024876 k( 266) = ( -0.5000000 0.4761590 0.0000000), wk = 0.0024876 k( 267) = ( -0.4883637 0.4883779 -0.0000000), wk = 0.0024876 k( 268) = ( -0.4767274 0.5005969 -0.0000000), wk = 0.0024876 k( 269) = ( -0.4767274 0.5005969 -0.0000000), wk = 0.0024876 k( 270) = ( -0.4767274 0.5005969 0.0179423), wk = 0.0024876 k( 271) = ( -0.4767274 0.5005969 0.0358847), wk = 0.0024876 k( 272) = ( -0.4767274 0.5005969 0.0538270), wk = 0.0024876 k( 273) = ( -0.4767274 0.5005969 0.0717693), wk = 0.0024876 k( 274) = ( -0.4767274 0.5005969 0.0897117), wk = 0.0024876 k( 275) = ( -0.4767274 0.5005969 0.1076540), wk = 0.0024876 k( 276) = ( -0.4767274 0.5005969 0.1255963), wk = 0.0024876 k( 277) = ( -0.4767274 0.5005969 0.1435387), wk = 0.0024876 k( 278) = ( -0.4767274 0.5005969 0.1614810), wk = 0.0024876 k( 279) = ( -0.4767274 0.5005969 0.1794233), wk = 0.0024876 k( 280) = ( -0.4767274 0.5005969 0.1973657), wk = 0.0024876 k( 281) = ( -0.4767274 0.5005969 0.2153080), wk = 0.0024876 k( 282) = ( -0.4767274 0.5005969 0.2332503), wk = 0.0024876 k( 283) = ( -0.4767274 0.5005969 0.2511927), wk = 0.0024876 k( 284) = ( -0.4767274 0.5005969 0.2691350), wk = 0.0024876 k( 285) = ( -0.4767274 0.5005969 0.2870774), wk = 0.0024876 k( 286) = ( -0.4767274 0.5005969 0.3050197), wk = 0.0024876 k( 287) = ( -0.4767274 0.5005969 0.3229620), wk = 0.0024876 k( 288) = ( -0.4767274 0.5005969 0.3409044), wk = 0.0024876 k( 289) = ( -0.4767274 0.5005969 0.3588467), wk = 0.0024876 k( 290) = ( -0.4767274 0.5005969 0.3767890), wk = 0.0024876 k( 291) = ( -0.4767274 0.5005969 0.3947314), wk = 0.0024876 k( 292) = ( -0.4767274 0.5005969 0.4126737), wk = 0.0024876 k( 293) = ( -0.4767274 0.5005969 0.4306160), wk = 0.0024876 k( 294) = ( -0.4767274 0.5005969 0.4485584), wk = 0.0024876 k( 295) = ( -0.4767274 0.5005969 0.4665007), wk = 0.0024876 k( 296) = ( -0.4767274 0.5005969 0.4844430), wk = 0.0024876 k( 297) = ( -0.4767274 0.5005969 0.5023854), wk = 0.0024876 k( 298) = ( -0.4767274 0.5005969 0.5203277), wk = 0.0024876 k( 299) = ( -0.4767274 0.5005969 0.5382700), wk = 0.0024876 k( 300) = ( -0.4767274 0.5005969 0.5562124), wk = 0.0024876 k( 301) = ( -0.4767274 0.5005969 0.5741547), wk = 0.0024876 k( 302) = ( -0.4767274 0.5005969 0.5920971), wk = 0.0024876 k( 303) = ( -0.4767274 0.5005969 0.6100394), wk = 0.0024876 k( 304) = ( -0.4767274 0.5005969 0.6279817), wk = 0.0024876 k( 305) = ( -0.4767274 0.5005969 0.6459241), wk = 0.0024876 k( 306) = ( -0.4767274 0.5005969 0.6638664), wk = 0.0024876 k( 307) = ( -0.4767274 0.5005969 0.6818087), wk = 0.0024876 k( 308) = ( -0.4767274 0.5005969 0.6997511), wk = 0.0024876 k( 309) = ( -0.4767274 0.5005969 0.7176934), wk = 0.0024876 k( 310) = ( -0.4767274 0.5005969 0.7356357), wk = 0.0024876 k( 311) = ( -0.4767274 0.5005969 0.7535781), wk = 0.0024876 k( 312) = ( -0.4767274 0.5005969 0.7715204), wk = 0.0024876 k( 313) = ( -0.4767274 0.5005969 0.7894627), wk = 0.0024876 k( 314) = ( -0.4767274 0.5005969 0.8074051), wk = 0.0024876 k( 315) = ( -0.4767274 0.5005969 0.8074051), wk = 0.0024876 k( 316) = ( -0.4883637 0.4883779 0.8074051), wk = 0.0024876 k( 317) = ( -0.5000000 0.4761590 0.8074051), wk = 0.0024876 k( 318) = ( -0.5000000 0.4761590 0.8074051), wk = 0.0024876 k( 319) = ( -0.5000000 0.4761590 0.7894627), wk = 0.0024876 k( 320) = ( -0.5000000 0.4761590 0.7715204), wk = 0.0024876 k( 321) = ( -0.5000000 0.4761590 0.7535781), wk = 0.0024876 k( 322) = ( -0.5000000 0.4761590 0.7356357), wk = 0.0024876 k( 323) = ( -0.5000000 0.4761590 0.7176934), wk = 0.0024876 k( 324) = ( -0.5000000 0.4761590 0.6997511), wk = 0.0024876 k( 325) = ( -0.5000000 0.4761590 0.6818087), wk = 0.0024876 k( 326) = ( -0.5000000 0.4761590 0.6638664), wk = 0.0024876 k( 327) = ( -0.5000000 0.4761590 0.6459241), wk = 0.0024876 k( 328) = ( -0.5000000 0.4761590 0.6279817), wk = 0.0024876 k( 329) = ( -0.5000000 0.4761590 0.6100394), wk = 0.0024876 k( 330) = ( -0.5000000 0.4761590 0.5920971), wk = 0.0024876 k( 331) = ( -0.5000000 0.4761590 0.5741547), wk = 0.0024876 k( 332) = ( -0.5000000 0.4761590 0.5562124), wk = 0.0024876 k( 333) = ( -0.5000000 0.4761590 0.5382700), wk = 0.0024876 k( 334) = ( -0.5000000 0.4761590 0.5203277), wk = 0.0024876 k( 335) = ( -0.5000000 0.4761590 0.5023854), wk = 0.0024876 k( 336) = ( -0.5000000 0.4761590 0.4844430), wk = 0.0024876 k( 337) = ( -0.5000000 0.4761590 0.4665007), wk = 0.0024876 k( 338) = ( -0.5000000 0.4761590 0.4485584), wk = 0.0024876 k( 339) = ( -0.5000000 0.4761590 0.4306160), wk = 0.0024876 k( 340) = ( -0.5000000 0.4761590 0.4126737), wk = 0.0024876 k( 341) = ( -0.5000000 0.4761590 0.3947314), wk = 0.0024876 k( 342) = ( -0.5000000 0.4761590 0.3767890), wk = 0.0024876 k( 343) = ( -0.5000000 0.4761590 0.3588467), wk = 0.0024876 k( 344) = ( -0.5000000 0.4761590 0.3409044), wk = 0.0024876 k( 345) = ( -0.5000000 0.4761590 0.3229620), wk = 0.0024876 k( 346) = ( -0.5000000 0.4761590 0.3050197), wk = 0.0024876 k( 347) = ( -0.5000000 0.4761590 0.2870774), wk = 0.0024876 k( 348) = ( -0.5000000 0.4761590 0.2691350), wk = 0.0024876 k( 349) = ( -0.5000000 0.4761590 0.2511927), wk = 0.0024876 k( 350) = ( -0.5000000 0.4761590 0.2332503), wk = 0.0024876 k( 351) = ( -0.5000000 0.4761590 0.2153080), wk = 0.0024876 k( 352) = ( -0.5000000 0.4761590 0.1973657), wk = 0.0024876 k( 353) = ( -0.5000000 0.4761590 0.1794233), wk = 0.0024876 k( 354) = ( -0.5000000 0.4761590 0.1614810), wk = 0.0024876 k( 355) = ( -0.5000000 0.4761590 0.1435387), wk = 0.0024876 k( 356) = ( -0.5000000 0.4761590 0.1255963), wk = 0.0024876 k( 357) = ( -0.5000000 0.4761590 0.1076540), wk = 0.0024876 k( 358) = ( -0.5000000 0.4761590 0.0897117), wk = 0.0024876 k( 359) = ( -0.5000000 0.4761590 0.0717693), wk = 0.0024876 k( 360) = ( -0.5000000 0.4761590 0.0538270), wk = 0.0024876 k( 361) = ( -0.5000000 0.4761590 0.0358847), wk = 0.0024876 k( 362) = ( -0.5000000 0.4761590 0.0179423), wk = 0.0024876 k( 363) = ( -0.5000000 0.4761590 0.0000000), wk = 0.0024876 k( 364) = ( 0.0000000 0.0000000 0.8074051), wk = 0.0024876 k( 365) = ( -0.0131579 0.0125305 0.8074051), wk = 0.0024876 k( 366) = ( -0.0263158 0.0250610 0.8074051), wk = 0.0024876 k( 367) = ( -0.0394737 0.0375915 0.8074051), wk = 0.0024876 k( 368) = ( -0.0526316 0.0501220 0.8074051), wk = 0.0024876 k( 369) = ( -0.0657895 0.0626525 0.8074051), wk = 0.0024876 k( 370) = ( -0.0789474 0.0751830 0.8074051), wk = 0.0024876 k( 371) = ( -0.0921053 0.0877135 0.8074051), wk = 0.0024876 k( 372) = ( -0.1052632 0.1002440 0.8074051), wk = 0.0024876 k( 373) = ( -0.1184210 0.1127745 0.8074051), wk = 0.0024876 k( 374) = ( -0.1315790 0.1253050 0.8074051), wk = 0.0024876 k( 375) = ( -0.1447368 0.1378355 0.8074051), wk = 0.0024876 k( 376) = ( -0.1578947 0.1503660 0.8074051), wk = 0.0024876 k( 377) = ( -0.1710526 0.1628965 0.8074051), wk = 0.0024876 k( 378) = ( -0.1842105 0.1754270 0.8074051), wk = 0.0024876 k( 379) = ( -0.1973684 0.1879575 0.8074051), wk = 0.0024876 k( 380) = ( -0.2105263 0.2004880 0.8074051), wk = 0.0024876 k( 381) = ( -0.2236842 0.2130185 0.8074051), wk = 0.0024876 k( 382) = ( -0.2368421 0.2255490 0.8074051), wk = 0.0024876 k( 383) = ( -0.2500000 0.2380795 0.8074051), wk = 0.0024876 k( 384) = ( -0.2631579 0.2506100 0.8074051), wk = 0.0024876 k( 385) = ( -0.2763158 0.2631405 0.8074051), wk = 0.0024876 k( 386) = ( -0.2894737 0.2756710 0.8074051), wk = 0.0024876 k( 387) = ( -0.3026316 0.2882015 0.8074051), wk = 0.0024876 k( 388) = ( -0.3157895 0.3007320 0.8074051), wk = 0.0024876 k( 389) = ( -0.3289474 0.3132625 0.8074051), wk = 0.0024876 k( 390) = ( -0.3421053 0.3257930 0.8074051), wk = 0.0024876 k( 391) = ( -0.3552632 0.3383235 0.8074051), wk = 0.0024876 k( 392) = ( -0.3684211 0.3508540 0.8074051), wk = 0.0024876 k( 393) = ( -0.3815789 0.3633845 0.8074051), wk = 0.0024876 k( 394) = ( -0.3947368 0.3759150 0.8074051), wk = 0.0024876 k( 395) = ( -0.4078947 0.3884455 0.8074051), wk = 0.0024876 k( 396) = ( -0.4210526 0.4009760 0.8074051), wk = 0.0024876 k( 397) = ( -0.4342105 0.4135065 0.8074051), wk = 0.0024876 k( 398) = ( -0.4473684 0.4260370 0.8074051), wk = 0.0024876 k( 399) = ( -0.4605263 0.4385675 0.8074051), wk = 0.0024876 k( 400) = ( -0.4736842 0.4510980 0.8074051), wk = 0.0024876 k( 401) = ( -0.4868421 0.4636285 0.8074051), wk = 0.0024876 k( 402) = ( -0.5000000 0.4761590 0.8074051), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0125455 0.0125455 0.0000000), wk = 0.0024876 k( 3) = ( 0.0250909 0.0250909 0.0000000), wk = 0.0024876 k( 4) = ( 0.0376364 0.0376364 0.0000000), wk = 0.0024876 k( 5) = ( 0.0501818 0.0501818 0.0000000), wk = 0.0024876 k( 6) = ( 0.0627273 0.0627273 0.0000000), wk = 0.0024876 k( 7) = ( 0.0752727 0.0752727 0.0000000), wk = 0.0024876 k( 8) = ( 0.0878182 0.0878182 0.0000000), wk = 0.0024876 k( 9) = ( 0.1003637 0.1003637 0.0000000), wk = 0.0024876 k( 10) = ( 0.1129091 0.1129091 -0.0000000), wk = 0.0024876 k( 11) = ( 0.1254546 0.1254546 0.0000000), wk = 0.0024876 k( 12) = ( 0.1380000 0.1380000 0.0000000), wk = 0.0024876 k( 13) = ( 0.1505455 0.1505455 0.0000000), wk = 0.0024876 k( 14) = ( 0.1630910 0.1630910 0.0000000), wk = 0.0024876 k( 15) = ( 0.1756364 0.1756364 0.0000000), wk = 0.0024876 k( 16) = ( 0.1881819 0.1881819 0.0000000), wk = 0.0024876 k( 17) = ( 0.2007273 0.2007273 0.0000000), wk = 0.0024876 k( 18) = ( 0.2132728 0.2132728 0.0000000), wk = 0.0024876 k( 19) = ( 0.2258182 0.2258183 -0.0000000), wk = 0.0024876 k( 20) = ( 0.2383637 0.2383637 0.0000000), wk = 0.0024876 k( 21) = ( 0.2509092 0.2509092 0.0000000), wk = 0.0024876 k( 22) = ( 0.2634546 0.2634546 0.0000000), wk = 0.0024876 k( 23) = ( 0.2760001 0.2760001 0.0000000), wk = 0.0024876 k( 24) = ( 0.2885455 0.2885455 0.0000000), wk = 0.0024876 k( 25) = ( 0.3010910 0.3010910 0.0000000), wk = 0.0024876 k( 26) = ( 0.3136365 0.3136365 0.0000000), wk = 0.0024876 k( 27) = ( 0.3261819 0.3261819 0.0000000), wk = 0.0024876 k( 28) = ( 0.3387274 0.3387274 0.0000000), wk = 0.0024876 k( 29) = ( 0.3512728 0.3512728 0.0000000), wk = 0.0024876 k( 30) = ( 0.3638183 0.3638183 0.0000000), wk = 0.0024876 k( 31) = ( 0.3763637 0.3763637 0.0000000), wk = 0.0024876 k( 32) = ( 0.3889092 0.3889092 0.0000000), wk = 0.0024876 k( 33) = ( 0.4014547 0.4014547 0.0000000), wk = 0.0024876 k( 34) = ( 0.4140001 0.4140001 0.0000000), wk = 0.0024876 k( 35) = ( 0.4265456 0.4265456 0.0000000), wk = 0.0024876 k( 36) = ( 0.4390910 0.4390910 0.0000000), wk = 0.0024876 k( 37) = ( 0.4516365 0.4516365 -0.0000000), wk = 0.0024876 k( 38) = ( 0.4641820 0.4641820 0.0000000), wk = 0.0024876 k( 39) = ( 0.4767274 0.4767274 -0.0000000), wk = 0.0024876 k( 40) = ( 0.4767274 0.4767274 -0.0000000), wk = 0.0024876 k( 41) = ( 0.4590708 0.4775894 0.0000000), wk = 0.0024876 k( 42) = ( 0.4414143 0.4784513 0.0000000), wk = 0.0024876 k( 43) = ( 0.4237577 0.4793133 0.0000000), wk = 0.0024876 k( 44) = ( 0.4061011 0.4801752 0.0000000), wk = 0.0024876 k( 45) = ( 0.3884446 0.4810372 0.0000000), wk = 0.0024876 k( 46) = ( 0.3707880 0.4818991 0.0000000), wk = 0.0024876 k( 47) = ( 0.3531314 0.4827611 0.0000000), wk = 0.0024876 k( 48) = ( 0.3354748 0.4836230 0.0000000), wk = 0.0024876 k( 49) = ( 0.3178183 0.4844849 0.0000000), wk = 0.0024876 k( 50) = ( 0.3001617 0.4853469 0.0000000), wk = 0.0024876 k( 51) = ( 0.2825051 0.4862088 0.0000000), wk = 0.0024876 k( 52) = ( 0.2648486 0.4870708 0.0000000), wk = 0.0024876 k( 53) = ( 0.2471920 0.4879327 0.0000000), wk = 0.0024876 k( 54) = ( 0.2295354 0.4887947 -0.0000000), wk = 0.0024876 k( 55) = ( 0.2118789 0.4896566 0.0000000), wk = 0.0024876 k( 56) = ( 0.1942223 0.4905186 0.0000000), wk = 0.0024876 k( 57) = ( 0.1765657 0.4913805 0.0000000), wk = 0.0024876 k( 58) = ( 0.1589091 0.4922425 0.0000000), wk = 0.0024876 k( 59) = ( 0.1412526 0.4931044 0.0000000), wk = 0.0024876 k( 60) = ( 0.1235960 0.4939664 0.0000000), wk = 0.0024876 k( 61) = ( 0.1059394 0.4948283 0.0000000), wk = 0.0024876 k( 62) = ( 0.0882828 0.4956903 0.0000000), wk = 0.0024876 k( 63) = ( 0.0706263 0.4965522 0.0000000), wk = 0.0024876 k( 64) = ( 0.0529697 0.4974142 0.0000000), wk = 0.0024876 k( 65) = ( 0.0353131 0.4982761 0.0000000), wk = 0.0024876 k( 66) = ( 0.0176566 0.4991380 0.0000000), wk = 0.0024876 k( 67) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 68) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 69) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0024876 k( 70) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0024876 k( 101) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0024876 k( 102) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0024876 k( 103) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0024876 k( 104) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024876 k( 105) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0024876 k( 106) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0024876 k( 107) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0024876 k( 108) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0024876 k( 109) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0024876 k( 110) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0024876 k( 111) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0024876 k( 112) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0024876 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 114) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 115) = ( 0.0176566 0.4991380 0.5000000), wk = 0.0024876 k( 116) = ( 0.0353131 0.4982761 0.5000000), wk = 0.0024876 k( 117) = ( 0.0529697 0.4974142 0.5000000), wk = 0.0024876 k( 118) = ( 0.0706263 0.4965522 0.5000000), wk = 0.0024876 k( 119) = ( 0.0882828 0.4956903 0.5000000), wk = 0.0024876 k( 120) = ( 0.1059394 0.4948283 0.5000000), wk = 0.0024876 k( 121) = ( 0.1235960 0.4939664 0.5000000), wk = 0.0024876 k( 122) = ( 0.1412526 0.4931044 0.5000000), wk = 0.0024876 k( 123) = ( 0.1589091 0.4922425 0.5000000), wk = 0.0024876 k( 124) = ( 0.1765657 0.4913805 0.5000000), wk = 0.0024876 k( 125) = ( 0.1942223 0.4905186 0.5000000), wk = 0.0024876 k( 126) = ( 0.2118789 0.4896566 0.5000000), wk = 0.0024876 k( 127) = ( 0.2295354 0.4887947 0.5000000), wk = 0.0024876 k( 128) = ( 0.2471920 0.4879327 0.5000000), wk = 0.0024876 k( 129) = ( 0.2648486 0.4870708 0.5000000), wk = 0.0024876 k( 130) = ( 0.2825051 0.4862088 0.5000000), wk = 0.0024876 k( 131) = ( 0.3001617 0.4853469 0.5000000), wk = 0.0024876 k( 132) = ( 0.3178183 0.4844849 0.5000000), wk = 0.0024876 k( 133) = ( 0.3354748 0.4836230 0.5000000), wk = 0.0024876 k( 134) = ( 0.3531314 0.4827611 0.5000000), wk = 0.0024876 k( 135) = ( 0.3707880 0.4818991 0.5000000), wk = 0.0024876 k( 136) = ( 0.3884446 0.4810372 0.5000000), wk = 0.0024876 k( 137) = ( 0.4061011 0.4801752 0.5000000), wk = 0.0024876 k( 138) = ( 0.4237577 0.4793133 0.5000000), wk = 0.0024876 k( 139) = ( 0.4414143 0.4784513 0.5000000), wk = 0.0024876 k( 140) = ( 0.4590708 0.4775894 0.5000000), wk = 0.0024876 k( 141) = ( 0.4767274 0.4767274 0.5000000), wk = 0.0024876 k( 142) = ( 0.4767274 0.4767274 0.5000000), wk = 0.0024876 k( 143) = ( 0.4641820 0.4641820 0.5000000), wk = 0.0024876 k( 144) = ( 0.4516365 0.4516365 0.5000000), wk = 0.0024876 k( 145) = ( 0.4390910 0.4390910 0.5000000), wk = 0.0024876 k( 146) = ( 0.4265456 0.4265456 0.5000000), wk = 0.0024876 k( 147) = ( 0.4140001 0.4140001 0.5000000), wk = 0.0024876 k( 148) = ( 0.4014547 0.4014547 0.5000000), wk = 0.0024876 k( 149) = ( 0.3889092 0.3889092 0.5000000), wk = 0.0024876 k( 150) = ( 0.3763637 0.3763637 0.5000000), wk = 0.0024876 k( 151) = ( 0.3638183 0.3638183 0.5000000), wk = 0.0024876 k( 152) = ( 0.3512728 0.3512728 0.5000000), wk = 0.0024876 k( 153) = ( 0.3387274 0.3387274 0.5000000), wk = 0.0024876 k( 154) = ( 0.3261819 0.3261819 0.5000000), wk = 0.0024876 k( 155) = ( 0.3136365 0.3136365 0.5000000), wk = 0.0024876 k( 156) = ( 0.3010910 0.3010910 0.5000000), wk = 0.0024876 k( 157) = ( 0.2885455 0.2885455 0.5000000), wk = 0.0024876 k( 158) = ( 0.2760001 0.2760001 0.5000000), wk = 0.0024876 k( 159) = ( 0.2634546 0.2634546 0.5000000), wk = 0.0024876 k( 160) = ( 0.2509092 0.2509092 0.5000000), wk = 0.0024876 k( 161) = ( 0.2383637 0.2383637 0.5000000), wk = 0.0024876 k( 162) = ( 0.2258182 0.2258183 0.5000000), wk = 0.0024876 k( 163) = ( 0.2132728 0.2132728 0.5000000), wk = 0.0024876 k( 164) = ( 0.2007273 0.2007273 0.5000000), wk = 0.0024876 k( 165) = ( 0.1881819 0.1881819 0.5000000), wk = 0.0024876 k( 166) = ( 0.1756364 0.1756364 0.5000000), wk = 0.0024876 k( 167) = ( 0.1630910 0.1630910 0.5000000), wk = 0.0024876 k( 168) = ( 0.1505455 0.1505455 0.5000000), wk = 0.0024876 k( 169) = ( 0.1380000 0.1380000 0.5000000), wk = 0.0024876 k( 170) = ( 0.1254546 0.1254546 0.5000000), wk = 0.0024876 k( 171) = ( 0.1129091 0.1129091 0.5000000), wk = 0.0024876 k( 172) = ( 0.1003637 0.1003637 0.5000000), wk = 0.0024876 k( 173) = ( 0.0878182 0.0878182 0.5000000), wk = 0.0024876 k( 174) = ( 0.0752727 0.0752727 0.5000000), wk = 0.0024876 k( 175) = ( 0.0627273 0.0627273 0.5000000), wk = 0.0024876 k( 176) = ( 0.0501818 0.0501818 0.5000000), wk = 0.0024876 k( 177) = ( 0.0376364 0.0376364 0.5000000), wk = 0.0024876 k( 178) = ( 0.0250909 0.0250909 0.5000000), wk = 0.0024876 k( 179) = ( 0.0125455 0.0125455 0.5000000), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024876 k( 212) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0024876 k( 213) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0024876 k( 214) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024876 k( 215) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0024876 k( 216) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024876 k( 217) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024876 k( 218) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0024876 k( 219) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0024876 k( 220) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024876 k( 221) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024876 k( 222) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0024876 k( 223) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024876 k( 224) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0024876 k( 225) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0024876 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 228) = ( -0.0131579 0.0131579 0.0000000), wk = 0.0024876 k( 229) = ( -0.0263158 0.0263158 0.0000000), wk = 0.0024876 k( 230) = ( -0.0394737 0.0394737 -0.0000000), wk = 0.0024876 k( 231) = ( -0.0526316 0.0526316 0.0000000), wk = 0.0024876 k( 232) = ( -0.0657895 0.0657895 -0.0000000), wk = 0.0024876 k( 233) = ( -0.0789474 0.0789474 -0.0000000), wk = 0.0024876 k( 234) = ( -0.0921053 0.0921053 0.0000000), wk = 0.0024876 k( 235) = ( -0.1052632 0.1052632 0.0000000), wk = 0.0024876 k( 236) = ( -0.1184210 0.1184210 -0.0000000), wk = 0.0024876 k( 237) = ( -0.1315790 0.1315790 -0.0000000), wk = 0.0024876 k( 238) = ( -0.1447368 0.1447368 0.0000000), wk = 0.0024876 k( 239) = ( -0.1578947 0.1578947 -0.0000000), wk = 0.0024876 k( 240) = ( -0.1710526 0.1710526 -0.0000000), wk = 0.0024876 k( 241) = ( -0.1842105 0.1842105 0.0000000), wk = 0.0024876 k( 242) = ( -0.1973684 0.1973684 -0.0000000), wk = 0.0024876 k( 243) = ( -0.2105263 0.2105263 0.0000000), wk = 0.0024876 k( 244) = ( -0.2236842 0.2236842 -0.0000000), wk = 0.0024876 k( 245) = ( -0.2368421 0.2368421 -0.0000000), wk = 0.0024876 k( 246) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0024876 k( 247) = ( -0.2631579 0.2631579 -0.0000000), wk = 0.0024876 k( 248) = ( -0.2763158 0.2763158 -0.0000000), wk = 0.0024876 k( 249) = ( -0.2894737 0.2894737 0.0000000), wk = 0.0024876 k( 250) = ( -0.3026316 0.3026316 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3289474 0.3289474 0.0000000), wk = 0.0024876 k( 253) = ( -0.3421053 0.3421053 -0.0000000), wk = 0.0024876 k( 254) = ( -0.3552632 0.3552632 0.0000000), wk = 0.0024876 k( 255) = ( -0.3684211 0.3684211 0.0000000), wk = 0.0024876 k( 256) = ( -0.3815789 0.3815789 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3947368 0.3947368 -0.0000000), wk = 0.0024876 k( 258) = ( -0.4078947 0.4078947 0.0000000), wk = 0.0024876 k( 259) = ( -0.4210526 0.4210526 -0.0000000), wk = 0.0024876 k( 260) = ( -0.4342105 0.4342105 0.0000000), wk = 0.0024876 k( 261) = ( -0.4473684 0.4473684 -0.0000000), wk = 0.0024876 k( 262) = ( -0.4605263 0.4605263 -0.0000000), wk = 0.0024876 k( 263) = ( -0.4736842 0.4736842 0.0000000), wk = 0.0024876 k( 264) = ( -0.4868421 0.4868421 -0.0000000), wk = 0.0024876 k( 265) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 266) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 267) = ( -0.4883637 0.5116363 -0.0000000), wk = 0.0024876 k( 268) = ( -0.4767274 0.5232726 0.0000000), wk = 0.0024876 k( 269) = ( -0.4767274 0.5232726 0.0000000), wk = 0.0024876 k( 270) = ( -0.4767274 0.5232726 0.0111111), wk = 0.0024876 k( 271) = ( -0.4767274 0.5232726 0.0222222), wk = 0.0024876 k( 272) = ( -0.4767274 0.5232726 0.0333333), wk = 0.0024876 k( 273) = ( -0.4767274 0.5232726 0.0444444), wk = 0.0024876 k( 274) = ( -0.4767274 0.5232726 0.0555556), wk = 0.0024876 k( 275) = ( -0.4767274 0.5232726 0.0666667), wk = 0.0024876 k( 276) = ( -0.4767274 0.5232726 0.0777778), wk = 0.0024876 k( 277) = ( -0.4767274 0.5232726 0.0888889), wk = 0.0024876 k( 278) = ( -0.4767274 0.5232726 0.1000000), wk = 0.0024876 k( 279) = ( -0.4767274 0.5232726 0.1111111), wk = 0.0024876 k( 280) = ( -0.4767274 0.5232726 0.1222222), wk = 0.0024876 k( 281) = ( -0.4767274 0.5232726 0.1333333), wk = 0.0024876 k( 282) = ( -0.4767274 0.5232726 0.1444444), wk = 0.0024876 k( 283) = ( -0.4767274 0.5232726 0.1555556), wk = 0.0024876 k( 284) = ( -0.4767274 0.5232726 0.1666667), wk = 0.0024876 k( 285) = ( -0.4767274 0.5232726 0.1777778), wk = 0.0024876 k( 286) = ( -0.4767274 0.5232726 0.1888889), wk = 0.0024876 k( 287) = ( -0.4767274 0.5232726 0.2000000), wk = 0.0024876 k( 288) = ( -0.4767274 0.5232726 0.2111111), wk = 0.0024876 k( 289) = ( -0.4767274 0.5232726 0.2222222), wk = 0.0024876 k( 290) = ( -0.4767274 0.5232726 0.2333333), wk = 0.0024876 k( 291) = ( -0.4767274 0.5232726 0.2444444), wk = 0.0024876 k( 292) = ( -0.4767274 0.5232726 0.2555556), wk = 0.0024876 k( 293) = ( -0.4767274 0.5232726 0.2666667), wk = 0.0024876 k( 294) = ( -0.4767274 0.5232726 0.2777778), wk = 0.0024876 k( 295) = ( -0.4767274 0.5232726 0.2888889), wk = 0.0024876 k( 296) = ( -0.4767274 0.5232726 0.3000000), wk = 0.0024876 k( 297) = ( -0.4767274 0.5232726 0.3111111), wk = 0.0024876 k( 298) = ( -0.4767274 0.5232726 0.3222222), wk = 0.0024876 k( 299) = ( -0.4767274 0.5232726 0.3333333), wk = 0.0024876 k( 300) = ( -0.4767274 0.5232726 0.3444444), wk = 0.0024876 k( 301) = ( -0.4767274 0.5232726 0.3555556), wk = 0.0024876 k( 302) = ( -0.4767274 0.5232726 0.3666667), wk = 0.0024876 k( 303) = ( -0.4767274 0.5232726 0.3777778), wk = 0.0024876 k( 304) = ( -0.4767274 0.5232726 0.3888889), wk = 0.0024876 k( 305) = ( -0.4767274 0.5232726 0.4000000), wk = 0.0024876 k( 306) = ( -0.4767274 0.5232726 0.4111111), wk = 0.0024876 k( 307) = ( -0.4767274 0.5232726 0.4222222), wk = 0.0024876 k( 308) = ( -0.4767274 0.5232726 0.4333333), wk = 0.0024876 k( 309) = ( -0.4767274 0.5232726 0.4444444), wk = 0.0024876 k( 310) = ( -0.4767274 0.5232726 0.4555556), wk = 0.0024876 k( 311) = ( -0.4767274 0.5232726 0.4666667), wk = 0.0024876 k( 312) = ( -0.4767274 0.5232726 0.4777778), wk = 0.0024876 k( 313) = ( -0.4767274 0.5232726 0.4888889), wk = 0.0024876 k( 314) = ( -0.4767274 0.5232726 0.5000000), wk = 0.0024876 k( 315) = ( -0.4767274 0.5232726 0.5000000), wk = 0.0024876 k( 316) = ( -0.4883637 0.5116363 0.5000000), wk = 0.0024876 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 319) = ( -0.5000000 0.5000000 0.4888889), wk = 0.0024876 k( 320) = ( -0.5000000 0.5000000 0.4777778), wk = 0.0024876 k( 321) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0024876 k( 322) = ( -0.5000000 0.5000000 0.4555556), wk = 0.0024876 k( 323) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0024876 k( 324) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0024876 k( 325) = ( -0.5000000 0.5000000 0.4222222), wk = 0.0024876 k( 326) = ( -0.5000000 0.5000000 0.4111111), wk = 0.0024876 k( 327) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024876 k( 328) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0024876 k( 329) = ( -0.5000000 0.5000000 0.3777778), wk = 0.0024876 k( 330) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0024876 k( 331) = ( -0.5000000 0.5000000 0.3555556), wk = 0.0024876 k( 332) = ( -0.5000000 0.5000000 0.3444444), wk = 0.0024876 k( 333) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024876 k( 334) = ( -0.5000000 0.5000000 0.3222222), wk = 0.0024876 k( 335) = ( -0.5000000 0.5000000 0.3111111), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.2888889), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.2555556), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.2444444), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.2111111), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.1888889), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.1777778), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.1555556), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.1444444), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.1222222), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.0888889), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.0777778), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.0444444), wk = 0.0024876 k( 360) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0024876 k( 361) = ( -0.5000000 0.5000000 0.0222222), wk = 0.0024876 k( 362) = ( -0.5000000 0.5000000 0.0111111), wk = 0.0024876 k( 363) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 365) = ( -0.0131579 0.0131579 0.5000000), wk = 0.0024876 k( 366) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0024876 k( 367) = ( -0.0394737 0.0394737 0.5000000), wk = 0.0024876 k( 368) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0024876 k( 369) = ( -0.0657895 0.0657895 0.5000000), wk = 0.0024876 k( 370) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0024876 k( 371) = ( -0.0921053 0.0921053 0.5000000), wk = 0.0024876 k( 372) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0024876 k( 373) = ( -0.1184210 0.1184210 0.5000000), wk = 0.0024876 k( 374) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0024876 k( 375) = ( -0.1447368 0.1447368 0.5000000), wk = 0.0024876 k( 376) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0024876 k( 377) = ( -0.1710526 0.1710526 0.5000000), wk = 0.0024876 k( 378) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0024876 k( 379) = ( -0.1973684 0.1973684 0.5000000), wk = 0.0024876 k( 380) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0024876 k( 381) = ( -0.2236842 0.2236842 0.5000000), wk = 0.0024876 k( 382) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0024876 k( 383) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024876 k( 384) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0024876 k( 385) = ( -0.2763158 0.2763158 0.5000000), wk = 0.0024876 k( 386) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0024876 k( 387) = ( -0.3026316 0.3026316 0.5000000), wk = 0.0024876 k( 388) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0024876 k( 389) = ( -0.3289474 0.3289474 0.5000000), wk = 0.0024876 k( 390) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0024876 k( 391) = ( -0.3552632 0.3552632 0.5000000), wk = 0.0024876 k( 392) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0024876 k( 393) = ( -0.3815789 0.3815789 0.5000000), wk = 0.0024876 k( 394) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0024876 k( 395) = ( -0.4078947 0.4078947 0.5000000), wk = 0.0024876 k( 396) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0024876 k( 397) = ( -0.4342105 0.4342105 0.5000000), wk = 0.0024876 k( 398) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0024876 k( 399) = ( -0.4605263 0.4605263 0.5000000), wk = 0.0024876 k( 400) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0024876 k( 401) = ( -0.4868421 0.4868421 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 59517 G-vectors FFT dimensions: ( 60, 60, 36) Smooth grid: 43757 G-vectors FFT dimensions: ( 54, 54, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 244, 52) NL pseudopotentials 0.32 Mb ( 122, 170) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1241) G-vector shells 0.00 Mb ( 637) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 244, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./OsCl4.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 43.7 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.0 secs Computing kpt #: 5 total cpu time spent up to now is 48.7 secs Computing kpt #: 6 total cpu time spent up to now is 50.4 secs Computing kpt #: 7 total cpu time spent up to now is 52.1 secs Computing kpt #: 8 total cpu time spent up to now is 53.8 secs Computing kpt #: 9 total cpu time spent up to now is 55.5 secs Computing kpt #: 10 total cpu time spent up to now is 57.4 secs Computing kpt #: 11 total cpu time spent up to now is 59.3 secs Computing kpt #: 12 total cpu time spent up to now is 61.2 secs Computing kpt #: 13 total cpu time spent up to now is 63.2 secs Computing kpt #: 14 total cpu time spent up to now is 65.0 secs Computing kpt #: 15 total cpu time spent up to now is 67.0 secs Computing kpt #: 16 total cpu time spent up to now is 69.1 secs Computing kpt #: 17 total cpu time spent up to now is 71.5 secs Computing kpt #: 18 total cpu time spent up to now is 74.1 secs Computing kpt #: 19 total cpu time spent up to now is 76.3 secs Computing kpt #: 20 total cpu time spent up to now is 78.6 secs Computing kpt #: 21 total cpu time spent up to now is 81.6 secs Computing kpt #: 22 total cpu time spent up to now is 85.3 secs Computing kpt #: 23 total cpu time spent up to now is 88.8 secs Computing kpt #: 24 total cpu time spent up to now is 92.3 secs Computing kpt #: 25 total cpu time spent up to now is 96.3 secs Computing kpt #: 26 total cpu time spent up to now is 100.3 secs Computing kpt #: 27 total cpu time spent up to now is 103.8 secs Computing kpt #: 28 total cpu time spent up to now is 106.9 secs Computing kpt #: 29 total cpu time spent up to now is 109.7 secs Computing kpt #: 30 total cpu time spent up to now is 111.9 secs Computing kpt #: 31 total cpu time spent up to now is 114.1 secs Computing kpt #: 32 total cpu time spent up to now is 116.9 secs Computing kpt #: 33 total cpu time spent up to now is 119.5 secs Computing kpt #: 34 total cpu time spent up to now is 121.7 secs Computing kpt #: 35 total cpu time spent up to now is 124.2 secs Computing kpt #: 36 total cpu time spent up to now is 126.2 secs Computing kpt #: 37 total cpu time spent up to now is 128.2 secs Computing kpt #: 38 total cpu time spent up to now is 130.1 secs Computing kpt #: 39 total cpu time spent up to now is 132.1 secs Computing kpt #: 40 total cpu time spent up to now is 134.1 secs Computing kpt #: 41 total cpu time spent up to now is 135.9 secs Computing kpt #: 42 total cpu time spent up to now is 137.9 secs Computing kpt #: 43 total cpu time spent up to now is 140.3 secs Computing kpt #: 44 total cpu time spent up to now is 142.5 secs Computing kpt #: 45 total cpu time spent up to now is 144.5 secs Computing kpt #: 46 total cpu time spent up to now is 146.9 secs Computing kpt #: 47 total cpu time spent up to now is 149.0 secs Computing kpt #: 48 total cpu time spent up to now is 151.1 secs Computing kpt #: 49 total cpu time spent up to now is 153.4 secs Computing kpt #: 50 total cpu time spent up to now is 156.6 secs Computing kpt #: 51 total cpu time spent up to now is 159.0 secs Computing kpt #: 52 total cpu time spent up to now is 161.3 secs Computing kpt #: 53 total cpu time spent up to now is 163.5 secs Computing kpt #: 54 total cpu time spent up to now is 165.7 secs Computing kpt #: 55 total cpu time spent up to now is 168.5 secs Computing kpt #: 56 total cpu time spent up to now is 171.1 secs Computing kpt #: 57 total cpu time spent up to now is 173.9 secs Computing kpt #: 58 total cpu time spent up to now is 176.6 secs Computing kpt #: 59 total cpu time spent up to now is 179.4 secs Computing kpt #: 60 total cpu time spent up to now is 181.9 secs Computing kpt #: 61 total cpu time spent up to now is 184.7 secs Computing kpt #: 62 total cpu time spent up to now is 187.4 secs Computing kpt #: 63 total cpu time spent up to now is 189.9 secs Computing kpt #: 64 total cpu time spent up to now is 192.9 secs Computing kpt #: 65 total cpu time spent up to now is 195.4 secs Computing kpt #: 66 total cpu time spent up to now is 197.9 secs Computing kpt #: 67 total cpu time spent up to now is 200.9 secs Computing kpt #: 68 total cpu time spent up to now is 203.3 secs Computing kpt #: 69 total cpu time spent up to now is 205.8 secs Computing kpt #: 70 total cpu time spent up to now is 208.3 secs Computing kpt #: 71 total cpu time spent up to now is 210.8 secs Computing kpt #: 72 total cpu time spent up to now is 214.0 secs Computing kpt #: 73 total cpu time spent up to now is 217.1 secs Computing kpt #: 74 total cpu time spent up to now is 219.9 secs Computing kpt #: 75 total cpu time spent up to now is 223.3 secs Computing kpt #: 76 total cpu time spent up to now is 226.5 secs Computing kpt #: 77 total cpu time spent up to now is 228.8 secs Computing kpt #: 78 total cpu time spent up to now is 231.1 secs Computing kpt #: 79 total cpu time spent up to now is 233.3 secs Computing kpt #: 80 total cpu time spent up to now is 235.5 secs Computing kpt #: 81 total cpu time spent up to now is 237.5 secs Computing kpt #: 82 total cpu time spent up to now is 239.6 secs Computing kpt #: 83 total cpu time spent up to now is 241.6 secs Computing kpt #: 84 total cpu time spent up to now is 243.5 secs Computing kpt #: 85 total cpu time spent up to now is 245.4 secs Computing kpt #: 86 total cpu time spent up to now is 247.4 secs Computing kpt #: 87 total cpu time spent up to now is 249.6 secs Computing kpt #: 88 total cpu time spent up to now is 251.4 secs Computing kpt #: 89 total cpu time spent up to now is 253.2 secs Computing kpt #: 90 total cpu time spent up to now is 255.1 secs Computing kpt #: 91 total cpu time spent up to now is 256.9 secs Computing kpt #: 92 total cpu time spent up to now is 258.8 secs Computing kpt #: 93 total cpu time spent up to now is 260.7 secs Computing kpt #: 94 total cpu time spent up to now is 262.4 secs Computing kpt #: 95 total cpu time spent up to now is 264.2 secs Computing kpt #: 96 total cpu time spent up to now is 266.6 secs Computing kpt #: 97 total cpu time spent up to now is 268.5 secs Computing kpt #: 98 total cpu time spent up to now is 270.3 secs Computing kpt #: 99 total cpu time spent up to now is 272.1 secs Computing kpt #: 100 total cpu time spent up to now is 273.8 secs Computing kpt #: 101 total cpu time spent up to now is 275.8 secs Computing kpt #: 102 total cpu time spent up to now is 277.8 secs Computing kpt #: 103 total cpu time spent up to now is 279.6 secs Computing kpt #: 104 total cpu time spent up to now is 281.6 secs Computing kpt #: 105 total cpu time spent up to now is 283.5 secs Computing kpt #: 106 total cpu time spent up to now is 285.4 secs Computing kpt #: 107 total cpu time spent up to now is 287.3 secs Computing kpt #: 108 total cpu time spent up to now is 289.3 secs Computing kpt #: 109 total cpu time spent up to now is 291.2 secs Computing kpt #: 110 total cpu time spent up to now is 293.1 secs Computing kpt #: 111 total cpu time spent up to now is 294.9 secs Computing kpt #: 112 total cpu time spent up to now is 296.8 secs Computing kpt #: 113 total cpu time spent up to now is 299.0 secs Computing kpt #: 114 total cpu time spent up to now is 301.1 secs Computing kpt #: 115 total cpu time spent up to now is 303.1 secs Computing kpt #: 116 total cpu time spent up to now is 305.0 secs Computing kpt #: 117 total cpu time spent up to now is 307.1 secs Computing kpt #: 118 total cpu time spent up to now is 309.0 secs Computing kpt #: 119 total cpu time spent up to now is 310.9 secs Computing kpt #: 120 total cpu time spent up to now is 312.8 secs Computing kpt #: 121 total cpu time 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to now is 343.5 secs Computing kpt #: 137 total cpu time spent up to now is 345.3 secs Computing kpt #: 138 total cpu time spent up to now is 347.0 secs Computing kpt #: 139 total cpu time spent up to now is 348.7 secs Computing kpt #: 140 total cpu time spent up to now is 350.7 secs Computing kpt #: 141 total cpu time spent up to now is 352.5 secs Computing kpt #: 142 total cpu time spent up to now is 354.3 secs Computing kpt #: 143 total cpu time spent up to now is 356.0 secs Computing kpt #: 144 total cpu time spent up to now is 357.8 secs Computing kpt #: 145 total cpu time spent up to now is 359.6 secs Computing kpt #: 146 total cpu time spent up to now is 361.3 secs Computing kpt #: 147 total cpu time spent up to now is 363.2 secs Computing kpt #: 148 total cpu time spent up to now is 365.1 secs Computing kpt #: 149 total cpu time spent up to now is 366.9 secs Computing kpt #: 150 total cpu time spent up to now is 368.7 secs Computing kpt #: 151 total cpu time spent up to now is 370.5 secs Computing kpt #: 152 total cpu time spent up to now is 372.8 secs Computing kpt #: 153 total cpu time spent up to now is 374.7 secs Computing kpt #: 154 total cpu time spent up to now is 376.9 secs Computing kpt #: 155 total cpu time spent up to now is 378.7 secs Computing kpt #: 156 total cpu time spent up to now is 380.6 secs Computing kpt #: 157 total cpu time spent up to now is 382.4 secs Computing kpt #: 158 total cpu time spent up to now is 384.3 secs Computing kpt #: 159 total cpu time spent up to now is 386.2 secs Computing kpt #: 160 total cpu time spent up to now is 388.0 secs Computing kpt #: 161 total cpu time spent up to now is 389.9 secs Computing kpt #: 162 total cpu time spent up to now is 391.7 secs Computing kpt #: 163 total cpu time spent up to now is 393.6 secs Computing kpt #: 164 total cpu time spent up to now is 395.4 secs Computing kpt #: 165 total cpu time spent up to now is 397.2 secs Computing kpt #: 166 total cpu time spent up to now is 399.1 secs Computing kpt #: 167 total cpu time spent up to now is 400.9 secs Computing kpt #: 168 total cpu time spent up to now is 402.6 secs Computing kpt #: 169 total cpu time spent up to now is 404.3 secs Computing kpt #: 170 total cpu time spent up to now is 406.4 secs Computing kpt #: 171 total cpu time spent up to now is 408.2 secs Computing kpt #: 172 total cpu time spent up to now is 409.9 secs Computing kpt #: 173 total cpu time spent up to now is 411.5 secs Computing kpt #: 174 total cpu time spent up to now is 413.5 secs Computing kpt #: 175 total cpu time spent up to now is 415.2 secs Computing kpt #: 176 total cpu time spent up to now is 417.0 secs Computing kpt #: 177 total cpu time spent up to now is 418.9 secs Computing kpt #: 178 total cpu time spent up to now is 420.5 secs Computing kpt #: 179 total cpu time spent up to now is 422.1 secs Computing kpt #: 180 total cpu time spent up to now is 423.7 secs Computing kpt #: 181 total cpu time spent up to now is 425.7 secs Computing kpt #: 182 total cpu time spent up to now is 427.3 secs Computing kpt #: 183 total cpu time spent up to now is 428.9 secs Computing kpt #: 184 total cpu time spent up to now is 430.6 secs Computing kpt #: 185 total cpu time spent up to now is 432.2 secs Computing kpt #: 186 total cpu time spent up to now is 433.9 secs Computing kpt #: 187 total cpu time spent up to now is 435.6 secs Computing kpt #: 188 total cpu time spent up to now is 437.3 secs Computing kpt #: 189 total cpu time spent up to now is 439.0 secs Computing kpt #: 190 total cpu time spent up to now is 440.9 secs Computing kpt #: 191 total cpu time spent up to now is 442.7 secs Computing kpt #: 192 total cpu time spent up to now is 444.4 secs Computing kpt #: 193 total cpu time spent up to now is 446.6 secs Computing kpt #: 194 total cpu time spent up to now is 448.3 secs Computing kpt #: 195 total cpu time spent up to now is 450.0 secs Computing kpt #: 196 total cpu time spent up to now is 452.1 secs Computing kpt #: 197 total cpu time spent up to now is 453.8 secs Computing kpt #: 198 total cpu time spent up to now is 455.5 secs Computing kpt #: 199 total cpu time spent up to now is 457.5 secs Computing kpt #: 200 total cpu time spent up to now is 459.2 secs Computing kpt #: 201 total cpu time spent up to now is 461.1 secs Computing kpt #: 202 total cpu time spent up to now is 462.8 secs Computing kpt #: 203 total cpu time spent up to now is 464.6 secs Computing kpt #: 204 total cpu time spent up to now is 466.5 secs Computing kpt #: 205 total cpu time spent up to now is 468.2 secs Computing kpt #: 206 total cpu time spent up to now is 469.9 secs Computing kpt #: 207 total cpu time spent up to now is 471.9 secs Computing kpt #: 208 total cpu time spent up to now is 473.6 secs Computing kpt #: 209 total cpu time spent up to now is 475.3 secs Computing kpt #: 210 total cpu time spent up to now is 477.0 secs Computing kpt #: 211 total cpu time spent up to now is 478.9 secs Computing kpt #: 212 total cpu time spent up to now is 481.4 secs Computing kpt #: 213 total cpu time spent up to now is 483.1 secs Computing kpt #: 214 total cpu time spent up to now is 484.7 secs Computing kpt #: 215 total cpu time spent up to now is 486.4 secs Computing kpt #: 216 total cpu time spent up to now is 488.0 secs Computing kpt #: 217 total cpu time spent up to now is 489.6 secs Computing kpt #: 218 total cpu time spent up to now is 491.3 secs Computing kpt #: 219 total cpu time spent up to now is 493.0 secs Computing kpt #: 220 total cpu time spent up to now is 494.6 secs Computing kpt #: 221 total cpu time spent up to now is 496.3 secs Computing kpt #: 222 total cpu time spent up to now is 497.9 secs Computing kpt #: 223 total cpu time spent up to now is 499.5 secs Computing kpt #: 224 total cpu time spent up to now is 501.2 secs Computing kpt #: 225 total cpu time spent up to now is 502.9 secs Computing kpt #: 226 total cpu time spent up to now is 504.5 secs Computing kpt #: 227 total cpu time spent up to now is 506.0 secs Computing kpt #: 228 total cpu time spent up to now is 507.9 secs Computing kpt #: 229 total cpu time spent up to now is 509.6 secs Computing kpt #: 230 total cpu time spent up to now is 511.2 secs Computing kpt #: 231 total cpu time spent up to now is 513.3 secs Computing kpt #: 232 total cpu time spent up to now is 515.0 secs Computing kpt #: 233 total cpu time spent up to now is 516.6 secs Computing kpt #: 234 total cpu time spent up to now is 518.3 secs Computing kpt #: 235 total cpu time spent up to now is 520.1 secs Computing kpt #: 236 total cpu time spent up to now is 521.8 secs Computing kpt #: 237 total cpu time spent up to now is 523.5 secs Computing kpt #: 238 total cpu time spent up to now is 525.3 secs Computing kpt #: 239 total cpu time spent up to now is 527.0 secs Computing kpt #: 240 total cpu time spent up to now is 528.7 secs Computing kpt #: 241 total cpu time spent up to now is 530.4 secs Computing kpt #: 242 total cpu time spent up to now is 532.2 secs Computing kpt #: 243 total cpu time spent up to now is 533.9 secs Computing kpt #: 244 total cpu time spent up to now is 535.7 secs Computing kpt #: 245 total cpu time spent up to now is 537.4 secs Computing kpt #: 246 total cpu time spent up to now is 539.2 secs Computing kpt #: 247 total cpu time spent up to now is 540.9 secs Computing kpt #: 248 total cpu time spent up to now is 542.7 secs Computing kpt #: 249 total cpu time spent up to now is 544.5 secs Computing kpt #: 250 total cpu time spent up to now is 546.4 secs Computing kpt #: 251 total cpu time spent up to now is 548.2 secs Computing kpt #: 252 total cpu time spent up to now is 550.1 secs Computing kpt #: 253 total cpu time spent up to now is 551.8 secs Computing kpt #: 254 total cpu time spent up to now is 553.6 secs Computing kpt #: 255 total cpu time spent up to now is 555.6 secs Computing kpt #: 256 total cpu time spent up to now is 557.4 secs Computing kpt #: 257 total cpu time spent up to now is 559.2 secs Computing kpt #: 258 total cpu time spent up to now is 561.1 secs Computing kpt #: 259 total cpu time spent up to now is 563.2 secs Computing kpt #: 260 total cpu time spent up to now is 565.1 secs Computing kpt #: 261 total cpu time spent up to now is 566.9 secs Computing kpt #: 262 total cpu time spent up to now is 569.8 secs Computing kpt #: 263 total cpu time spent up to now is 571.7 secs Computing kpt #: 264 total cpu time spent up to now is 573.8 secs Computing kpt #: 265 total cpu time spent up to now is 575.8 secs Computing kpt #: 266 total cpu time spent up to now is 577.7 secs Computing kpt #: 267 total cpu time spent up to now is 579.6 secs Computing kpt #: 268 total cpu time spent up to now is 581.7 secs Computing kpt #: 269 total cpu time spent up to now is 583.8 secs Computing kpt #: 270 total cpu time spent up to now is 586.5 secs Computing kpt #: 271 total cpu time spent up to now is 588.6 secs Computing kpt #: 272 total cpu time spent up to now is 590.8 secs Computing kpt #: 273 total cpu time spent up to now is 592.7 secs Computing kpt #: 274 total cpu time spent up to now is 594.6 secs Computing kpt #: 275 total cpu time spent up to now is 596.4 secs Computing kpt #: 276 total cpu time spent up to now is 598.5 secs Computing kpt #: 277 total cpu time spent up to now is 600.3 secs Computing kpt #: 278 total cpu time spent up to now is 602.0 secs Computing kpt #: 279 total cpu time spent up to now is 603.8 secs Computing kpt #: 280 total cpu time spent up to now is 605.6 secs Computing kpt #: 281 total cpu time spent up to now is 607.3 secs Computing kpt #: 282 total cpu time spent up to now is 609.1 secs Computing kpt #: 283 total cpu time spent up to now is 610.9 secs Computing kpt #: 284 total cpu time spent up to now is 612.6 secs Computing kpt #: 285 total cpu time spent up to now is 614.3 secs Computing kpt #: 286 total cpu time spent up to now is 616.1 secs Computing kpt #: 287 total cpu time spent up to now is 618.0 secs Computing kpt #: 288 total cpu time spent up to now is 619.9 secs Computing kpt #: 289 total cpu time spent up to now is 621.9 secs Computing kpt #: 290 total cpu time spent up to now is 623.6 secs Computing kpt #: 291 total cpu time spent up to now is 625.4 secs Computing kpt #: 292 total cpu time spent up to now is 627.4 secs Computing kpt #: 293 total cpu time spent up to now is 629.1 secs Computing kpt #: 294 total cpu time spent up to now is 630.9 secs Computing kpt #: 295 total cpu time spent up to now is 633.2 secs Computing kpt #: 296 total cpu time spent up to now is 634.9 secs Computing kpt #: 297 total cpu time spent up to now is 636.8 secs Computing kpt #: 298 total cpu time spent up to now is 638.8 secs Computing kpt #: 299 total cpu time spent up to now is 640.5 secs Computing kpt #: 300 total cpu time spent up to now is 642.4 secs Computing kpt #: 301 total cpu time spent up to now is 645.0 secs Computing kpt #: 302 total cpu time spent up to now is 646.9 secs Computing kpt #: 303 total cpu time spent up to now is 648.6 secs Computing kpt #: 304 total cpu time spent up to now is 650.3 secs Computing kpt #: 305 total cpu time spent up to now is 652.2 secs Computing kpt #: 306 total cpu time spent up to now is 654.0 secs Computing kpt #: 307 total cpu time spent up to now is 655.8 secs Computing kpt #: 308 total cpu time spent up to now is 657.7 secs Computing kpt #: 309 total cpu time spent up to now is 659.4 secs Computing kpt #: 310 total cpu time spent up to now is 661.1 secs Computing kpt #: 311 total cpu time spent up to now is 663.0 secs Computing kpt #: 312 total cpu time spent up to now is 664.8 secs Computing kpt #: 313 total cpu time spent up to now is 666.9 secs Computing kpt #: 314 total cpu time spent up to now is 668.6 secs Computing kpt #: 315 total cpu time spent up to now is 670.3 secs Computing kpt #: 316 total cpu time spent up to now is 672.1 secs Computing kpt #: 317 total cpu time spent up to now is 673.8 secs Computing kpt #: 318 total cpu time spent up to now is 675.4 secs Computing kpt #: 319 total cpu time spent up to now is 677.1 secs Computing kpt #: 320 total cpu time spent up to now is 679.0 secs Computing kpt #: 321 total cpu time spent up to now is 680.8 secs Computing kpt #: 322 total cpu time spent up to now is 682.5 secs Computing kpt #: 323 total cpu time spent up to now is 684.3 secs Computing kpt #: 324 total cpu time spent up to now is 686.0 secs Computing kpt #: 325 total cpu time spent up to now is 687.9 secs Computing kpt #: 326 total cpu time spent up to now is 689.6 secs Computing kpt #: 327 total cpu time spent up to now is 691.4 secs Computing kpt #: 328 total cpu time spent up to now is 693.2 secs Computing kpt #: 329 total cpu time spent up to now is 695.4 secs Computing kpt #: 330 total cpu time spent up to now is 697.2 secs Computing kpt #: 331 total cpu time spent up to now is 698.9 secs Computing kpt #: 332 total cpu time spent up to now is 700.6 secs Computing kpt #: 333 total cpu time spent up to now is 702.3 secs Computing kpt #: 334 total cpu time spent up to now is 704.0 secs Computing kpt #: 335 total cpu time spent up to now is 705.7 secs Computing kpt #: 336 total cpu time spent up to now is 707.7 secs Computing kpt #: 337 total cpu time spent up to now is 709.9 secs Computing kpt #: 338 total cpu time spent up to now is 711.6 secs Computing kpt #: 339 total cpu time spent up to now is 713.3 secs Computing kpt #: 340 total cpu time spent up to now is 715.0 secs Computing kpt #: 341 total cpu time spent up to now is 717.1 secs Computing kpt #: 342 total cpu time spent up to now is 718.8 secs Computing kpt #: 343 total cpu time spent up to now is 720.5 secs Computing kpt #: 344 total cpu time spent up to now is 722.3 secs Computing kpt #: 345 total cpu time spent up to now is 724.0 secs Computing kpt #: 346 total cpu time spent up to now is 726.3 secs Computing kpt #: 347 total cpu time spent up to now is 728.1 secs Computing kpt #: 348 total cpu time spent up to now is 729.7 secs Computing kpt #: 349 total cpu time spent up to now is 731.5 secs Computing kpt #: 350 total cpu time spent up to now is 733.3 secs Computing kpt #: 351 total cpu time spent up to now is 735.0 secs Computing kpt #: 352 total cpu time spent up to now is 737.6 secs Computing kpt #: 353 total cpu time spent up to now is 739.3 secs Computing kpt #: 354 total cpu time spent up to now is 741.1 secs Computing kpt #: 355 total cpu time spent up to now is 742.8 secs Computing kpt #: 356 total cpu time spent up to now is 744.5 secs Computing kpt #: 357 total cpu time spent up to now is 746.3 secs Computing kpt #: 358 total cpu time spent up to now is 748.2 secs Computing kpt #: 359 total cpu time spent up to now is 750.4 secs Computing kpt #: 360 total cpu time spent up to now is 752.3 secs Computing kpt #: 361 total cpu time spent up to now is 754.1 secs Computing kpt #: 362 total cpu time spent up to now is 756.1 secs Computing kpt #: 363 total cpu time spent up to now is 758.2 secs Computing kpt #: 364 total cpu time spent up to now is 759.8 secs Computing kpt #: 365 total cpu time spent up to now is 761.7 secs Computing kpt #: 366 total cpu time spent up to now is 763.3 secs Computing kpt #: 367 total cpu time spent up to now is 764.9 secs Computing kpt #: 368 total cpu time spent up to now is 766.5 secs Computing kpt #: 369 total cpu time spent up to now is 768.3 secs Computing kpt #: 370 total cpu time spent up to now is 770.2 secs Computing kpt #: 371 total cpu time spent up to now is 771.8 secs Computing kpt #: 372 total cpu time spent up to now is 773.7 secs Computing kpt #: 373 total cpu time spent up to now is 775.3 secs Computing kpt #: 374 total cpu time spent up to now is 776.9 secs Computing kpt #: 375 total cpu time spent up to now is 778.5 secs Computing kpt #: 376 total cpu time spent up to now is 780.1 secs Computing kpt #: 377 total cpu time spent up to now is 781.8 secs Computing kpt #: 378 total cpu time spent up to now is 783.4 secs Computing kpt #: 379 total cpu time spent up to now is 785.1 secs Computing kpt #: 380 total cpu time spent up to now is 786.7 secs Computing kpt #: 381 total cpu time spent up to now is 788.4 secs Computing kpt #: 382 total cpu time spent up to now is 790.0 secs Computing kpt #: 383 total cpu time spent up to now is 791.7 secs Computing kpt #: 384 total cpu time spent up to now is 793.5 secs Computing kpt #: 385 total cpu time spent up to now is 795.1 secs Computing kpt #: 386 total cpu time spent up to now is 796.8 secs Computing kpt #: 387 total cpu time spent up to now is 798.5 secs Computing kpt #: 388 total cpu time spent up to now is 800.2 secs Computing kpt #: 389 total cpu time spent up to now is 801.9 secs Computing kpt #: 390 total cpu time spent up to now is 803.5 secs Computing kpt #: 391 total cpu time spent up to now is 805.6 secs Computing kpt #: 392 total cpu time spent up to now is 807.8 secs Computing kpt #: 393 total cpu time spent up to now is 809.5 secs Computing kpt #: 394 total cpu time spent up to now is 811.1 secs Computing kpt #: 395 total cpu time spent up to now is 812.7 secs Computing kpt #: 396 total cpu time spent up to now is 814.5 secs Computing kpt #: 397 total cpu time spent up to now is 816.2 secs Computing kpt #: 398 total cpu time spent up to now is 818.2 secs Computing kpt #: 399 total cpu time spent up to now is 819.8 secs Computing kpt #: 400 total cpu time spent up to now is 821.5 secs Computing kpt #: 401 total cpu time spent up to now is 823.3 secs Computing kpt #: 402 total cpu time spent up to now is 825.2 secs ethr = 2.27E-11, avg # of iterations = 31.9 total cpu time spent up to now is 825.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3021 -11.3021 -10.2613 -10.2613 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1573 1.1573 1.4659 1.4659 1.6879 1.6879 2.1832 2.1832 3.4466 3.4466 3.5803 3.5803 3.6457 3.6457 3.8289 3.8289 3.9162 3.9162 5.1451 5.1451 5.5539 5.5539 7.6430 7.6430 8.3695 8.3695 10.4610 10.4610 k = 0.0125 0.0132-0.0000 ( 5417 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3018 -11.3018 -10.2614 -10.2614 -9.6305 -9.6305 -9.3023 -9.3023 -1.3443 -1.3443 -0.7025 -0.7025 -0.2176 -0.2176 -0.0811 -0.0811 1.1558 1.1558 1.4662 1.4662 1.6886 1.6886 2.1831 2.1831 3.4428 3.4428 3.5751 3.5751 3.6489 3.6489 3.8290 3.8290 3.9154 3.9154 5.1458 5.1458 5.5536 5.5536 7.6430 7.6430 8.3719 8.3719 10.4657 10.4657 k = 0.0251 0.0263-0.0000 ( 5421 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3010 -11.3010 -10.2617 -10.2617 -9.6298 -9.6298 -9.3044 -9.3044 -1.3408 -1.3408 -0.7025 -0.7025 -0.2143 -0.2143 -0.0783 -0.0783 1.1511 1.1511 1.4671 1.4671 1.6908 1.6908 2.1827 2.1827 3.4315 3.4315 3.5620 3.5620 3.6563 3.6563 3.8294 3.8294 3.9132 3.9132 5.1478 5.1478 5.5529 5.5529 7.6429 7.6429 8.3787 8.3787 10.4800 10.4800 k = 0.0376 0.0395-0.0000 ( 5433 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2996 -11.2996 -10.2622 -10.2622 -9.6286 -9.6286 -9.3079 -9.3079 -1.3350 -1.3350 -0.7025 -0.7025 -0.2088 -0.2088 -0.0737 -0.0737 1.1433 1.1433 1.4685 1.4685 1.6943 1.6943 2.1821 2.1821 3.4127 3.4127 3.5443 3.5443 3.6647 3.6647 3.8300 3.8300 3.9095 3.9095 5.1512 5.1512 5.5517 5.5517 7.6428 7.6428 8.3898 8.3898 10.5037 10.5037 k = 0.0502 0.0527-0.0000 ( 5425 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2977 -11.2977 -10.2629 -10.2629 -9.6270 -9.6270 -9.3126 -9.3126 -1.3271 -1.3271 -0.7024 -0.7024 -0.2011 -0.2011 -0.0672 -0.0672 1.1325 1.1325 1.4704 1.4704 1.6994 1.6994 2.1812 2.1812 3.3866 3.3866 3.5238 3.5238 3.6728 3.6728 3.8309 3.8309 3.9044 3.9044 5.1558 5.1558 5.5503 5.5503 7.6426 7.6426 8.4044 8.4044 10.5370 10.5370 k = 0.0627 0.0659-0.0000 ( 5439 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2953 -11.2953 -10.2637 -10.2637 -9.6249 -9.6249 -9.3187 -9.3187 -1.3173 -1.3173 -0.7024 -0.7024 -0.1913 -0.1913 -0.0588 -0.0588 1.1188 1.1188 1.4730 1.4730 1.7059 1.7059 2.1801 2.1801 3.3538 3.3538 3.5010 3.5010 3.6798 3.6798 3.8320 3.8320 3.8979 3.8979 5.1616 5.1616 5.5486 5.5486 7.6423 7.6423 8.4219 8.4219 10.5798 10.5798 k = 0.0753 0.0790-0.0000 ( 5431 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2924 -11.2924 -10.2648 -10.2648 -9.6225 -9.6225 -9.3259 -9.3259 -1.3057 -1.3057 -0.7023 -0.7023 -0.1793 -0.1793 -0.0485 -0.0485 1.1023 1.1023 1.4760 1.4760 1.7139 1.7139 2.1789 2.1789 3.3151 3.3151 3.4760 3.4760 3.6858 3.6858 3.8333 3.8333 3.8900 3.8900 5.1684 5.1684 5.5469 5.5469 7.6420 7.6420 8.4412 8.4412 10.6318 10.6318 k = 0.0878 0.0922-0.0000 ( 5427 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2890 -11.2890 -10.2660 -10.2660 -9.6197 -9.6197 -9.3341 -9.3341 -1.2926 -1.2926 -0.7023 -0.7023 -0.1653 -0.1653 -0.0363 -0.0363 1.0832 1.0832 1.4797 1.4797 1.7234 1.7234 2.1775 2.1775 3.2716 3.2716 3.4488 3.4488 3.6907 3.6907 3.8348 3.8348 3.8808 3.8808 5.1761 5.1761 5.5454 5.5454 7.6416 7.6416 8.4615 8.4615 10.6931 10.6931 k = 0.1004 0.1054-0.0000 ( 5435 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2852 -11.2852 -10.2674 -10.2674 -9.6166 -9.6166 -9.3434 -9.3434 -1.2783 -1.2783 -0.7023 -0.7023 -0.1495 -0.1495 -0.0222 -0.0222 1.0617 1.0617 1.4838 1.4838 1.7344 1.7344 2.1759 2.1759 3.2241 3.2241 3.4192 3.4192 3.6946 3.6946 3.8362 3.8362 3.8704 3.8704 5.1845 5.1845 5.5442 5.5442 7.6411 7.6411 8.4817 8.4817 10.7631 10.7631 k = 0.1129 0.1186-0.0000 ( 5435 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2809 -11.2809 -10.2689 -10.2689 -9.6133 -9.6133 -9.3534 -9.3534 -1.2631 -1.2631 -0.7023 -0.7023 -0.1320 -0.1320 -0.0062 -0.0062 1.0382 1.0382 1.4884 1.4884 1.7468 1.7468 2.1741 2.1741 3.1738 3.1738 3.3872 3.3872 3.6976 3.6976 3.8374 3.8374 3.8591 3.8591 5.1934 5.1934 5.5438 5.5438 7.6406 7.6406 8.5010 8.5010 10.8416 10.8416 k = 0.1255 0.1317-0.0000 ( 5431 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2762 -11.2762 -10.2706 -10.2706 -9.6099 -9.6099 -9.3641 -9.3641 -1.2472 -1.2472 -0.7023 -0.7023 -0.1131 -0.1131 0.0118 0.0118 1.0133 1.0133 1.4934 1.4934 1.7608 1.7608 2.1723 2.1723 3.1214 3.1214 3.3527 3.3527 3.6996 3.6996 3.8375 3.8375 3.8478 3.8478 5.2027 5.2027 5.5443 5.5443 7.6400 7.6400 8.5184 8.5184 10.9278 10.9278 k = 0.1380 0.1449-0.0000 ( 5441 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2711 -11.2711 -10.2724 -10.2724 -9.6064 -9.6064 -9.3753 -9.3753 -1.2310 -1.2310 -0.7023 -0.7023 -0.0930 -0.0930 0.0316 0.0316 0.9873 0.9873 1.4988 1.4988 1.7762 1.7762 2.1703 2.1703 3.0680 3.0680 3.3157 3.3157 3.7006 3.7006 3.8311 3.8311 3.8420 3.8420 5.2120 5.2120 5.5460 5.5460 7.6392 7.6392 8.5330 8.5330 11.0209 11.0209 k = 0.1505 0.1581-0.0000 ( 5445 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2658 -11.2658 -10.2744 -10.2744 -9.6032 -9.6032 -9.3866 -9.3866 -1.2147 -1.2147 -0.7024 -0.7024 -0.0723 -0.0723 0.0529 0.0529 0.9612 0.9612 1.5046 1.5046 1.7929 1.7929 2.1683 2.1683 3.0144 3.0144 3.2766 3.2766 3.7006 3.7006 3.8185 3.8185 3.8414 3.8414 5.2212 5.2212 5.5491 5.5491 7.6385 7.6385 8.5444 8.5444 11.1199 11.1199 k = 0.1631 0.1713-0.0000 ( 5438 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2601 -11.2601 -10.2764 -10.2764 -9.6002 -9.6002 -9.3979 -9.3979 -1.1986 -1.1986 -0.7025 -0.7025 -0.0513 -0.0513 0.0756 0.0756 0.9357 0.9357 1.5107 1.5107 1.8110 1.8110 2.1662 2.1662 2.9613 2.9613 3.2354 3.2354 3.6992 3.6992 3.8053 3.8053 3.8410 3.8410 5.2302 5.2302 5.5538 5.5538 7.6376 7.6376 8.5518 8.5518 11.2236 11.2236 k = 0.1756 0.1844-0.0000 ( 5436 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2541 -11.2541 -10.2786 -10.2786 -9.5979 -9.5979 -9.4088 -9.4088 -1.1829 -1.1829 -0.7026 -0.7026 -0.0307 -0.0307 0.0990 0.0990 0.9119 0.9119 1.5171 1.5171 1.8303 1.8303 2.1642 2.1642 2.9094 2.9094 3.1922 3.1922 3.6960 3.6960 3.7924 3.7924 3.8399 3.8399 5.2389 5.2389 5.5604 5.5604 7.6368 7.6368 8.5549 8.5549 11.3306 11.3306 k = 0.1882 0.1976-0.0000 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2479 -11.2479 -10.2808 -10.2808 -9.5965 -9.5965 -9.4190 -9.4190 -1.1679 -1.1679 -0.7028 -0.7028 -0.0111 -0.0111 0.1227 0.1227 0.8912 0.8912 1.5237 1.5237 1.8506 1.8506 2.1621 2.1621 2.8596 2.8596 3.1475 3.1475 3.6906 3.6906 3.7808 3.7808 3.8380 3.8380 5.2472 5.2472 5.5688 5.5688 7.6358 7.6358 8.5532 8.5532 11.4393 11.4393 k = 0.2007 0.2108-0.0000 ( 5448 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2416 -11.2416 -10.2831 -10.2831 -9.5963 -9.5963 -9.4279 -9.4279 -1.1537 -1.1537 -0.7030 -0.7030 0.0066 0.0066 0.1461 0.1461 0.8750 0.8750 1.5304 1.5304 1.8719 1.8719 2.1600 2.1600 2.8123 2.8123 3.1014 3.1014 3.6823 3.6823 3.7710 3.7710 3.8351 3.8351 5.2551 5.2551 5.5790 5.5790 7.6348 7.6348 8.5465 8.5465 11.5477 11.5477 k = 0.2133 0.2240-0.0000 ( 5452 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2351 -11.2351 -10.2855 -10.2855 -9.5977 -9.5977 -9.4352 -9.4352 -1.1404 -1.1404 -0.7032 -0.7032 0.0212 0.0212 0.1688 0.1688 0.8645 0.8645 1.5374 1.5374 1.8939 1.8939 2.1580 2.1580 2.7683 2.7683 3.0543 3.0543 3.6708 3.6708 3.7635 3.7635 3.8312 3.8312 5.2626 5.2626 5.5910 5.5910 7.6338 7.6338 8.5347 8.5347 11.6539 11.6539 k = 0.2258 0.2371-0.0000 ( 5448 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2285 -11.2285 -10.2879 -10.2879 -9.6010 -9.6010 -9.4405 -9.4405 -1.1281 -1.1281 -0.7035 -0.7035 0.0314 0.0314 0.1910 0.1910 0.8611 0.8611 1.5445 1.5445 1.9163 1.9163 2.1560 2.1560 2.7280 2.7280 3.0064 3.0064 3.6565 3.6565 3.7581 3.7581 3.8262 3.8262 5.2700 5.2700 5.6046 5.6046 7.6328 7.6328 8.5177 8.5177 11.7555 11.7555 k = 0.2384 0.2503-0.0000 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2218 -11.2218 -10.2903 -10.2903 -9.6062 -9.6062 -9.4437 -9.4437 -1.1170 -1.1170 -0.7039 -0.7039 0.0355 0.0355 0.2132 0.2132 0.8654 0.8654 1.5517 1.5517 1.9390 1.9390 2.1542 2.1542 2.6922 2.6922 2.9583 2.9583 3.6397 3.6397 3.7544 3.7544 3.8200 3.8200 5.2773 5.2773 5.6196 5.6196 7.6317 7.6317 8.4954 8.4954 11.8500 11.8500 k = 0.2509 0.2635-0.0000 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2151 -11.2151 -10.2927 -10.2927 -9.6134 -9.6134 -9.4448 -9.4448 -1.1070 -1.1070 -0.7043 -0.7043 0.0325 0.0325 0.2362 0.2362 0.8773 0.8773 1.5590 1.5590 1.9614 1.9614 2.1525 2.1525 2.6611 2.6611 2.9103 2.9103 3.6211 3.6211 3.7520 3.7520 3.8127 3.8127 5.2846 5.2846 5.6357 5.6357 7.6306 7.6306 8.4679 8.4679 11.9350 11.9350 k = 0.2635 0.2766-0.0000 ( 5440 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2085 -11.2085 -10.2952 -10.2952 -9.6223 -9.6223 -9.4439 -9.4439 -1.0982 -1.0982 -0.7047 -0.7047 0.0221 0.0221 0.2606 0.2606 0.8962 0.8962 1.5663 1.5663 1.9832 1.9832 2.1511 2.1511 2.6354 2.6354 2.8630 2.8630 3.6010 3.6010 3.7505 3.7505 3.8043 3.8043 5.2920 5.2920 5.6527 5.6527 7.6294 7.6294 8.4353 8.4353 12.0081 12.0081 k = 0.2760 0.2898-0.0000 ( 5440 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2019 -11.2019 -10.2976 -10.2976 -9.6324 -9.6324 -9.4413 -9.4413 -1.0906 -1.0906 -0.7052 -0.7052 0.0051 0.0051 0.2866 0.2866 0.9208 0.9208 1.5735 1.5735 2.0038 2.0038 2.1500 2.1500 2.6155 2.6155 2.8169 2.8169 3.5798 3.5798 3.7495 3.7495 3.7949 3.7949 5.2995 5.2995 5.6704 5.6704 7.6283 7.6283 8.3978 8.3978 12.0684 12.0684 k = 0.2885 0.3030-0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1955 -11.1955 -10.3000 -10.3000 -9.6435 -9.6435 -9.4375 -9.4375 -1.0841 -1.0841 -0.7058 -0.7058 -0.0175 -0.0175 0.3142 0.3142 0.9492 0.9492 1.5807 1.5807 2.0224 2.0224 2.1493 2.1493 2.6017 2.6017 2.7728 2.7728 3.5578 3.5578 3.7489 3.7489 3.7847 3.7847 5.3073 5.3073 5.6885 5.6885 7.6270 7.6270 8.3558 8.3558 12.1172 12.1172 k = 0.3011 0.3162-0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1892 -11.1892 -10.3023 -10.3023 -9.6552 -9.6552 -9.4328 -9.4328 -1.0789 -1.0789 -0.7064 -0.7064 -0.0441 -0.0441 0.3431 0.3431 0.9801 0.9801 1.5878 1.5878 2.0382 2.0382 2.1493 2.1493 2.5943 2.5943 2.7317 2.7317 3.5352 3.5352 3.7486 3.7486 3.7736 3.7736 5.3152 5.3152 5.7067 5.7067 7.6257 7.6257 8.3096 8.3096 12.1574 12.1574 k = 0.3136 0.3293-0.0000 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1831 -11.1831 -10.3045 -10.3045 -9.6671 -9.6671 -9.4273 -9.4273 -1.0747 -1.0747 -0.7071 -0.7071 -0.0734 -0.0734 0.3732 0.3732 1.0117 1.0117 1.5947 1.5947 2.0505 2.0505 2.1497 2.1497 2.5933 2.5933 2.6944 2.6944 3.5121 3.5121 3.7484 3.7484 3.7619 3.7619 5.3234 5.3234 5.7249 5.7249 7.6244 7.6244 8.2598 8.2598 12.1900 12.1900 k = 0.3262 0.3425-0.0000 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1772 -11.1772 -10.3067 -10.3067 -9.6791 -9.6791 -9.4215 -9.4215 -1.0716 -1.0716 -0.7078 -0.7078 -0.1042 -0.1042 0.4041 0.4041 1.0427 1.0427 1.6013 1.6013 2.0585 2.0585 2.1505 2.1505 2.5986 2.5986 2.6624 2.6624 3.4887 3.4887 3.7479 3.7479 3.7503 3.7503 5.3316 5.3316 5.7428 5.7428 7.6230 7.6230 8.2069 8.2069 12.2119 12.2119 k = 0.3387 0.3557-0.0000 ( 5470 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1716 -11.1716 -10.3088 -10.3088 -9.6908 -9.6908 -9.4153 -9.4153 -1.0695 -1.0695 -0.7086 -0.7086 -0.1355 -0.1355 0.4355 0.4355 1.0721 1.0721 1.6077 1.6077 2.0619 2.0619 2.1509 2.1509 2.6089 2.6089 2.6376 2.6376 3.4650 3.4650 3.7372 3.7372 3.7487 3.7487 5.3399 5.3399 5.7603 5.7603 7.6214 7.6214 8.1517 8.1517 12.2175 12.2175 k = 0.3513 0.3689-0.0000 ( 5474 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1663 -11.1663 -10.3108 -10.3108 -9.7021 -9.7021 -9.4091 -9.4091 -1.0684 -1.0684 -0.7094 -0.7094 -0.1664 -0.1664 0.4671 0.4671 1.0989 1.0989 1.6137 1.6137 2.0606 2.0606 2.1505 2.1505 2.6110 2.6110 2.6336 2.6336 3.4413 3.4413 3.7247 3.7247 3.7488 3.7488 5.3481 5.3481 5.7771 5.7771 7.6197 7.6197 8.0950 8.0950 12.2108 12.2108 k = 0.3638 0.3820-0.0000 ( 5472 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1613 -11.1613 -10.3127 -10.3127 -9.7129 -9.7129 -9.4030 -9.4030 -1.0681 -1.0681 -0.7103 -0.7103 -0.1962 -0.1962 0.4986 0.4986 1.1229 1.1229 1.6192 1.6192 2.0546 2.0546 2.1489 2.1489 2.6013 2.6013 2.6539 2.6539 3.4177 3.4177 3.7123 3.7123 3.7489 3.7489 5.3561 5.3561 5.7932 5.7932 7.6177 7.6177 8.0377 8.0377 12.1970 12.1970 k = 0.3764 0.3952-0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1567 -11.1567 -10.3144 -10.3144 -9.7231 -9.7231 -9.3970 -9.3970 -1.0686 -1.0686 -0.7111 -0.7111 -0.2243 -0.2243 0.5297 0.5297 1.1436 1.1436 1.6244 1.6244 2.0439 2.0439 2.1465 2.1465 2.5966 2.5966 2.6804 2.6804 3.3943 3.3943 3.7002 3.7002 3.7491 3.7491 5.3638 5.3638 5.8083 5.8083 7.6154 7.6154 7.9809 7.9809 12.1790 12.1790 k = 0.3889 0.4084-0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1524 -11.1524 -10.3160 -10.3160 -9.7326 -9.7326 -9.3913 -9.3913 -1.0697 -1.0697 -0.7120 -0.7120 -0.2504 -0.2504 0.5600 0.5600 1.1612 1.1612 1.6290 1.6290 2.0291 2.0291 2.1439 2.1439 2.5977 2.5977 2.7102 2.7102 3.3715 3.3715 3.6886 3.6886 3.7493 3.7493 5.3710 5.3710 5.8223 5.8223 7.6126 7.6126 7.9258 7.9258 12.1589 12.1589 k = 0.4015 0.4216-0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1485 -11.1485 -10.3175 -10.3175 -9.7412 -9.7412 -9.3860 -9.3860 -1.0714 -1.0714 -0.7129 -0.7129 -0.2741 -0.2741 0.5890 0.5890 1.1756 1.1756 1.6330 1.6330 2.0109 2.0109 2.1416 2.1416 2.6035 2.6035 2.7419 2.7419 3.3493 3.3493 3.6777 3.6777 3.7494 3.7494 5.3777 5.3777 5.8351 5.8351 7.6089 7.6089 7.8737 7.8737 12.1380 12.1380 k = 0.4140 0.4347-0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1451 -11.1451 -10.3188 -10.3188 -9.7489 -9.7489 -9.3812 -9.3812 -1.0733 -1.0733 -0.7137 -0.7137 -0.2952 -0.2952 0.6165 0.6165 1.1873 1.1873 1.6365 1.6365 1.9908 1.9908 2.1397 2.1397 2.6128 2.6128 2.7741 2.7741 3.3283 3.3283 3.6676 3.6676 3.7496 3.7496 5.3838 5.3838 5.8467 5.8467 7.6042 7.6042 7.8261 7.8261 12.1176 12.1176 k = 0.4265 0.4479-0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1421 -11.1421 -10.3199 -10.3199 -9.7557 -9.7557 -9.3769 -9.3769 -1.0754 -1.0754 -0.7145 -0.7145 -0.3135 -0.3135 0.6417 0.6417 1.1965 1.1965 1.6394 1.6394 1.9702 1.9702 2.1383 2.1383 2.6240 2.6240 2.8054 2.8054 3.3086 3.3086 3.6586 3.6586 3.7497 3.7497 5.3892 5.3892 5.8568 5.8568 7.5980 7.5980 7.7843 7.7843 12.0986 12.0986 k = 0.4391 0.4611-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1395 -11.1395 -10.3209 -10.3209 -9.7615 -9.7615 -9.3731 -9.3731 -1.0776 -1.0776 -0.7152 -0.7152 -0.3290 -0.3290 0.6642 0.6642 1.2036 1.2036 1.6416 1.6416 1.9505 1.9505 2.1372 2.1372 2.6359 2.6359 2.8344 2.8344 3.2907 3.2907 3.6507 3.6507 3.7498 3.7498 5.3938 5.3938 5.8655 5.8655 7.5899 7.5899 7.7499 7.7499 12.0816 12.0816 k = 0.4516 0.4742-0.0000 ( 5470 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1374 -11.1374 -10.3217 -10.3217 -9.7662 -9.7662 -9.3700 -9.3700 -1.0796 -1.0796 -0.7159 -0.7159 -0.3416 -0.3416 0.6836 0.6836 1.2089 1.2089 1.6433 1.6433 1.9329 1.9329 2.1365 2.1365 2.6473 2.6473 2.8599 2.8599 3.2752 3.2752 3.6442 3.6442 3.7499 3.7499 5.3976 5.3976 5.8726 5.8726 7.5800 7.5800 7.7237 7.7237 12.0672 12.0672 k = 0.4642 0.4874-0.0000 ( 5474 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1358 -11.1358 -10.3223 -10.3223 -9.7699 -9.7699 -9.3676 -9.3676 -1.0813 -1.0813 -0.7164 -0.7164 -0.3513 -0.3513 0.6991 0.6991 1.2126 1.2126 1.6444 1.6444 1.9183 1.9183 2.1360 2.1360 2.6572 2.6572 2.8808 2.8808 3.2626 3.2626 3.6390 3.6390 3.7500 3.7500 5.4005 5.4005 5.8782 5.8782 7.5695 7.5695 7.7054 7.7054 12.0557 12.0557 k = 0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1346 -11.1346 -10.3227 -10.3227 -9.7725 -9.7725 -9.3659 -9.3659 -1.0826 -1.0826 -0.7167 -0.7167 -0.3581 -0.3581 0.7104 0.7104 1.2151 1.2151 1.6451 1.6451 1.9076 1.9076 2.1358 2.1358 2.6648 2.6648 2.8962 2.8962 3.2532 3.2532 3.6353 3.6353 3.7500 3.7500 5.4026 5.4026 5.8821 5.8821 7.5603 7.5603 7.6941 7.6941 12.0475 12.0475 k = 0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1346 -11.1346 -10.3227 -10.3227 -9.7725 -9.7725 -9.3659 -9.3659 -1.0826 -1.0826 -0.7167 -0.7167 -0.3581 -0.3581 0.7104 0.7104 1.2151 1.2151 1.6451 1.6451 1.9076 1.9076 2.1358 2.1358 2.6648 2.6648 2.8962 2.8962 3.2532 3.2532 3.6353 3.6353 3.7500 3.7500 5.4026 5.4026 5.8821 5.8821 7.5603 7.5603 7.6941 7.6941 12.0475 12.0475 k = 0.4591 0.5006-0.0000 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1355 -11.1355 -10.3225 -10.3225 -9.7707 -9.7707 -9.3669 -9.3669 -1.0817 -1.0817 -0.7165 -0.7165 -0.3545 -0.3545 0.7023 0.7023 1.2137 1.2137 1.6447 1.6447 1.9155 1.9155 2.1360 2.1360 2.6596 2.6596 2.8870 2.8870 3.2596 3.2596 3.6377 3.6377 3.7500 3.7500 5.4012 5.4012 5.8792 5.8792 7.5666 7.5666 7.7014 7.7014 12.0508 12.0508 k = 0.4414 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1367 -11.1367 -10.3224 -10.3224 -9.7679 -9.7679 -9.3681 -9.3681 -1.0804 -1.0804 -0.7161 -0.7161 -0.3509 -0.3509 0.6906 0.6906 1.2119 1.2119 1.6440 1.6440 1.9273 1.9273 2.1363 2.1363 2.6526 2.6526 2.8764 2.8764 3.2686 3.2686 3.6409 3.6409 3.7499 3.7499 5.3993 5.3993 5.8748 5.8748 7.5744 7.5744 7.7127 7.7127 12.0521 12.0521 k = 0.4238 0.5006-0.0000 ( 5468 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1385 -11.1385 -10.3223 -10.3223 -9.7642 -9.7642 -9.3696 -9.3696 -1.0788 -1.0788 -0.7156 -0.7156 -0.3472 -0.3472 0.6759 0.6759 1.2093 1.2093 1.6429 1.6429 1.9422 1.9422 2.1367 2.1367 2.6443 2.6443 2.8647 2.8647 3.2797 3.2797 3.6449 3.6449 3.7499 3.7499 5.3969 5.3969 5.8688 5.8688 7.5826 7.5826 7.7284 7.7284 12.0515 12.0515 k = 0.4061 0.5006-0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1406 -11.1406 -10.3222 -10.3222 -9.7597 -9.7597 -9.3712 -9.3712 -1.0771 -1.0771 -0.7151 -0.7151 -0.3432 -0.3432 0.6588 0.6588 1.2057 1.2057 1.6415 1.6415 1.9595 1.9595 2.1373 2.1373 2.6354 2.6354 2.8526 2.8526 3.2925 3.2925 3.6498 3.6498 3.7498 3.7498 5.3940 5.3940 5.8613 5.8613 7.5906 7.5906 7.7492 7.7492 12.0493 12.0493 k = 0.3884 0.5006-0.0000 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1431 -11.1431 -10.3222 -10.3222 -9.7544 -9.7544 -9.3731 -9.3731 -1.0754 -1.0754 -0.7144 -0.7144 -0.3387 -0.3387 0.6399 0.6399 1.2006 1.2006 1.6396 1.6396 1.9778 1.9778 2.1379 2.1379 2.6266 2.6266 2.8408 2.8408 3.3065 3.3065 3.6553 3.6553 3.7498 3.7498 5.3904 5.3904 5.8523 5.8523 7.5978 7.5978 7.7752 7.7752 12.0459 12.0459 k = 0.3708 0.5006-0.0000 ( 5465 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1459 -11.1459 -10.3223 -10.3223 -9.7483 -9.7483 -9.3751 -9.3751 -1.0738 -1.0738 -0.7137 -0.7137 -0.3334 -0.3334 0.6200 0.6200 1.1939 1.1939 1.6373 1.6373 1.9960 1.9960 2.1387 2.1387 2.6185 2.6185 2.8303 2.8303 3.3213 3.3213 3.6615 3.6615 3.7497 3.7497 5.3863 5.3863 5.8418 5.8418 7.6041 7.6041 7.8061 7.8061 12.0416 12.0416 k = 0.3531 0.5006-0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1491 -11.1491 -10.3223 -10.3223 -9.7416 -9.7416 -9.3773 -9.3773 -1.0725 -1.0725 -0.7130 -0.7130 -0.3272 -0.3272 0.5996 0.5996 1.1852 1.1852 1.6346 1.6346 2.0127 2.0127 2.1397 2.1397 2.6114 2.6114 2.8221 2.8221 3.3365 3.3365 3.6684 3.6684 3.7497 3.7497 5.3816 5.3816 5.8298 5.8298 7.6095 7.6095 7.8414 7.8414 12.0368 12.0368 k = 0.3355 0.5006-0.0000 ( 5455 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1525 -11.1525 -10.3224 -10.3224 -9.7343 -9.7343 -9.3797 -9.3797 -1.0717 -1.0717 -0.7123 -0.7123 -0.3197 -0.3197 0.5792 0.5792 1.1743 1.1743 1.6315 1.6315 2.0268 2.0268 2.1406 2.1406 2.6053 2.6053 2.8178 2.8178 3.3519 3.3519 3.6759 3.6759 3.7497 3.7497 5.3762 5.3762 5.8166 5.8166 7.6142 7.6142 7.8806 7.8806 12.0319 12.0319 k = 0.3178 0.5006-0.0000 ( 5457 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1561 -11.1561 -10.3225 -10.3225 -9.7265 -9.7265 -9.3822 -9.3822 -1.0715 -1.0715 -0.7116 -0.7116 -0.3107 -0.3107 0.5591 0.5591 1.1609 1.1609 1.6282 1.6282 2.0375 2.0375 2.1416 2.1416 2.5995 2.5995 2.8190 2.8190 3.3671 3.3671 3.6838 3.6838 3.7497 3.7497 5.3702 5.3702 5.8020 5.8020 7.6184 7.6184 7.9229 7.9229 12.0272 12.0272 k = 0.3002 0.5006-0.0000 ( 5454 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1598 -11.1598 -10.3226 -10.3226 -9.7182 -9.7182 -9.3849 -9.3849 -1.0720 -1.0720 -0.7109 -0.7109 -0.3000 -0.3000 0.5396 0.5396 1.1451 1.1451 1.6247 1.6247 2.0445 2.0445 2.1423 2.1423 2.5933 2.5933 2.8268 2.8268 3.3819 3.3819 3.6920 3.6920 3.7498 3.7498 5.3636 5.3636 5.7862 5.7862 7.6223 7.6223 7.9677 7.9677 12.0231 12.0231 k = 0.2825 0.5006-0.0000 ( 5449 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1637 -11.1637 -10.3228 -10.3228 -9.7097 -9.7097 -9.3877 -9.3877 -1.0733 -1.0733 -0.7103 -0.7103 -0.2874 -0.2874 0.5210 0.5210 1.1265 1.1265 1.6211 1.6211 2.0479 2.0479 2.1426 2.1426 2.5860 2.5860 2.8423 2.8423 3.3960 3.3960 3.7006 3.7006 3.7500 3.7500 5.3564 5.3564 5.7695 5.7695 7.6258 7.6258 8.0144 8.0144 12.0197 12.0197 k = 0.2648 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1677 -11.1677 -10.3229 -10.3229 -9.7009 -9.7009 -9.3906 -9.3906 -1.0754 -1.0754 -0.7097 -0.7097 -0.2726 -0.2726 0.5035 0.5035 1.1053 1.1053 1.6175 1.6175 2.0481 2.0481 2.1425 2.1425 2.5773 2.5773 2.8652 2.8652 3.4095 3.4095 3.7091 3.7091 3.7505 3.7505 5.3485 5.3485 5.7518 5.7518 7.6292 7.6292 8.0623 8.0623 12.0172 12.0172 k = 0.2472 0.5006-0.0000 ( 5449 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1716 -11.1716 -10.3230 -10.3230 -9.6920 -9.6920 -9.3936 -9.3936 -1.0783 -1.0783 -0.7092 -0.7092 -0.2558 -0.2558 0.4872 0.4872 1.0814 1.0814 1.6138 1.6138 2.0457 2.0457 2.1420 2.1420 2.5674 2.5674 2.8947 2.8947 3.4220 3.4220 3.7174 3.7174 3.7514 3.7514 5.3400 5.3400 5.7335 5.7335 7.6325 7.6325 8.1108 8.1108 12.0155 12.0155 k = 0.2295 0.5006-0.0000 ( 5453 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1755 -11.1755 -10.3231 -10.3231 -9.6830 -9.6830 -9.3967 -9.3967 -1.0821 -1.0821 -0.7088 -0.7088 -0.2367 -0.2367 0.4721 0.4721 1.0549 1.0549 1.6102 1.6102 2.0415 2.0415 2.1411 2.1411 2.5567 2.5567 2.9296 2.9296 3.4335 3.4335 3.7249 3.7249 3.7531 3.7531 5.3310 5.3310 5.7147 5.7147 7.6356 7.6356 8.1594 8.1594 12.0145 12.0145 k = 0.2119 0.5006-0.0000 ( 5446 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1793 -11.1793 -10.3232 -10.3232 -9.6742 -9.6742 -9.3998 -9.3998 -1.0865 -1.0865 -0.7085 -0.7085 -0.2156 -0.2156 0.4583 0.4583 1.0259 1.0259 1.6068 1.6068 2.0359 2.0359 2.1400 2.1400 2.5455 2.5455 2.9685 2.9685 3.4439 3.4439 3.7309 3.7309 3.7562 3.7562 5.3214 5.3214 5.6957 5.6957 7.6387 7.6387 8.2074 8.2074 12.0137 12.0137 k = 0.1942 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1830 -11.1830 -10.3233 -10.3233 -9.6655 -9.6655 -9.4029 -9.4029 -1.0915 -1.0915 -0.7082 -0.7082 -0.1927 -0.1927 0.4459 0.4459 0.9949 0.9949 1.6035 1.6035 2.0296 2.0296 2.1388 2.1388 2.5344 2.5344 3.0099 3.0099 3.4532 3.4532 3.7349 3.7349 3.7611 3.7611 5.3115 5.3115 5.6767 5.6767 7.6416 7.6416 8.2542 8.2542 12.0121 12.0121 k = 0.1766 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1866 -11.1866 -10.3234 -10.3234 -9.6570 -9.6570 -9.4060 -9.4060 -1.0969 -1.0969 -0.7080 -0.7080 -0.1681 -0.1681 0.4348 0.4348 0.9621 0.9621 1.6005 1.6005 2.0230 2.0230 2.1375 2.1375 2.5236 2.5236 3.0528 3.0528 3.4612 3.4612 3.7370 3.7370 3.7676 3.7676 5.3012 5.3012 5.6582 5.6582 7.6444 7.6444 8.2993 8.2993 12.0081 12.0081 k = 0.1589 0.5006-0.0000 ( 5443 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1899 -11.1899 -10.3234 -10.3234 -9.6489 -9.6489 -9.4091 -9.4091 -1.1025 -1.1025 -0.7078 -0.7078 -0.1422 -0.1422 0.4252 0.4252 0.9279 0.9279 1.5976 1.5976 2.0164 2.0164 2.1363 2.1363 2.5134 2.5134 3.0959 3.0959 3.4681 3.4681 3.7378 3.7378 3.7748 3.7748 5.2907 5.2907 5.6403 5.6403 7.6470 7.6470 8.3422 8.3422 12.0004 12.0004 k = 0.1413 0.5006-0.0000 ( 5445 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1930 -11.1930 -10.3235 -10.3235 -9.6413 -9.6413 -9.4120 -9.4120 -1.1082 -1.1082 -0.7077 -0.7077 -0.1155 -0.1155 0.4170 0.4170 0.8931 0.8931 1.5951 1.5951 2.0102 2.0102 2.1350 2.1350 2.5041 2.5041 3.1382 3.1382 3.4736 3.4736 3.7378 3.7378 3.7821 3.7821 5.2802 5.2802 5.6233 5.6233 7.6495 7.6495 8.3822 8.3822 11.9885 11.9885 k = 0.1236 0.5006-0.0000 ( 5438 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1957 -11.1957 -10.3235 -10.3235 -9.6342 -9.6342 -9.4148 -9.4148 -1.1137 -1.1137 -0.7075 -0.7075 -0.0886 -0.0886 0.4101 0.4101 0.8582 0.8582 1.5927 1.5927 2.0045 2.0045 2.1339 2.1339 2.4957 2.4957 3.1788 3.1788 3.4779 3.4779 3.7374 3.7374 3.7892 3.7892 5.2699 5.2699 5.6077 5.6077 7.6518 7.6518 8.4190 8.4190 11.9737 11.9737 k = 0.1059 0.5006-0.0000 ( 5433 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.1982 -11.1982 -10.3235 -10.3235 -9.6278 -9.6278 -9.4175 -9.4175 -1.1188 -1.1188 -0.7074 -0.7074 -0.0621 -0.0621 0.4047 0.4047 0.8240 0.8240 1.5907 1.5907 1.9994 1.9994 2.1328 2.1328 2.4883 2.4883 3.2170 3.2170 3.4809 3.4809 3.7366 3.7366 3.7958 3.7958 5.2601 5.2601 5.5935 5.5935 7.6538 7.6538 8.4519 8.4519 11.9580 11.9580 k = 0.0883 0.5006-0.0000 ( 5437 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2004 -11.2004 -10.3236 -10.3236 -9.6222 -9.6222 -9.4198 -9.4198 -1.1235 -1.1235 -0.7074 -0.7074 -0.0370 -0.0370 0.4006 0.4006 0.7916 0.7916 1.5890 1.5890 1.9950 1.9950 2.1319 2.1319 2.4819 2.4819 3.2517 3.2517 3.4826 3.4826 3.7356 3.7356 3.8016 3.8016 5.2510 5.2510 5.5812 5.5812 7.6556 7.6556 8.4806 8.4806 11.9430 11.9430 k = 0.0706 0.5006-0.0000 ( 5435 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2021 -11.2021 -10.3236 -10.3236 -9.6174 -9.6174 -9.4219 -9.4219 -1.1275 -1.1275 -0.7073 -0.7073 -0.0142 -0.0142 0.3979 0.3979 0.7622 0.7622 1.5876 1.5876 1.9914 1.9914 2.1311 2.1311 2.4767 2.4767 3.2823 3.2823 3.4831 3.4831 3.7345 3.7345 3.8065 3.8065 5.2430 5.2430 5.5708 5.5708 7.6571 7.6571 8.5047 8.5047 11.9295 11.9295 k = 0.0530 0.5006-0.0000 ( 5436 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2035 -11.2035 -10.3236 -10.3236 -9.6136 -9.6136 -9.4235 -9.4235 -1.1308 -1.1308 -0.7072 -0.7072 0.0053 0.0053 0.3963 0.3963 0.7369 0.7369 1.5865 1.5865 1.9886 1.9886 2.1304 2.1304 2.4727 2.4727 3.3078 3.3078 3.4826 3.4826 3.7335 3.7335 3.8105 3.8105 5.2364 5.2364 5.5626 5.5626 7.6583 7.6583 8.5238 8.5238 11.9185 11.9185 k = 0.0353 0.5006-0.0000 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2046 -11.2046 -10.3236 -10.3236 -9.6108 -9.6108 -9.4248 -9.4248 -1.1332 -1.1332 -0.7072 -0.7072 0.0202 0.0202 0.3955 0.3955 0.7174 0.7174 1.5857 1.5857 1.9865 1.9865 2.1300 2.1300 2.4698 2.4698 3.3272 3.3272 3.4815 3.4815 3.7327 3.7327 3.8133 3.8133 5.2314 5.2314 5.5567 5.5567 7.6591 7.6591 8.5377 8.5377 11.9102 11.9102 k = 0.0177 0.5006-0.0000 ( 5453 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2052 -11.2052 -10.3236 -10.3236 -9.6091 -9.6091 -9.4255 -9.4255 -1.1347 -1.1347 -0.7072 -0.7072 0.0297 0.0297 0.3953 0.3953 0.7049 0.7049 1.5852 1.5852 1.9853 1.9853 2.1297 2.1297 2.4680 2.4680 3.3395 3.3395 3.4804 3.4804 3.7321 3.7321 3.8151 3.8151 5.2283 5.2283 5.5530 5.5530 7.6596 7.6596 8.5460 8.5460 11.9052 11.9052 k = 0.0000 0.5006-0.0000 ( 5452 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2054 -11.2054 -10.3236 -10.3236 -9.6085 -9.6085 -9.4258 -9.4258 -1.1352 -1.1352 -0.7072 -0.7072 0.0329 0.0329 0.3953 0.3953 0.7007 0.7007 1.5850 1.5850 1.9849 1.9849 2.1296 2.1296 2.4675 2.4675 3.3437 3.3437 3.4799 3.4799 3.7319 3.7319 3.8157 3.8157 5.2272 5.2272 5.5518 5.5518 7.6598 7.6598 8.5489 8.5489 11.9035 11.9035 k = 0.0000 0.5006-0.0000 ( 5452 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2054 -11.2054 -10.3236 -10.3236 -9.6085 -9.6085 -9.4258 -9.4258 -1.1352 -1.1352 -0.7072 -0.7072 0.0329 0.0329 0.3953 0.3953 0.7007 0.7007 1.5850 1.5850 1.9849 1.9849 2.1296 2.1296 2.4675 2.4675 3.3437 3.3437 3.4799 3.4799 3.7319 3.7319 3.8157 3.8157 5.2272 5.2272 5.5518 5.5518 7.6598 7.6598 8.5489 8.5489 11.9035 11.9035 k = 0.0000 0.5006 0.0179 ( 5450 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2046 -11.2046 -10.3238 -10.3238 -9.6084 -9.6084 -9.4256 -9.4256 -1.1338 -1.1338 -0.7071 -0.7071 0.0331 0.0331 0.3959 0.3959 0.7006 0.7006 1.5785 1.5785 1.9700 1.9700 2.1437 2.1437 2.4671 2.4671 3.3443 3.3443 3.4794 3.4794 3.7299 3.7299 3.8207 3.8207 5.2266 5.2266 5.5514 5.5514 7.6567 7.6567 8.5488 8.5488 11.9098 11.9098 k = 0.0000 0.5006 0.0359 ( 5444 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.2022 -11.2022 -10.3243 -10.3243 -9.6081 -9.6081 -9.4250 -9.4250 -1.1298 -1.1298 -0.7066 -0.7066 0.0339 0.0339 0.3978 0.3978 0.7003 0.7003 1.5591 1.5591 1.9357 1.9357 2.1759 2.1759 2.4663 2.4663 3.3463 3.3463 3.4778 3.4778 3.7239 3.7239 3.8353 3.8353 5.2246 5.2246 5.5501 5.5501 7.6474 7.6474 8.5487 8.5487 11.9287 11.9287 k = 0.0000 0.5006 0.0538 ( 5444 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2710 -37.2710 -11.1983 -11.1983 -10.3251 -10.3251 -9.6075 -9.6075 -9.4241 -9.4241 -1.1231 -1.1231 -0.7059 -0.7059 0.0351 0.0351 0.4009 0.4009 0.6997 0.6997 1.5274 1.5274 1.8935 1.8935 2.2142 2.2142 2.4651 2.4651 3.3496 3.3496 3.4750 3.4750 3.7143 3.7143 3.8586 3.8586 5.2214 5.2214 5.5479 5.5479 7.6323 7.6323 8.5485 8.5485 11.9599 11.9599 k = 0.0000 0.5006 0.0718 ( 5440 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4300 -37.4300 -37.2711 -37.2711 -11.1928 -11.1928 -10.3263 -10.3263 -9.6066 -9.6066 -9.4228 -9.4228 -1.1138 -1.1138 -0.7048 -0.7048 0.0368 0.0368 0.4053 0.4053 0.6987 0.6987 1.4846 1.4846 1.8484 1.8484 2.2535 2.2535 2.4643 2.4643 3.3540 3.3540 3.4710 3.4710 3.7013 3.7013 3.8897 3.8897 5.2169 5.2169 5.5450 5.5450 7.6118 7.6118 8.5481 8.5481 12.0026 12.0026 k = 0.0000 0.5006 0.0897 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4302 -37.4302 -37.2713 -37.2713 -11.1857 -11.1857 -10.3279 -10.3279 -9.6055 -9.6055 -9.4211 -9.4211 -1.1018 -1.1018 -0.7033 -0.7033 0.0390 0.0390 0.4108 0.4108 0.6970 0.6970 1.4318 1.4318 1.8023 1.8023 2.2908 2.2908 2.4650 2.4650 3.3594 3.3594 3.4655 3.4655 3.6851 3.6851 3.9270 3.9270 5.2112 5.2112 5.5413 5.5413 7.5866 7.5866 8.5476 8.5476 12.0563 12.0563 k = 0.0000 0.5006 0.1077 ( 5448 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4303 -37.4303 -37.2715 -37.2715 -11.1772 -11.1772 -10.3298 -10.3298 -9.6043 -9.6043 -9.4190 -9.4190 -1.0873 -1.0873 -0.7013 -0.7013 0.0415 0.0415 0.4174 0.4174 0.6945 0.6945 1.3704 1.3704 1.7563 1.7563 2.3233 2.3233 2.4691 2.4691 3.3656 3.3656 3.4584 3.4584 3.6661 3.6661 3.9694 3.9694 5.2044 5.2044 5.5370 5.5370 7.5574 7.5574 8.5469 8.5469 12.1195 12.1195 k = 0.0000 0.5006 0.1256 ( 5454 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4305 -37.4305 -37.2717 -37.2717 -11.1671 -11.1671 -10.3320 -10.3320 -9.6028 -9.6028 -9.4165 -9.4165 -1.0703 -1.0703 -0.6988 -0.6988 0.0445 0.0445 0.4250 0.4250 0.6908 0.6908 1.3017 1.3017 1.7112 1.7112 2.3472 2.3472 2.4802 2.4802 3.3722 3.3722 3.4497 3.4497 3.6447 3.6447 4.0153 4.0153 5.1966 5.1966 5.5321 5.5321 7.5250 7.5250 8.5461 8.5461 12.1888 12.1888 k = 0.0000 0.5006 0.1435 ( 5452 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4307 -37.4307 -37.2719 -37.2719 -11.1556 -11.1556 -10.3345 -10.3345 -9.6011 -9.6011 -9.4137 -9.4137 -1.0509 -1.0509 -0.6956 -0.6956 0.0478 0.0478 0.4335 0.4335 0.6855 0.6855 1.2271 1.2271 1.6677 1.6677 2.3597 2.3597 2.5007 2.5007 3.3786 3.3786 3.4394 3.4394 3.6214 3.6214 4.0635 4.0635 5.1880 5.1880 5.5269 5.5269 7.4903 7.4903 8.5450 8.5450 12.2432 12.2432 k = 0.0000 0.5006 0.1615 ( 5446 PWs) bands (ev): -81.1252 -81.1252 -49.5215 -49.5215 -37.4309 -37.4309 -37.2722 -37.2722 -11.1427 -11.1427 -10.3374 -10.3374 -9.5993 -9.5993 -9.4106 -9.4106 -1.0290 -1.0290 -0.6916 -0.6916 0.0513 0.0513 0.4424 0.4424 0.6784 0.6784 1.1482 1.1482 1.6264 1.6264 2.3618 2.3618 2.5293 2.5293 3.3830 3.3830 3.4287 3.4287 3.5969 3.5969 4.1128 4.1128 5.1785 5.1785 5.5213 5.5213 7.4542 7.4542 8.5437 8.5437 12.2787 12.2787 k = 0.0000 0.5006 0.1794 ( 5448 PWs) bands (ev): -81.1252 -81.1252 -49.5216 -49.5216 -37.4311 -37.4311 -37.2725 -37.2725 -11.1283 -11.1283 -10.3405 -10.3405 -9.5973 -9.5973 -9.4071 -9.4071 -1.0050 -1.0050 -0.6868 -0.6868 0.0552 0.0552 0.4514 0.4514 0.6691 0.6691 1.0665 1.0665 1.5879 1.5879 2.3566 2.3566 2.5627 2.5627 3.3806 3.3806 3.4215 3.4215 3.5718 3.5718 4.1620 4.1620 5.1685 5.1685 5.5155 5.5155 7.4175 7.4175 8.5421 8.5421 12.3137 12.3137 k = 0.0000 0.5006 0.1974 ( 5456 PWs) bands (ev): -81.1252 -81.1252 -49.5217 -49.5217 -37.4314 -37.4314 -37.2729 -37.2729 -11.1127 -11.1127 -10.3440 -10.3440 -9.5951 -9.5951 -9.4032 -9.4032 -0.9787 -0.9787 -0.6811 -0.6811 0.0592 0.0592 0.4594 0.4594 0.6573 0.6573 0.9837 0.9837 1.5525 1.5525 2.3464 2.3464 2.5982 2.5982 3.3666 3.3666 3.4222 3.4222 3.5469 3.5469 4.2103 4.2103 5.1579 5.1579 5.5095 5.5095 7.3812 7.3812 8.5401 8.5401 12.3503 12.3503 k = 0.0000 0.5006 0.2153 ( 5448 PWs) bands (ev): -81.1251 -81.1251 -49.5218 -49.5218 -37.4317 -37.4317 -37.2732 -37.2732 -11.0957 -11.0957 -10.3477 -10.3477 -9.5929 -9.5929 -9.3990 -9.3990 -0.9505 -0.9505 -0.6743 -0.6743 0.0633 0.0633 0.4647 0.4647 0.6431 0.6431 0.9022 0.9022 1.5209 1.5209 2.3326 2.3326 2.6345 2.6345 3.3434 3.3434 3.4276 3.4276 3.5227 3.5227 4.2569 4.2569 5.1471 5.1471 5.5034 5.5034 7.3460 7.3460 8.5378 8.5378 12.3886 12.3886 k = 0.0000 0.5006 0.2333 ( 5452 PWs) bands (ev): -81.1251 -81.1251 -49.5219 -49.5219 -37.4320 -37.4320 -37.2736 -37.2736 -11.0775 -11.0775 -10.3517 -10.3517 -9.5905 -9.5905 -9.3945 -9.3945 -0.9205 -0.9205 -0.6663 -0.6663 0.0674 0.0674 0.4639 0.4639 0.6269 0.6269 0.8257 0.8257 1.4932 1.4932 2.3158 2.3158 2.6706 2.6706 3.3142 3.3142 3.4343 3.4343 3.4995 3.4995 4.3011 4.3011 5.1361 5.1361 5.4972 5.4972 7.3126 7.3126 8.5352 8.5352 12.4280 12.4280 k = 0.0000 0.5006 0.2512 ( 5454 PWs) bands (ev): -81.1251 -81.1251 -49.5220 -49.5220 -37.4323 -37.4323 -37.2740 -37.2740 -11.0581 -11.0581 -10.3559 -10.3559 -9.5881 -9.5881 -9.3898 -9.3898 -0.8890 -0.8890 -0.6570 -0.6570 0.0714 0.0714 0.4512 0.4512 0.6094 0.6094 0.7597 0.7597 1.4696 1.4696 2.2962 2.2962 2.7063 2.7063 3.2804 3.2804 3.4404 3.4404 3.4779 3.4779 4.3423 4.3423 5.1251 5.1251 5.4910 5.4910 7.2818 7.2818 8.5322 8.5322 12.4678 12.4678 k = 0.0000 0.5006 0.2691 ( 5460 PWs) bands (ev): -81.1251 -81.1251 -49.5221 -49.5221 -37.4327 -37.4327 -37.2744 -37.2744 -11.0376 -11.0376 -10.3604 -10.3604 -9.5857 -9.5857 -9.3847 -9.3847 -0.8561 -0.8561 -0.6463 -0.6463 0.0752 0.0752 0.4202 0.4202 0.5899 0.5899 0.7125 0.7125 1.4503 1.4503 2.2739 2.2739 2.7411 2.7411 3.2429 3.2429 3.4407 3.4407 3.4620 3.4620 4.3802 4.3802 5.1142 5.1142 5.4848 5.4848 7.2541 7.2541 8.5288 8.5288 12.5072 12.5072 k = 0.0000 0.5006 0.2871 ( 5454 PWs) bands (ev): -81.1251 -81.1251 -49.5222 -49.5222 -37.4331 -37.4331 -37.2748 -37.2748 -11.0161 -11.0161 -10.3651 -10.3651 -9.5832 -9.5832 -9.3794 -9.3794 -0.8224 -0.8224 -0.6341 -0.6341 0.0786 0.0786 0.3694 0.3694 0.5647 0.5647 0.6902 0.6902 1.4350 1.4350 2.2492 2.2492 2.7750 2.7750 3.2026 3.2026 3.4255 3.4255 3.4610 3.4610 4.4144 4.4144 5.1036 5.1036 5.4784 5.4784 7.2300 7.2300 8.5252 8.5252 12.5450 12.5450 k = 0.0000 0.5006 0.3050 ( 5454 PWs) bands (ev): -81.1250 -81.1250 -49.5223 -49.5223 -37.4335 -37.4335 -37.2753 -37.2753 -10.9936 -10.9936 -10.3699 -10.3699 -9.5808 -9.5808 -9.3738 -9.3738 -0.7881 -0.7881 -0.6205 -0.6205 0.0808 0.0808 0.3048 0.3048 0.5332 0.5332 0.6891 0.6891 1.4235 1.4235 2.2220 2.2220 2.8078 2.8078 3.1601 3.1601 3.4039 3.4039 3.4651 3.4651 4.4449 4.4449 5.0934 5.0934 5.4719 5.4719 7.2099 7.2099 8.5213 8.5213 12.5801 12.5801 k = 0.0000 0.5006 0.3230 ( 5454 PWs) bands (ev): -81.1250 -81.1250 -49.5224 -49.5224 -37.4339 -37.4339 -37.2757 -37.2757 -10.9703 -10.9703 -10.3750 -10.3750 -9.5784 -9.5784 -9.3680 -9.3680 -0.7539 -0.7539 -0.6056 -0.6056 0.0808 0.0808 0.2349 0.2349 0.4984 0.4984 0.7005 0.7005 1.4154 1.4154 2.1925 2.1925 2.8393 2.8393 3.1161 3.1161 3.3806 3.3806 3.4690 3.4690 4.4715 4.4715 5.0835 5.0835 5.4652 5.4652 7.1942 7.1942 8.5172 8.5172 12.6113 12.6113 k = 0.0000 0.5006 0.3409 ( 5462 PWs) bands (ev): -81.1250 -81.1250 -49.5226 -49.5226 -37.4343 -37.4343 -37.2762 -37.2762 -10.9461 -10.9461 -10.3802 -10.3802 -9.5761 -9.5761 -9.3620 -9.3620 -0.7203 -0.7203 -0.5899 -0.5899 0.0736 0.0736 0.1699 0.1699 0.4620 0.4620 0.7189 0.7189 1.4101 1.4101 2.1608 2.1608 2.8696 2.8696 3.0710 3.0710 3.3560 3.3560 3.4721 3.4721 4.4942 4.4942 5.0740 5.0740 5.4582 5.4582 7.1831 7.1831 8.5130 8.5130 12.6373 12.6373 k = 0.0000 0.5006 0.3588 ( 5464 PWs) bands (ev): -81.1250 -81.1250 -49.5227 -49.5227 -37.4347 -37.4347 -37.2766 -37.2766 -10.9212 -10.9212 -10.3855 -10.3855 -9.5738 -9.5738 -9.3558 -9.3558 -0.6879 -0.6879 -0.5745 -0.5745 0.0444 0.0444 0.1288 0.1288 0.4247 0.4247 0.7417 0.7417 1.4073 1.4073 2.1272 2.1272 2.8983 2.8983 3.0255 3.0255 3.3302 3.3302 3.4738 3.4738 4.5132 4.5132 5.0650 5.0650 5.4509 5.4509 7.1766 7.1766 8.5088 8.5088 12.6571 12.6571 k = 0.0000 0.5006 0.3768 ( 5456 PWs) bands (ev): -81.1250 -81.1250 -49.5228 -49.5228 -37.4352 -37.4352 -37.2771 -37.2771 -10.8957 -10.8957 -10.3909 -10.3909 -9.5717 -9.5717 -9.3495 -9.3495 -0.6577 -0.6577 -0.5609 -0.5609 -0.0069 -0.0069 0.1154 0.1154 0.3875 0.3875 0.7676 0.7676 1.4061 1.4061 2.0918 2.0918 2.9244 2.9244 2.9809 2.9809 3.3032 3.3032 3.4741 3.4741 4.5286 4.5286 5.0563 5.0563 5.4432 5.4432 7.1750 7.1750 8.5046 8.5046 12.6700 12.6700 k = 0.0000 0.5006 0.3947 ( 5462 PWs) bands (ev): -81.1250 -81.1250 -49.5230 -49.5230 -37.4356 -37.4356 -37.2775 -37.2775 -10.8697 -10.8697 -10.3964 -10.3964 -9.5698 -9.5698 -9.3431 -9.3431 -0.6311 -0.6311 -0.5515 -0.5515 -0.0569 -0.0569 0.1105 0.1105 0.3510 0.3510 0.7958 0.7958 1.4059 1.4059 2.0551 2.0551 2.9255 2.9255 2.9599 2.9599 3.2750 3.2750 3.4728 3.4728 4.5405 4.5405 5.0478 5.0478 5.4350 5.4350 7.1779 7.1779 8.5006 8.5006 12.6758 12.6758 k = 0.0000 0.5006 0.4127 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5231 -49.5231 -37.4361 -37.4361 -37.2780 -37.2780 -10.8434 -10.8434 -10.4019 -10.4019 -9.5680 -9.5680 -9.3366 -9.3366 -0.6134 -0.6134 -0.5456 -0.5456 -0.0933 -0.0933 0.1062 0.1062 0.3164 0.3164 0.8258 0.8258 1.4060 1.4060 2.0176 2.0176 2.8834 2.8834 2.9810 2.9810 3.2458 3.2458 3.4699 3.4699 4.5493 4.5493 5.0394 5.0394 5.4265 5.4265 7.1855 7.1855 8.4969 8.4969 12.6749 12.6749 k = 0.0000 0.5006 0.4306 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5232 -49.5232 -37.4365 -37.4365 -37.2784 -37.2784 -10.8167 -10.8167 -10.4074 -10.4074 -9.5665 -9.5665 -9.3301 -9.3301 -0.6171 -0.6171 -0.5339 -0.5339 -0.1107 -0.1107 0.0997 0.0997 0.2852 0.2852 0.8575 0.8575 1.4055 1.4055 1.9799 1.9799 2.8383 2.8383 3.0039 3.0039 3.2157 3.2157 3.4654 3.4654 4.5550 4.5550 5.0311 5.0311 5.4177 5.4177 7.1974 7.1974 8.4936 8.4936 12.6679 12.6679 k = 0.0000 0.5006 0.4486 ( 5466 PWs) bands (ev): -81.1249 -81.1249 -49.5233 -49.5233 -37.4370 -37.4370 -37.2788 -37.2788 -10.7898 -10.7898 -10.4129 -10.4129 -9.5651 -9.5651 -9.3235 -9.3235 -0.6464 -0.6464 -0.5120 -0.5120 -0.1087 -0.1087 0.0889 0.0889 0.2591 0.2591 0.8904 0.8904 1.4035 1.4035 1.9429 1.9429 2.7934 2.7934 3.0257 3.0257 3.1850 3.1850 3.4592 3.4592 4.5579 4.5579 5.0227 5.0227 5.4088 5.4088 7.2134 7.2134 8.4907 8.4907 12.6560 12.6560 k = 0.0000 0.5006 0.4665 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5235 -49.5235 -37.4375 -37.4375 -37.2792 -37.2792 -10.7629 -10.7629 -10.4184 -10.4184 -9.5640 -9.5640 -9.3170 -9.3170 -0.6924 -0.6924 -0.4848 -0.4848 -0.0908 -0.0908 0.0727 0.0727 0.2393 0.2393 0.9246 0.9246 1.3989 1.3989 1.9077 1.9077 2.7490 2.7490 3.0452 3.0452 3.1548 3.1548 3.4513 3.4513 4.5580 4.5580 5.0141 5.0141 5.3998 5.3998 7.2331 7.2331 8.4884 8.4884 12.6403 12.6403 k = 0.0000 0.5006 0.4844 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5236 -49.5236 -37.4379 -37.4379 -37.2796 -37.2796 -10.7360 -10.7360 -10.4238 -10.4238 -9.5632 -9.5632 -9.3105 -9.3105 -0.7478 -0.7478 -0.4552 -0.4552 -0.0616 -0.0616 0.0510 0.0510 0.2262 0.2262 0.9597 0.9597 1.3904 1.3904 1.8753 1.8753 2.7052 2.7052 3.0600 3.0600 3.1276 3.1276 3.4420 3.4420 4.5554 4.5554 5.0053 5.0053 5.3910 5.3910 7.2562 7.2562 8.4867 8.4867 12.6220 12.6220 k = 0.0000 0.5006 0.5024 ( 5464 PWs) bands (ev): -81.1248 -81.1248 -49.5237 -49.5237 -37.4384 -37.4384 -37.2800 -37.2800 -10.7094 -10.7094 -10.4291 -10.4291 -9.5626 -9.5626 -9.3041 -9.3041 -0.8078 -0.8078 -0.4241 -0.4241 -0.0252 -0.0252 0.0254 0.0254 0.2186 0.2186 0.9956 0.9956 1.3769 1.3769 1.8470 1.8470 2.6622 2.6622 3.0602 3.0602 3.1138 3.1138 3.4313 3.4313 4.5500 4.5500 4.9963 4.9963 5.3826 5.3826 7.2823 7.2823 8.4856 8.4856 12.6021 12.6021 k = 0.0000 0.5006 0.5203 ( 5462 PWs) bands (ev): -81.1248 -81.1248 -49.5238 -49.5238 -37.4388 -37.4388 -37.2804 -37.2804 -10.6831 -10.6831 -10.4342 -10.4342 -9.5623 -9.5623 -9.2978 -9.2978 -0.8694 -0.8694 -0.3918 -0.3918 -0.0043 -0.0043 0.0177 0.0177 0.2149 0.2149 1.0321 1.0321 1.3576 1.3576 1.8239 1.8239 2.6197 2.6197 3.0392 3.0392 3.1202 3.1202 3.4193 3.4193 4.5419 4.5419 4.9871 4.9871 5.3748 5.3748 7.3110 7.3110 8.4852 8.4852 12.5815 12.5815 k = 0.0000 0.5006 0.5383 ( 5466 PWs) bands (ev): -81.1248 -81.1248 -49.5239 -49.5239 -37.4392 -37.4392 -37.2808 -37.2808 -10.6573 -10.6573 -10.4392 -10.4392 -9.5622 -9.5622 -9.2917 -9.2917 -0.9309 -0.9309 -0.3587 -0.3587 -0.0318 -0.0318 0.0606 0.0606 0.2140 0.2140 1.0688 1.0688 1.3323 1.3323 1.8064 1.8064 2.5779 2.5779 3.0107 3.0107 3.1336 3.1336 3.4063 3.4063 4.5309 4.5309 4.9781 4.9781 5.3677 5.3677 7.3416 7.3416 8.4854 8.4854 12.5609 12.5609 k = 0.0000 0.5006 0.5562 ( 5470 PWs) bands (ev): -81.1248 -81.1248 -49.5241 -49.5241 -37.4397 -37.4397 -37.2811 -37.2811 -10.6322 -10.6322 -10.4440 -10.4440 -9.5625 -9.5625 -9.2858 -9.2858 -0.9910 -0.9910 -0.3255 -0.3255 -0.0588 -0.0588 0.1052 0.1052 0.2152 0.2152 1.1048 1.1048 1.3016 1.3016 1.7945 1.7945 2.5364 2.5364 2.9811 2.9811 3.1481 3.1481 3.3924 3.3924 4.5170 4.5170 4.9693 4.9693 5.3615 5.3615 7.3738 7.3738 8.4862 8.4862 12.5408 12.5408 k = 0.0000 0.5006 0.5742 ( 5474 PWs) bands (ev): -81.1248 -81.1248 -49.5242 -49.5242 -37.4401 -37.4401 -37.2814 -37.2814 -10.6078 -10.6078 -10.4486 -10.4486 -9.5629 -9.5629 -9.2801 -9.2801 -1.0488 -1.0488 -0.2933 -0.2933 -0.0828 -0.0828 0.1490 0.1490 0.2187 0.2187 1.1375 1.1375 1.2689 1.2689 1.7878 1.7878 2.4951 2.4951 2.9523 2.9523 3.1622 3.1622 3.3780 3.3780 4.5003 4.5003 4.9609 4.9609 5.3562 5.3562 7.4069 7.4069 8.4876 8.4876 12.5217 12.5217 k = 0.0000 0.5006 0.5921 ( 5474 PWs) bands (ev): -81.1248 -81.1248 -49.5243 -49.5243 -37.4404 -37.4404 -37.2817 -37.2817 -10.5844 -10.5844 -10.4529 -10.4529 -9.5636 -9.5636 -9.2747 -9.2747 -1.1038 -1.1038 -0.2649 -0.2649 -0.1005 -0.1005 0.1864 0.1864 0.2287 0.2287 1.1557 1.1557 1.2462 1.2462 1.7854 1.7854 2.4538 2.4538 2.9251 2.9251 3.1755 3.1755 3.3633 3.3633 4.4811 4.4811 4.9532 4.9532 5.3519 5.3519 7.4405 7.4405 8.4895 8.4895 12.5038 12.5038 k = 0.0000 0.5006 0.6100 ( 5478 PWs) bands (ev): -81.1248 -81.1248 -49.5244 -49.5244 -37.4408 -37.4408 -37.2820 -37.2820 -10.5622 -10.5622 -10.4568 -10.4568 -9.5645 -9.5645 -9.2696 -9.2696 -1.1556 -1.1556 -0.2454 -0.2454 -0.1064 -0.1064 0.2056 0.2056 0.2561 0.2561 1.1374 1.1374 1.2566 1.2566 1.7861 1.7861 2.4123 2.4123 2.9002 2.9002 3.1878 3.1878 3.3486 3.3486 4.4595 4.4595 4.9464 4.9464 5.3485 5.3485 7.4740 7.4740 8.4918 8.4918 12.4874 12.4874 k = 0.0000 0.5006 0.6280 ( 5486 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4412 -37.4412 -37.2823 -37.2823 -10.5413 -10.5413 -10.4604 -10.4604 -9.5656 -9.5656 -9.2648 -9.2648 -1.2037 -1.2037 -0.2403 -0.2403 -0.0951 -0.0951 0.2124 0.2124 0.2945 0.2945 1.0952 1.0952 1.2884 1.2884 1.7893 1.7893 2.3704 2.3704 2.8780 2.8780 3.1989 3.1989 3.3341 3.3341 4.4360 4.4360 4.9404 4.9404 5.3459 5.3459 7.5068 7.5068 8.4944 8.4944 12.4725 12.4725 k = 0.0000 0.5006 0.6459 ( 5486 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4415 -37.4415 -37.2825 -37.2825 -10.5220 -10.5220 -10.4636 -10.4636 -9.5668 -9.5668 -9.2604 -9.2604 -1.2479 -1.2479 -0.2475 -0.2475 -0.0686 -0.0686 0.2162 0.2162 0.3336 0.3336 1.0454 1.0454 1.3261 1.3261 1.7940 1.7940 2.3281 2.3281 2.8587 2.8587 3.2089 3.2089 3.3203 3.3203 4.4114 4.4114 4.9355 4.9355 5.3441 5.3441 7.5385 7.5385 8.4972 8.4972 12.4593 12.4593 k = 0.0000 0.5006 0.6639 ( 5482 PWs) bands (ev): -81.1247 -81.1247 -49.5246 -49.5246 -37.4418 -37.4418 -37.2827 -37.2827 -10.5046 -10.5046 -10.4659 -10.4659 -9.5681 -9.5681 -9.2564 -9.2564 -1.2880 -1.2880 -0.2603 -0.2603 -0.0336 -0.0336 0.2190 0.2190 0.3708 0.3708 0.9928 0.9928 1.3658 1.3658 1.7995 1.7995 2.2854 2.2854 2.8424 2.8424 3.2174 3.2174 3.3075 3.3075 4.3861 4.3861 4.9314 4.9314 5.3428 5.3428 7.5686 7.5686 8.5002 8.5002 12.4477 12.4477 k = 0.0000 0.5006 0.6818 ( 5478 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4420 -37.4420 -37.2829 -37.2829 -10.4904 -10.4904 -10.4666 -10.4666 -9.5694 -9.5694 -9.2528 -9.2528 -1.3237 -1.3237 -0.2747 -0.2747 0.0054 0.0054 0.2214 0.2214 0.4053 0.4053 0.9391 0.9391 1.4061 1.4061 1.8055 1.8055 2.2428 2.2428 2.8292 2.8292 3.2244 3.2244 3.2962 3.2962 4.3612 4.3612 4.9282 4.9282 5.3421 5.3421 7.5964 7.5964 8.5032 8.5032 12.4377 12.4377 k = 0.0000 0.5006 0.6998 ( 5478 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4422 -37.4422 -37.2831 -37.2831 -10.4820 -10.4820 -10.4629 -10.4629 -9.5707 -9.5707 -9.2496 -9.2496 -1.3550 -1.3550 -0.2886 -0.2886 0.0461 0.0461 0.2234 0.2234 0.4365 0.4365 0.8857 0.8857 1.4463 1.4463 1.8113 1.8113 2.2005 2.2005 2.8187 2.8187 3.2294 3.2294 3.2868 3.2868 4.3373 4.3373 4.9257 4.9257 5.3417 5.3417 7.6215 7.6215 8.5060 8.5060 12.4294 12.4294 k = 0.0000 0.5006 0.7177 ( 5472 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4424 -37.4424 -37.2832 -37.2832 -10.4801 -10.4801 -10.4542 -10.4542 -9.5719 -9.5719 -9.2468 -9.2468 -1.3817 -1.3817 -0.3011 -0.3011 0.0868 0.0868 0.2250 0.2250 0.4641 0.4641 0.8338 0.8338 1.4855 1.4855 1.8167 1.8167 2.1595 2.1595 2.8109 2.8109 3.2323 3.2323 3.2799 3.2799 4.3153 4.3153 4.9238 4.9238 5.3416 5.3416 7.6436 7.6436 8.5086 8.5086 12.4225 12.4225 k = 0.0000 0.5006 0.7356 ( 5482 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4426 -37.4426 -37.2833 -37.2833 -10.4806 -10.4806 -10.4451 -10.4451 -9.5730 -9.5730 -9.2446 -9.2446 -1.4036 -1.4036 -0.3118 -0.3118 0.1258 0.1258 0.2263 0.2263 0.4881 0.4881 0.7845 0.7845 1.5225 1.5225 1.8213 1.8213 2.1208 2.1208 2.8051 2.8051 3.2327 3.2327 3.2759 3.2759 4.2960 4.2960 4.9224 4.9224 5.3417 5.3417 7.6622 7.6622 8.5109 8.5109 12.4170 12.4170 k = 0.0000 0.5006 0.7536 ( 5484 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4427 -37.4427 -37.2834 -37.2834 -10.4814 -10.4814 -10.4374 -10.4374 -9.5739 -9.5739 -9.2428 -9.2428 -1.4208 -1.4208 -0.3203 -0.3203 0.1611 0.1611 0.2272 0.2272 0.5084 0.5084 0.7398 0.7398 1.5559 1.5559 1.8249 1.8249 2.0863 2.0863 2.8012 2.8012 3.2315 3.2315 3.2741 3.2741 4.2802 4.2802 4.9215 4.9215 5.3418 5.3418 7.6770 7.6770 8.5128 8.5128 12.4128 12.4128 k = 0.0000 0.5006 0.7715 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4428 -37.4428 -37.2835 -37.2835 -10.4821 -10.4821 -10.4316 -10.4316 -9.5745 -9.5745 -9.2415 -9.2415 -1.4331 -1.4331 -0.3264 -0.3264 0.1904 0.1904 0.2276 0.2276 0.5250 0.5250 0.7021 0.7021 1.5832 1.5832 1.8274 1.8274 2.0583 2.0583 2.7987 2.7987 3.2297 3.2297 3.2737 3.2737 4.2684 4.2684 4.9208 4.9208 5.3419 5.3419 7.6878 7.6878 8.5142 8.5142 12.4099 12.4099 k = 0.0000 0.5006 0.7895 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4826 -10.4826 -10.4282 -10.4282 -9.5750 -9.5750 -9.2407 -9.2407 -1.4405 -1.4405 -0.3302 -0.3302 0.2109 0.2109 0.2269 0.2269 0.5370 0.5370 0.6755 0.6755 1.6016 1.6016 1.8288 1.8288 2.0396 2.0396 2.7974 2.7974 3.2283 3.2283 3.2738 3.2738 4.2611 4.2611 4.9205 4.9205 5.3420 5.3420 7.6943 7.6943 8.5150 8.5150 12.4082 12.4082 k = 0.0000 0.5006 0.8074 ( 5504 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4827 -10.4827 -10.4270 -10.4270 -9.5751 -9.5751 -9.2405 -9.2405 -1.4430 -1.4430 -0.3314 -0.3314 0.2197 0.2197 0.2252 0.2252 0.5417 0.5417 0.6656 0.6656 1.6081 1.6081 1.8292 1.8292 2.0330 2.0330 2.7969 2.7969 3.2277 3.2277 3.2739 3.2739 4.2587 4.2587 4.9204 4.9204 5.3420 5.3420 7.6965 7.6965 8.5153 8.5153 12.4076 12.4076 k = 0.0000 0.5006 0.8074 ( 5504 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4827 -10.4827 -10.4270 -10.4270 -9.5751 -9.5751 -9.2405 -9.2405 -1.4430 -1.4430 -0.3314 -0.3314 0.2197 0.2197 0.2252 0.2252 0.5417 0.5417 0.6656 0.6656 1.6081 1.6081 1.8292 1.8292 2.0330 2.0330 2.7969 2.7969 3.2277 3.2277 3.2739 3.2739 4.2587 4.2587 4.9204 4.9204 5.3420 5.3420 7.6965 7.6965 8.5153 8.5153 12.4076 12.4076 k = 0.0177 0.5006 0.8074 ( 5500 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4828 -10.4828 -10.4269 -10.4269 -9.5753 -9.5753 -9.2402 -9.2402 -1.4432 -1.4432 -0.3318 -0.3318 0.2022 0.2022 0.2402 0.2402 0.5407 0.5407 0.6655 0.6655 1.6090 1.6090 1.8317 1.8317 2.0351 2.0351 2.7964 2.7964 3.2292 3.2292 3.2740 3.2740 4.2587 4.2587 4.9205 4.9205 5.3417 5.3417 7.6964 7.6964 8.5151 8.5151 12.3958 12.3958 k = 0.0353 0.5006 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4831 -10.4831 -10.4266 -10.4266 -9.5761 -9.5761 -9.2392 -9.2392 -1.4439 -1.4439 -0.3332 -0.3332 0.1803 0.1803 0.2549 0.2549 0.5377 0.5377 0.6652 0.6652 1.6118 1.6118 1.8389 1.8389 2.0413 2.0413 2.7950 2.7950 3.2336 3.2336 3.2742 3.2742 4.2589 4.2589 4.9210 4.9210 5.3409 5.3409 7.6961 7.6961 8.5144 8.5144 12.3628 12.3628 k = 0.0530 0.5006 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4835 -10.4835 -10.4261 -10.4261 -9.5772 -9.5772 -9.2376 -9.2376 -1.4450 -1.4450 -0.3353 -0.3353 0.1569 0.1569 0.2666 0.2666 0.5327 0.5327 0.6647 0.6647 1.6164 1.6164 1.8509 1.8509 2.0513 2.0513 2.7927 2.7927 3.2407 3.2407 3.2747 3.2747 4.2592 4.2592 4.9218 4.9218 5.3394 5.3394 7.6957 7.6957 8.5133 8.5133 12.3137 12.3137 k = 0.0706 0.5006 0.8074 ( 5486 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4840 -10.4840 -10.4255 -10.4255 -9.5789 -9.5789 -9.2355 -9.2355 -1.4465 -1.4465 -0.3383 -0.3383 0.1323 0.1323 0.2751 0.2751 0.5259 0.5259 0.6642 0.6642 1.6229 1.6229 1.8672 1.8672 2.0652 2.0652 2.7896 2.7896 3.2502 3.2502 3.2755 3.2755 4.2595 4.2595 4.9228 4.9228 5.3374 5.3374 7.6952 7.6952 8.5118 8.5118 12.2535 12.2535 k = 0.0883 0.5006 0.8074 ( 5478 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4847 -10.4847 -10.4247 -10.4247 -9.5809 -9.5809 -9.2328 -9.2328 -1.4485 -1.4485 -0.3420 -0.3420 0.1071 0.1071 0.2802 0.2802 0.5172 0.5172 0.6636 0.6636 1.6311 1.6311 1.8878 1.8878 2.0825 2.0825 2.7861 2.7861 3.2613 3.2613 3.2771 3.2771 4.2599 4.2599 4.9241 4.9241 5.3349 5.3349 7.6945 7.6945 8.5098 8.5098 12.1861 12.1861 k = 0.1059 0.5006 0.8074 ( 5476 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4854 -10.4854 -10.4238 -10.4238 -9.5833 -9.5833 -9.2295 -9.2295 -1.4509 -1.4509 -0.3465 -0.3465 0.0818 0.0818 0.2818 0.2818 0.5069 0.5069 0.6630 0.6630 1.6408 1.6408 1.9122 1.9122 2.1031 2.1031 2.7822 2.7822 3.2709 3.2709 3.2827 3.2827 4.2604 4.2604 4.9255 4.9255 5.3319 5.3319 7.6936 7.6936 8.5074 8.5074 12.1142 12.1142 k = 0.1236 0.5006 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4863 -10.4863 -10.4228 -10.4228 -9.5860 -9.5860 -9.2259 -9.2259 -1.4538 -1.4538 -0.3517 -0.3517 0.0567 0.0567 0.2802 0.2802 0.4950 0.4950 0.6625 0.6625 1.6521 1.6521 1.9400 1.9400 2.1264 2.1264 2.7782 2.7782 3.2747 3.2747 3.2960 3.2960 4.2609 4.2609 4.9269 4.9269 5.3284 5.3284 7.6927 7.6927 8.5047 8.5047 12.0396 12.0396 k = 0.1413 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4872 -10.4872 -10.4217 -10.4217 -9.5890 -9.5890 -9.2218 -9.2218 -1.4572 -1.4572 -0.3574 -0.3574 0.0322 0.0322 0.2754 0.2754 0.4818 0.4818 0.6620 0.6620 1.6645 1.6645 1.9710 1.9710 2.1522 2.1522 2.7742 2.7742 3.2766 3.2766 3.3129 3.3129 4.2613 4.2613 4.9284 4.9284 5.3246 5.3246 7.6918 7.6918 8.5016 8.5016 11.9639 11.9639 k = 0.1589 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4882 -10.4882 -10.4205 -10.4205 -9.5922 -9.5922 -9.2174 -9.2174 -1.4610 -1.4610 -0.3636 -0.3636 0.0087 0.0087 0.2676 0.2676 0.4675 0.4675 0.6616 0.6616 1.6780 1.6780 2.0047 2.0047 2.1799 2.1799 2.7705 2.7705 3.2784 3.2784 3.3314 3.3314 4.2617 4.2617 4.9297 4.9297 5.3205 5.3205 7.6908 7.6908 8.4981 8.4981 11.8880 11.8880 k = 0.1766 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4893 -10.4893 -10.4192 -10.4192 -9.5956 -9.5956 -9.2128 -9.2128 -1.4653 -1.4653 -0.3701 -0.3701 -0.0135 -0.0135 0.2573 0.2573 0.4523 0.4523 0.6612 0.6612 1.6921 1.6921 2.0407 2.0407 2.2093 2.2093 2.7672 2.7672 3.2803 3.2803 3.3510 3.3510 4.2621 4.2621 4.9309 4.9309 5.3161 5.3161 7.6897 7.6897 8.4943 8.4943 11.8130 11.8130 k = 0.1942 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4903 -10.4903 -10.4179 -10.4179 -9.5991 -9.5991 -9.2079 -9.2079 -1.4701 -1.4701 -0.3770 -0.3770 -0.0342 -0.0342 0.2446 0.2446 0.4363 0.4363 0.6610 0.6610 1.7066 1.7066 2.0785 2.0785 2.2397 2.2397 2.7645 2.7645 3.2823 3.2823 3.3713 3.3713 4.2623 4.2623 4.9318 4.9318 5.3115 5.3115 7.6887 7.6887 8.4902 8.4902 11.7395 11.7395 k = 0.2119 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4914 -10.4914 -10.4167 -10.4167 -9.6027 -9.6027 -9.2029 -9.2029 -1.4752 -1.4752 -0.3841 -0.3841 -0.0533 -0.0533 0.2300 0.2300 0.4198 0.4198 0.6608 0.6608 1.7214 1.7214 2.1177 2.1177 2.2709 2.2709 2.7626 2.7626 3.2847 3.2847 3.3919 3.3919 4.2624 4.2624 4.9323 4.9323 5.3068 5.3068 7.6877 7.6877 8.4857 8.4857 11.6682 11.6682 k = 0.2295 0.5006 0.8074 ( 5462 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4924 -10.4924 -10.4154 -10.4154 -9.6064 -9.6064 -9.1978 -9.1978 -1.4807 -1.4807 -0.3913 -0.3913 -0.0704 -0.0704 0.2137 0.2137 0.4030 0.4030 0.6606 0.6606 1.7361 1.7361 2.1579 2.1579 2.3022 2.3022 2.7615 2.7615 3.2873 3.2873 3.4128 3.4128 4.2624 4.2624 4.9324 4.9324 5.3021 5.3021 7.6868 7.6868 8.4810 8.4810 11.5996 11.5996 k = 0.2472 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4935 -10.4935 -10.4141 -10.4141 -9.6101 -9.6101 -9.1926 -9.1926 -1.4865 -1.4865 -0.3985 -0.3985 -0.0855 -0.0855 0.1961 0.1961 0.3861 0.3861 0.6605 0.6605 1.7505 1.7505 2.1984 2.1984 2.3332 2.3332 2.7614 2.7614 3.2902 3.2902 3.4335 3.4335 4.2623 4.2623 4.9320 4.9320 5.2975 5.2975 7.6860 7.6860 8.4759 8.4759 11.5342 11.5342 k = 0.2648 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4945 -10.4945 -10.4128 -10.4128 -9.6137 -9.6137 -9.1875 -9.1875 -1.4926 -1.4926 -0.4056 -0.4056 -0.0986 -0.0986 0.1773 0.1773 0.3693 0.3693 0.6604 0.6604 1.7646 1.7646 2.2390 2.2390 2.3634 2.3634 2.7625 2.7625 3.2933 3.2933 3.4539 3.4539 4.2620 4.2620 4.9311 4.9311 5.2930 5.2930 7.6853 7.6853 8.4706 8.4706 11.4724 11.4724 k = 0.2825 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4954 -10.4954 -10.4116 -10.4116 -9.6173 -9.6173 -9.1824 -9.1824 -1.4988 -1.4988 -0.4124 -0.4124 -0.1095 -0.1095 0.1579 0.1579 0.3528 0.3528 0.6604 0.6604 1.7780 1.7780 2.2790 2.2790 2.3923 2.3923 2.7648 2.7648 3.2967 3.2967 3.4737 3.4737 4.2615 4.2615 4.9297 4.9297 5.2888 5.2888 7.6847 7.6847 8.4650 8.4650 11.4145 11.4145 k = 0.3002 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4964 -10.4964 -10.4104 -10.4104 -9.6207 -9.6207 -9.1775 -9.1775 -1.5051 -1.5051 -0.4190 -0.4190 -0.1183 -0.1183 0.1379 0.1379 0.3368 0.3368 0.6604 0.6604 1.7907 1.7907 2.3182 2.3182 2.4195 2.4195 2.7686 2.7686 3.3002 3.3002 3.4927 3.4927 4.2610 4.2610 4.9279 4.9279 5.2848 5.2848 7.6843 7.6843 8.4591 8.4591 11.3608 11.3608 k = 0.3178 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4972 -10.4972 -10.4093 -10.4093 -9.6240 -9.6240 -9.1727 -9.1727 -1.5114 -1.5114 -0.4252 -0.4252 -0.1251 -0.1251 0.1176 0.1176 0.3214 0.3214 0.6604 0.6604 1.8026 1.8026 2.3559 2.3559 2.4444 2.4444 2.7738 2.7738 3.3039 3.3039 3.5109 3.5109 4.2603 4.2603 4.9256 4.9256 5.2812 5.2812 7.6839 7.6839 8.4530 8.4530 11.3114 11.3114 k = 0.3355 0.5006 0.8074 ( 5462 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4981 -10.4981 -10.4083 -10.4083 -9.6272 -9.6272 -9.1682 -9.1682 -1.5176 -1.5176 -0.4310 -0.4310 -0.1299 -0.1299 0.0972 0.0972 0.3069 0.3069 0.6605 0.6605 1.8136 1.8136 2.3919 2.3919 2.4669 2.4669 2.7804 2.7804 3.3076 3.3076 3.5279 3.5279 4.2595 4.2595 4.9230 4.9230 5.2779 5.2779 7.6837 7.6837 8.4467 8.4467 11.2667 11.2667 k = 0.3531 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4988 -10.4988 -10.4073 -10.4073 -9.6302 -9.6302 -9.1639 -9.1639 -1.5236 -1.5236 -0.4363 -0.4363 -0.1328 -0.1328 0.0772 0.0772 0.2935 0.2935 0.6605 0.6605 1.8236 1.8236 2.4257 2.4257 2.4866 2.4866 2.7882 2.7882 3.3112 3.3112 3.5436 3.5436 4.2586 4.2586 4.9201 4.9201 5.2751 5.2751 7.6835 7.6835 8.4402 8.4402 11.2266 11.2266 k = 0.3708 0.5006 0.8074 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4995 -10.4995 -10.4064 -10.4064 -9.6330 -9.6330 -9.1599 -9.1599 -1.5293 -1.5293 -0.4410 -0.4410 -0.1341 -0.1341 0.0576 0.0576 0.2812 0.2812 0.6606 0.6606 1.8326 1.8326 2.4570 2.4570 2.5036 2.5036 2.7971 2.7971 3.3147 3.3147 3.5579 3.5579 4.2577 4.2577 4.9172 4.9172 5.2726 5.2726 7.6835 7.6835 8.4337 8.4337 11.1912 11.1912 k = 0.3884 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5001 -10.5001 -10.4057 -10.4057 -9.6356 -9.6356 -9.1562 -9.1562 -1.5346 -1.5346 -0.4452 -0.4452 -0.1339 -0.1339 0.0389 0.0389 0.2701 0.2701 0.6607 0.6607 1.8404 1.8404 2.4853 2.4853 2.5179 2.5179 2.8065 2.8065 3.3180 3.3180 3.5707 3.5707 4.2568 4.2568 4.9142 4.9142 5.2706 5.2706 7.6836 7.6836 8.4271 8.4271 11.1605 11.1605 k = 0.4061 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5007 -10.5007 -10.4050 -10.4050 -9.6379 -9.6379 -9.1528 -9.1528 -1.5394 -1.5394 -0.4488 -0.4488 -0.1328 -0.1328 0.0216 0.0216 0.2605 0.2605 0.6607 0.6607 1.8470 1.8470 2.5100 2.5100 2.5301 2.5301 2.8159 2.8159 3.3209 3.3209 3.5818 3.5818 4.2560 4.2560 4.9114 4.9114 5.2689 5.2689 7.6836 7.6836 8.4205 8.4205 11.1345 11.1345 k = 0.4238 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5011 -10.5011 -10.4044 -10.4044 -9.6400 -9.6400 -9.1499 -9.1499 -1.5436 -1.5436 -0.4517 -0.4517 -0.1312 -0.1312 0.0062 0.0062 0.2524 0.2524 0.6608 0.6608 1.8525 1.8525 2.5291 2.5291 2.5422 2.5422 2.8249 2.8249 3.3233 3.3233 3.5911 3.5911 4.2552 4.2552 4.9090 4.9090 5.2677 5.2677 7.6837 7.6837 8.4141 8.4141 11.1129 11.1129 k = 0.4414 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5015 -10.5015 -10.4039 -10.4039 -9.6418 -9.6418 -9.1473 -9.1473 -1.5471 -1.5471 -0.4540 -0.4540 -0.1300 -0.1300 -0.0065 -0.0065 0.2458 0.2458 0.6608 0.6608 1.8568 1.8568 2.5400 2.5400 2.5569 2.5569 2.8328 2.8328 3.3251 3.3251 3.5987 3.5987 4.2546 4.2546 4.9070 4.9070 5.2669 5.2669 7.6838 7.6838 8.4079 8.4079 11.0957 11.0957 k = 0.4591 0.5006 0.8074 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5018 -10.5018 -10.4035 -10.4035 -9.6433 -9.6433 -9.1452 -9.1452 -1.5498 -1.5498 -0.4557 -0.4557 -0.1301 -0.1301 -0.0153 -0.0153 0.2409 0.2409 0.6609 0.6609 1.8598 1.8598 2.5458 2.5458 2.5711 2.5711 2.8392 2.8392 3.3263 3.3263 3.6044 3.6044 4.2541 4.2541 4.9056 4.9056 5.2666 5.2666 7.6839 7.6839 8.4020 8.4020 11.0829 11.0829 k = 0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4033 -10.4033 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0195 -0.0195 0.2377 0.2377 0.6609 0.6609 1.8617 1.8617 2.5491 2.5491 2.5824 2.5824 2.8436 2.8436 3.3267 3.3267 3.6081 3.6081 4.2539 4.2539 4.9049 4.9049 5.2666 5.2666 7.6841 7.6841 8.3966 8.3966 11.0741 11.0741 k = 0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4033 -10.4033 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0195 -0.0195 0.2377 0.2377 0.6609 0.6609 1.8617 1.8617 2.5491 2.5491 2.5824 2.5824 2.8436 2.8436 3.3267 3.3267 3.6081 3.6081 4.2539 4.2539 4.9049 4.9049 5.2666 5.2666 7.6841 7.6841 8.3966 8.3966 11.0741 11.0741 k = 0.4642 0.4874 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5017 -10.5017 -10.4037 -10.4037 -9.6425 -9.6425 -9.1462 -9.1462 -1.5489 -1.5489 -0.4554 -0.4554 -0.1255 -0.1255 -0.0164 -0.0164 0.2422 0.2422 0.6609 0.6609 1.8594 1.8594 2.5446 2.5446 2.5645 2.5645 2.8373 2.8373 3.3266 3.3266 3.6028 3.6028 4.2542 4.2542 4.9056 4.9056 5.2662 5.2662 7.6839 7.6839 8.4062 8.4062 11.0869 11.0869 k = 0.4516 0.4742 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5012 -10.5012 -10.4042 -10.4042 -9.6396 -9.6396 -9.1502 -9.1502 -1.5448 -1.5448 -0.4536 -0.4536 -0.1156 -0.1156 -0.0122 -0.0122 0.2485 0.2485 0.6607 0.6607 1.8562 1.8562 2.5337 2.5337 2.5435 2.5435 2.8288 2.8288 3.3265 3.3265 3.5952 3.5952 4.2546 4.2546 4.9067 4.9067 5.2659 5.2659 7.6837 7.6837 8.4191 8.4191 11.1052 11.1052 k = 0.4391 0.4611 0.8074 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5007 -10.5007 -10.4049 -10.4049 -9.6359 -9.6359 -9.1551 -9.1551 -1.5397 -1.5397 -0.4513 -0.4513 -0.1028 -0.1028 -0.0067 -0.0067 0.2566 0.2566 0.6606 0.6606 1.8520 1.8520 2.5030 2.5030 2.5334 2.5334 2.8184 2.8184 3.3262 3.3262 3.5854 3.5854 4.2552 4.2552 4.9081 4.9081 5.2657 5.2657 7.6835 7.6835 8.4348 8.4348 11.1292 11.1292 k = 0.4265 0.4479 0.8074 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5000 -10.5000 -10.4057 -10.4057 -9.6314 -9.6314 -9.1611 -9.1611 -1.5336 -1.5336 -0.4485 -0.4485 -0.0872 -0.0872 0.0001 0.0001 0.2665 0.2665 0.6604 0.6604 1.8469 1.8469 2.4631 2.4631 2.5241 2.5241 2.8064 2.8064 3.3259 3.3259 3.5734 3.5734 4.2559 4.2559 4.9099 4.9099 5.2657 5.2657 7.6832 7.6832 8.4523 8.4523 11.1589 11.1589 k = 0.4140 0.4347 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4992 -10.4992 -10.4067 -10.4067 -9.6264 -9.6264 -9.1679 -9.1679 -1.5268 -1.5268 -0.4450 -0.4450 -0.0690 -0.0690 0.0080 0.0080 0.2780 0.2780 0.6602 0.6602 1.8409 1.8409 2.4167 2.4167 2.5135 2.5135 2.7929 2.7929 3.3253 3.3253 3.5592 3.5592 4.2566 4.2566 4.9120 4.9120 5.2663 5.2663 7.6829 7.6829 8.4707 8.4707 11.1945 11.1945 k = 0.4015 0.4216 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4983 -10.4983 -10.4079 -10.4079 -9.6208 -9.6208 -9.1753 -9.1753 -1.5193 -1.5193 -0.4410 -0.4410 -0.0484 -0.0484 0.0172 0.0172 0.2911 0.2911 0.6600 0.6600 1.8340 1.8340 2.3650 2.3650 2.5016 2.5016 2.7781 2.7781 3.3245 3.3245 3.5429 3.5429 4.2575 4.2575 4.9145 4.9145 5.2675 5.2675 7.6825 7.6825 8.4892 8.4892 11.2358 11.2358 k = 0.3889 0.4084 0.8074 ( 5470 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4972 -10.4972 -10.4091 -10.4091 -9.6147 -9.6147 -9.1834 -9.1834 -1.5114 -1.5114 -0.4363 -0.4363 -0.0260 -0.0260 0.0279 0.0279 0.3056 0.3056 0.6598 0.6598 1.8261 1.8261 2.3091 2.3091 2.4883 2.4883 2.7620 2.7620 3.3233 3.3233 3.5247 3.5247 4.2585 4.2585 4.9174 4.9174 5.2696 5.2696 7.6819 7.6819 8.5068 8.5068 11.2829 11.2829 k = 0.3764 0.3952 0.8074 ( 5472 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4961 -10.4961 -10.4105 -10.4105 -9.6084 -9.6084 -9.1917 -9.1917 -1.5030 -1.5030 -0.4309 -0.4309 -0.0027 -0.0027 0.0406 0.0406 0.3214 0.3214 0.6596 0.6596 1.8174 1.8174 2.2501 2.2501 2.4738 2.4738 2.7447 2.7447 3.3216 3.3216 3.5048 3.5048 4.2595 4.2595 4.9205 4.9205 5.2729 5.2729 7.6814 7.6814 8.5227 8.5227 11.3356 11.3356 k = 0.3638 0.3820 0.8074 ( 5476 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4949 -10.4949 -10.4120 -10.4120 -9.6020 -9.6020 -9.2003 -9.2003 -1.4945 -1.4945 -0.4248 -0.4248 0.0200 0.0200 0.0565 0.0565 0.3383 0.3383 0.6594 0.6594 1.8078 1.8078 2.1893 2.1893 2.4581 2.4581 2.7262 2.7262 3.3195 3.3195 3.4832 3.4832 4.2604 4.2604 4.9241 4.9241 5.2775 5.2775 7.6807 7.6807 8.5361 8.5361 11.3933 11.3933 k = 0.3513 0.3689 0.8074 ( 5472 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4936 -10.4936 -10.4136 -10.4136 -9.5956 -9.5956 -9.2086 -9.2086 -1.4860 -1.4860 -0.4179 -0.4179 0.0401 0.0401 0.0768 0.0768 0.3563 0.3563 0.6591 0.6591 1.7972 1.7972 2.1281 2.1281 2.4413 2.4413 2.7063 2.7063 3.3167 3.3167 3.4604 3.4604 4.2615 4.2615 4.9279 4.9279 5.2835 5.2835 7.6800 7.6800 8.5464 8.5464 11.4558 11.4558 k = 0.3387 0.3557 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4922 -10.4922 -10.4153 -10.4153 -9.5896 -9.5896 -9.2167 -9.2167 -1.4775 -1.4775 -0.4103 -0.4103 0.0572 0.0572 0.1011 0.1011 0.3750 0.3750 0.6589 0.6589 1.7857 1.7857 2.0681 2.0681 2.4236 2.4236 2.6853 2.6853 3.3131 3.3131 3.4365 3.4365 4.2625 4.2625 4.9321 4.9321 5.2912 5.2912 7.6792 7.6792 8.5529 8.5529 11.5224 11.5224 k = 0.3262 0.3425 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4907 -10.4907 -10.4170 -10.4170 -9.5842 -9.5842 -9.2240 -9.2240 -1.4692 -1.4692 -0.4018 -0.4018 0.0729 0.0729 0.1273 0.1273 0.3944 0.3944 0.6587 0.6587 1.7730 1.7730 2.0108 2.0108 2.4051 2.4051 2.6629 2.6629 3.3088 3.3088 3.4118 3.4118 4.2635 4.2635 4.9367 4.9367 5.3005 5.3005 7.6784 7.6784 8.5553 8.5553 11.5926 11.5926 k = 0.3136 0.3293 0.8074 ( 5482 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4892 -10.4892 -10.4189 -10.4189 -9.5795 -9.5795 -9.2304 -9.2304 -1.4611 -1.4611 -0.3925 -0.3925 0.0880 0.0880 0.1532 0.1532 0.4142 0.4142 0.6585 0.6585 1.7591 1.7591 1.9580 1.9580 2.3859 2.3859 2.6393 2.6393 3.3036 3.3036 3.3868 3.3868 4.2645 4.2645 4.9417 4.9417 5.3116 5.3116 7.6775 7.6775 8.5533 8.5533 11.6654 11.6654 k = 0.3011 0.3162 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4876 -10.4876 -10.4208 -10.4208 -9.5760 -9.5760 -9.2355 -9.2355 -1.4534 -1.4534 -0.3823 -0.3823 0.1032 0.1032 0.1772 0.1772 0.4341 0.4341 0.6584 0.6584 1.7437 1.7437 1.9116 1.9116 2.3661 2.3661 2.6145 2.6145 3.2975 3.2975 3.3617 3.3617 4.2653 4.2653 4.9470 4.9470 5.3243 5.3243 7.6765 7.6765 8.5467 8.5467 11.7401 11.7401 k = 0.2885 0.3030 0.8074 ( 5478 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4860 -10.4860 -10.4227 -10.4227 -9.5738 -9.5738 -9.2390 -9.2390 -1.4461 -1.4461 -0.3713 -0.3713 0.1187 0.1187 0.1977 0.1977 0.4539 0.4539 0.6582 0.6582 1.7268 1.7268 1.8734 1.8734 2.3458 2.3458 2.5884 2.5884 3.2903 3.2903 3.3370 3.3370 4.2661 4.2661 4.9529 4.9529 5.3387 5.3387 7.6754 7.6754 8.5356 8.5356 11.8158 11.8158 k = 0.2760 0.2898 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4843 -10.4843 -10.4247 -10.4247 -9.5731 -9.5731 -9.2408 -9.2408 -1.4392 -1.4392 -0.3595 -0.3595 0.1345 0.1345 0.2135 0.2135 0.4736 0.4736 0.6582 0.6582 1.7087 1.7087 1.8446 1.8446 2.3252 2.3252 2.5612 2.5612 3.2817 3.2817 3.3132 3.3132 4.2669 4.2669 4.9592 4.9592 5.3545 5.3545 7.6744 7.6744 8.5198 8.5198 11.8914 11.8914 k = 0.2635 0.2766 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4827 -10.4827 -10.4267 -10.4267 -9.5741 -9.5741 -9.2407 -9.2407 -1.4328 -1.4328 -0.3469 -0.3469 0.1505 0.1505 0.2233 0.2233 0.4928 0.4928 0.6581 0.6581 1.6900 1.6900 1.8257 1.8257 2.3044 2.3044 2.5330 2.5330 3.2708 3.2708 3.2916 3.2916 4.2675 4.2675 4.9660 4.9660 5.3716 5.3716 7.6732 7.6732 8.4994 8.4994 11.9659 11.9659 k = 0.2509 0.2635 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4810 -10.4810 -10.4287 -10.4287 -9.5767 -9.5767 -9.2386 -9.2386 -1.4269 -1.4269 -0.3336 -0.3336 0.1669 0.1669 0.2263 0.2263 0.5115 0.5115 0.6581 0.6581 1.6719 1.6719 1.8170 1.8170 2.2835 2.2835 2.5038 2.5038 3.2557 3.2557 3.2746 3.2746 4.2680 4.2680 4.9733 4.9733 5.3898 5.3898 7.6720 7.6720 8.4746 8.4746 12.0379 12.0379 k = 0.2384 0.2503 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4793 -10.4793 -10.4308 -10.4308 -9.5809 -9.5809 -9.2347 -9.2347 -1.4215 -1.4215 -0.3196 -0.3196 0.1833 0.1833 0.2222 0.2222 0.5296 0.5296 0.6581 0.6581 1.6548 1.6548 1.8183 1.8183 2.2627 2.2627 2.4739 2.4739 3.2368 3.2368 3.2617 3.2617 4.2684 4.2684 4.9811 4.9811 5.4090 5.4090 7.6707 7.6707 8.4455 8.4455 12.1059 12.1059 k = 0.2258 0.2371 0.8074 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4776 -10.4776 -10.4328 -10.4328 -9.5866 -9.5866 -9.2291 -9.2291 -1.4165 -1.4165 -0.3050 -0.3050 0.1975 0.1975 0.2130 0.2130 0.5472 0.5472 0.6581 0.6581 1.6386 1.6386 1.8298 1.8298 2.2421 2.2421 2.4433 2.4433 3.2172 3.2172 3.2502 3.2502 4.2687 4.2687 4.9893 4.9893 5.4289 5.4289 7.6694 7.6694 8.4126 8.4126 12.1681 12.1681 k = 0.2133 0.2240 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4759 -10.4759 -10.4347 -10.4347 -9.5934 -9.5934 -9.2219 -9.2219 -1.4120 -1.4120 -0.2901 -0.2901 0.1887 0.1887 0.2202 0.2202 0.5640 0.5640 0.6582 0.6582 1.6227 1.6227 1.8515 1.8515 2.2218 2.2218 2.4125 2.4125 3.1984 3.1984 3.2389 3.2389 4.2688 4.2688 4.9980 4.9980 5.4492 5.4492 7.6680 7.6680 8.3759 8.3759 12.2223 12.2223 k = 0.2007 0.2108 0.8074 ( 5476 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4743 -10.4743 -10.4367 -10.4367 -9.6013 -9.6013 -9.2136 -9.2136 -1.4080 -1.4080 -0.2748 -0.2748 0.1648 0.1648 0.2367 0.2367 0.5800 0.5800 0.6583 0.6583 1.6069 1.6069 1.8825 1.8825 2.2018 2.2018 2.3816 2.3816 3.1808 3.1808 3.2276 3.2276 4.2689 4.2689 5.0071 5.0071 5.4698 5.4698 7.6665 7.6665 8.3358 8.3358 12.2663 12.2663 k = 0.1882 0.1976 0.8074 ( 5484 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4727 -10.4727 -10.4385 -10.4385 -9.6098 -9.6098 -9.2043 -9.2043 -1.4043 -1.4043 -0.2595 -0.2595 0.1357 0.1357 0.2537 0.2537 0.5952 0.5952 0.6585 0.6585 1.5908 1.5908 1.9219 1.9219 2.1825 2.1825 2.3509 2.3509 3.1646 3.1646 3.2162 3.2162 4.2688 4.2688 5.0164 5.0164 5.4905 5.4905 7.6649 7.6649 8.2930 8.2930 12.2982 12.2982 k = 0.1756 0.1844 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4712 -10.4712 -10.4404 -10.4404 -9.6189 -9.6189 -9.1943 -9.1943 -1.4011 -1.4011 -0.2445 -0.2445 0.1034 0.1034 0.2708 0.2708 0.6094 0.6094 0.6587 0.6587 1.5744 1.5744 1.9679 1.9679 2.1638 2.1638 2.3209 2.3209 3.1498 3.1498 3.2048 3.2048 4.2686 4.2686 5.0258 5.0258 5.5110 5.5110 7.6632 7.6632 8.2478 8.2478 12.3171 12.3171 k = 0.1631 0.1713 0.8074 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4697 -10.4697 -10.4421 -10.4421 -9.6281 -9.6281 -9.1839 -9.1839 -1.3982 -1.3982 -0.2302 -0.2302 0.0695 0.0695 0.2877 0.2877 0.6224 0.6224 0.6589 0.6589 1.5579 1.5579 2.0188 2.0188 2.1459 2.1459 2.2922 2.2922 3.1364 3.1364 3.1936 3.1936 4.2683 4.2683 5.0353 5.0353 5.5311 5.5311 7.6613 7.6613 8.2008 8.2008 12.3231 12.3231 k = 0.1505 0.1581 0.8074 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4683 -10.4683 -10.4438 -10.4438 -9.6374 -9.6374 -9.1734 -9.1734 -1.3957 -1.3957 -0.2173 -0.2173 0.0359 0.0359 0.3042 0.3042 0.6343 0.6343 0.6591 0.6591 1.5413 1.5413 2.0721 2.0721 2.1290 2.1290 2.2656 2.2656 3.1244 3.1244 3.1826 3.1826 4.2679 4.2679 5.0447 5.0447 5.5506 5.5506 7.6593 7.6593 8.1528 8.1528 12.3176 12.3176 k = 0.1380 0.1449 0.8074 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4669 -10.4669 -10.4454 -10.4454 -9.6465 -9.6465 -9.1629 -9.1629 -1.3935 -1.3935 -0.2068 -0.2068 0.0045 0.0045 0.3201 0.3201 0.6450 0.6450 0.6594 0.6594 1.5249 1.5249 2.1111 2.1111 2.1258 2.1258 2.2442 2.2442 3.1138 3.1138 3.1720 3.1720 4.2674 4.2674 5.0539 5.0539 5.5694 5.5694 7.6570 7.6570 8.1045 8.1045 12.3030 12.3030 k = 0.1255 0.1317 0.8074 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4657 -10.4657 -10.4468 -10.4468 -9.6553 -9.6553 -9.1526 -9.1526 -1.3916 -1.3916 -0.2004 -0.2004 -0.0224 -0.0224 0.3354 0.3354 0.6545 0.6545 0.6596 0.6596 1.5089 1.5089 2.0973 2.0973 2.1611 2.1611 2.2405 2.2405 3.1045 3.1045 3.1619 3.1619 4.2668 4.2668 5.0627 5.0627 5.5872 5.5872 7.6544 7.6544 8.0566 8.0566 12.2819 12.2819 k = 0.1129 0.1186 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4645 -10.4645 -10.4482 -10.4482 -9.6636 -9.6636 -9.1428 -9.1428 -1.3899 -1.3899 -0.2001 -0.2001 -0.0422 -0.0422 0.3499 0.3499 0.6597 0.6597 0.6629 0.6629 1.4934 1.4934 2.0835 2.0835 2.1616 2.1616 2.2739 2.2739 3.0964 3.0964 3.1524 3.1524 4.2661 4.2661 5.0711 5.0711 5.6038 5.6038 7.6514 7.6514 8.0102 8.0102 12.2569 12.2569 k = 0.1004 0.1054 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4635 -10.4635 -10.4494 -10.4494 -9.6714 -9.6714 -9.1336 -9.1336 -1.3885 -1.3885 -0.2072 -0.2072 -0.0532 -0.0532 0.3633 0.3633 0.6600 0.6600 0.6700 0.6700 1.4786 1.4786 2.0709 2.0709 2.1460 2.1460 2.3235 2.3235 3.0894 3.0894 3.1436 3.1436 4.2653 4.2653 5.0789 5.0789 5.6192 5.6192 7.6478 7.6478 7.9662 7.9662 12.2301 12.2301 k = 0.0878 0.0922 0.8074 ( 5492 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4625 -10.4625 -10.4505 -10.4505 -9.6784 -9.6784 -9.1252 -9.1252 -1.3873 -1.3873 -0.2205 -0.2205 -0.0561 -0.0561 0.3755 0.3755 0.6602 0.6602 0.6761 0.6761 1.4648 1.4648 2.0595 2.0595 2.1283 2.1283 2.3742 2.3742 3.0835 3.0835 3.1356 3.1356 4.2646 4.2646 5.0860 5.0860 5.6331 5.6331 7.6437 7.6437 7.9255 7.9255 12.2033 12.2033 k = 0.0753 0.0790 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4617 -10.4617 -10.4515 -10.4515 -9.6847 -9.6847 -9.1176 -9.1176 -1.3863 -1.3863 -0.2371 -0.2371 -0.0536 -0.0536 0.3863 0.3863 0.6603 0.6603 0.6812 0.6812 1.4522 1.4522 2.0496 2.0496 2.1117 2.1117 2.4219 2.4219 3.0786 3.0786 3.1286 3.1286 4.2638 4.2638 5.0923 5.0923 5.6454 5.6454 7.6389 7.6389 7.8893 7.8893 12.1779 12.1779 k = 0.0627 0.0659 0.8074 ( 5506 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4610 -10.4610 -10.4523 -10.4523 -9.6901 -9.6901 -9.1110 -9.1110 -1.3855 -1.3855 -0.2543 -0.2543 -0.0485 -0.0485 0.3957 0.3957 0.6604 0.6604 0.6854 0.6854 1.4411 1.4411 2.0410 2.0410 2.0970 2.0970 2.4647 2.4647 3.0746 3.0746 3.1224 3.1224 4.2630 4.2630 5.0977 5.0977 5.6560 5.6560 7.6334 7.6334 7.8581 7.8581 12.1550 12.1550 k = 0.0502 0.0527 0.8074 ( 5500 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4604 -10.4604 -10.4530 -10.4530 -9.6946 -9.6946 -9.1054 -9.1054 -1.3848 -1.3848 -0.2699 -0.2699 -0.0427 -0.0427 0.4035 0.4035 0.6606 0.6606 0.6887 0.6887 1.4316 1.4316 2.0340 2.0340 2.0847 2.0847 2.5015 2.5015 3.0714 3.0714 3.1173 3.1173 4.2624 4.2624 5.1023 5.1023 5.6648 5.6648 7.6276 7.6276 7.8328 7.8328 12.1353 12.1353 k = 0.0376 0.0395 0.8074 ( 5496 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4599 -10.4599 -10.4535 -10.4535 -9.6982 -9.6982 -9.1011 -9.1011 -1.3843 -1.3843 -0.2830 -0.2830 -0.0372 -0.0372 0.4096 0.4096 0.6606 0.6606 0.6912 0.6912 1.4240 1.4240 2.0284 2.0284 2.0749 2.0749 2.5311 2.5311 3.0689 3.0689 3.1133 3.1133 4.2618 4.2618 5.1058 5.1058 5.6718 5.6718 7.6218 7.6218 7.8135 7.8135 12.1195 12.1195 k = 0.0251 0.0263 0.8074 ( 5500 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4596 -10.4596 -10.4539 -10.4539 -9.7007 -9.7007 -9.0979 -9.0979 -1.3840 -1.3840 -0.2927 -0.2927 -0.0329 -0.0329 0.4140 0.4140 0.6607 0.6607 0.6930 0.6930 1.4184 1.4184 2.0245 2.0245 2.0679 2.0679 2.5528 2.5528 3.0672 3.0672 3.1104 3.1104 4.2613 4.2613 5.1084 5.1084 5.6768 5.6768 7.6168 7.6168 7.8001 7.8001 12.1080 12.1080 k = 0.0125 0.0132 0.8074 ( 5496 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4594 -10.4594 -10.4542 -10.4542 -9.7023 -9.7023 -9.0960 -9.0960 -1.3838 -1.3838 -0.2987 -0.2987 -0.0302 -0.0302 0.4167 0.4167 0.6607 0.6607 0.6941 0.6941 1.4150 1.4150 2.0221 2.0221 2.0636 2.0636 2.5660 2.5660 3.0662 3.0662 3.1086 3.1086 4.2610 4.2610 5.1100 5.1100 5.6799 5.6799 7.6135 7.6135 7.7923 7.7923 12.1010 12.1010 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4593 -10.4593 -10.4542 -10.4542 -9.7028 -9.7028 -9.0953 -9.0953 -1.3837 -1.3837 -0.3007 -0.3007 -0.0292 -0.0292 0.4176 0.4176 0.6607 0.6607 0.6944 0.6944 1.4139 1.4139 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0659 3.0659 3.1080 3.1080 4.2610 4.2610 5.1105 5.1105 5.6809 5.6809 7.6123 7.6123 7.7897 7.7897 12.0986 12.0986 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4593 -10.4593 -10.4542 -10.4542 -9.7028 -9.7028 -9.0953 -9.0953 -1.3837 -1.3837 -0.3007 -0.3007 -0.0292 -0.0292 0.4176 0.4176 0.6607 0.6607 0.6944 0.6944 1.4139 1.4139 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0659 3.0659 3.1080 3.1080 4.2610 4.2610 5.1105 5.1105 5.6809 5.6809 7.6123 7.6123 7.7897 7.7897 12.0986 12.0986 k = 0.0000 0.0000 0.7895 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4597 -10.4597 -10.4551 -10.4551 -9.7023 -9.7023 -9.0956 -9.0956 -1.3814 -1.3814 -0.3012 -0.3012 -0.0282 -0.0282 0.4046 0.4046 0.6595 0.6595 0.7069 0.7069 1.4064 1.4064 2.0293 2.0293 2.0640 2.0640 2.5688 2.5688 3.0680 3.0680 3.1082 3.1082 4.2631 4.2631 5.1103 5.1103 5.6804 5.6804 7.6112 7.6112 7.7889 7.7889 12.0971 12.0971 k = 0.0000 0.0000 0.7715 ( 5490 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4428 -37.4428 -37.2835 -37.2835 -10.4625 -10.4625 -10.4560 -10.4560 -9.7009 -9.7009 -9.0964 -9.0964 -1.3745 -1.3745 -0.3028 -0.3028 -0.0251 -0.0251 0.3714 0.3714 0.6534 0.6534 0.7410 0.7410 1.3853 1.3853 2.0519 2.0519 2.0695 2.0695 2.5640 2.5640 3.0740 3.0740 3.1087 3.1087 4.2694 4.2694 5.1096 5.1096 5.6789 5.6789 7.6079 7.6079 7.7865 7.7865 12.0924 12.0924 k = 0.0000 0.0000 0.7536 ( 5504 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4428 -37.4428 -37.2834 -37.2834 -10.4693 -10.4693 -10.4554 -10.4554 -9.6985 -9.6985 -9.0977 -9.0977 -1.3632 -1.3632 -0.3056 -0.3056 -0.0200 -0.0200 0.3275 0.3275 0.6420 0.6420 0.7876 0.7876 1.3533 1.3533 2.0759 2.0759 2.0895 2.0895 2.5562 2.5562 3.0836 3.0836 3.1098 3.1098 4.2798 4.2798 5.1086 5.1086 5.6765 5.6765 7.6022 7.6022 7.7830 7.7830 12.0849 12.0849 k = 0.0000 0.0000 0.7356 ( 5500 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4426 -37.4426 -37.2834 -37.2834 -10.4793 -10.4793 -10.4539 -10.4539 -9.6954 -9.6954 -9.0996 -9.0996 -1.3473 -1.3473 -0.3095 -0.3095 -0.0129 -0.0129 0.2788 0.2788 0.6262 0.6262 0.8404 0.8404 1.3134 1.3134 2.0886 2.0886 2.1333 2.1333 2.5459 2.5459 3.0956 3.0956 3.1122 3.1122 4.2939 4.2939 5.1071 5.1071 5.6731 5.6731 7.5939 7.5939 7.7787 7.7787 12.0748 12.0748 k = 0.0000 0.0000 0.7177 ( 5506 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4425 -37.4425 -37.2833 -37.2833 -10.4920 -10.4920 -10.4519 -10.4519 -9.6915 -9.6915 -9.1019 -9.1019 -1.3270 -1.3270 -0.3148 -0.3148 -0.0040 -0.0040 0.2285 0.2285 0.6062 0.6062 0.8958 0.8958 1.2685 1.2685 2.1039 2.1039 2.1845 2.1845 2.5334 2.5334 3.1055 3.1055 3.1200 3.1200 4.3113 4.3113 5.1053 5.1053 5.6689 5.6689 7.5826 7.5826 7.7743 7.7743 12.0623 12.0623 k = 0.0000 0.0000 0.6998 ( 5510 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4423 -37.4423 -37.2831 -37.2831 -10.5071 -10.5071 -10.4494 -10.4494 -9.6871 -9.6871 -9.1047 -9.1047 -1.3024 -1.3024 -0.3215 -0.3215 0.0066 0.0066 0.1783 0.1783 0.5826 0.5826 0.9515 0.9515 1.2214 1.2214 2.1223 2.1223 2.2406 2.2406 2.5192 2.5192 3.1099 3.1099 3.1365 3.1365 4.3315 4.3315 5.1031 5.1031 5.6638 5.6638 7.5682 7.5682 7.7704 7.7704 12.0480 12.0480 k = 0.0000 0.0000 0.6818 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4420 -37.4420 -37.2829 -37.2829 -10.5246 -10.5246 -10.4464 -10.4464 -9.6823 -9.6823 -9.1081 -9.1081 -1.2736 -1.2736 -0.3297 -0.3297 0.0174 0.0174 0.1304 0.1304 0.5560 0.5560 1.0040 1.0040 1.1759 1.1759 2.1440 2.1440 2.2999 2.2999 2.5039 2.5039 3.1128 3.1128 3.1569 3.1569 4.3539 4.3539 5.1007 5.1007 5.6579 5.6579 7.5505 7.5505 7.7676 7.7676 12.0321 12.0321 k = 0.0000 0.0000 0.6639 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5246 -49.5246 -37.4418 -37.4418 -37.2828 -37.2828 -10.5441 -10.5441 -10.4430 -10.4430 -9.6771 -9.6771 -9.1118 -9.1118 -1.2407 -1.2407 -0.3395 -0.3395 0.0227 0.0227 0.0911 0.0911 0.5269 0.5269 1.0399 1.0399 1.1455 1.1455 2.1687 2.1687 2.3613 2.3613 2.4878 2.4878 3.1160 3.1160 3.1795 3.1795 4.3778 4.3778 5.0979 5.0979 5.6513 5.6513 7.5296 7.5296 7.7665 7.7665 12.0150 12.0150 k = 0.0000 0.0000 0.6459 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4415 -37.4415 -37.2825 -37.2825 -10.5654 -10.5654 -10.4392 -10.4392 -9.6717 -9.6717 -9.1161 -9.1161 -1.2040 -1.2040 -0.3510 -0.3510 0.0037 0.0037 0.0795 0.0795 0.4960 0.4960 1.0274 1.0274 1.1622 1.1622 2.1964 2.1964 2.4229 2.4229 2.4726 2.4726 3.1198 3.1198 3.2035 3.2035 4.4028 4.4028 5.0950 5.0950 5.6441 5.6441 7.5056 7.5056 7.7672 7.7672 11.9970 11.9970 k = 0.0000 0.0000 0.6280 ( 5486 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4412 -37.4412 -37.2823 -37.2823 -10.5883 -10.5883 -10.4350 -10.4350 -9.6663 -9.6663 -9.1207 -9.1207 -1.1637 -1.1637 -0.3641 -0.3641 -0.0358 -0.0358 0.0918 0.0918 0.4639 0.4639 0.9842 0.9842 1.2085 1.2085 2.2271 2.2271 2.4488 2.4488 2.4938 2.4938 3.1243 3.1243 3.2286 3.2286 4.4280 4.4280 5.0919 5.0919 5.6362 5.6362 7.4791 7.4791 7.7700 7.7700 11.9783 11.9783 k = 0.0000 0.0000 0.6100 ( 5488 PWs) bands (ev): -81.1248 -81.1248 -49.5244 -49.5244 -37.4408 -37.4408 -37.2820 -37.2820 -10.6127 -10.6127 -10.4305 -10.4305 -9.6610 -9.6610 -9.1257 -9.1257 -1.1201 -1.1201 -0.3789 -0.3789 -0.0792 -0.0792 0.1115 0.1115 0.4313 0.4313 0.9342 0.9342 1.2603 1.2603 2.2603 2.2603 2.4336 2.4336 2.5567 2.5567 3.1299 3.1299 3.2545 3.2545 4.4527 4.4527 5.0887 5.0887 5.6278 5.6278 7.4505 7.4505 7.7749 7.7749 11.9591 11.9591 k = 0.0000 0.0000 0.5921 ( 5484 PWs) bands (ev): -81.1248 -81.1248 -49.5243 -49.5243 -37.4405 -37.4405 -37.2818 -37.2818 -10.6382 -10.6382 -10.4256 -10.4256 -9.6558 -9.6558 -9.1311 -9.1311 -1.0737 -1.0737 -0.3952 -0.3952 -0.1223 -0.1223 0.1343 0.1343 0.3991 0.3991 0.8826 0.8826 1.3122 1.3122 2.2959 2.2959 2.4171 2.4171 2.6217 2.6217 3.1366 3.1366 3.2808 3.2808 4.4764 4.4764 5.0855 5.0855 5.6190 5.6190 7.4205 7.4205 7.7822 7.7822 11.9396 11.9396 k = 0.0000 0.0000 0.5742 ( 5480 PWs) bands (ev): -81.1248 -81.1248 -49.5242 -49.5242 -37.4401 -37.4401 -37.2815 -37.2815 -10.6648 -10.6648 -10.4204 -10.4204 -9.6508 -9.6508 -9.1368 -9.1368 -1.0250 -1.0250 -0.4128 -0.4128 -0.1641 -0.1641 0.1585 0.1585 0.3684 0.3684 0.8309 0.8309 1.3627 1.3627 2.3322 2.3322 2.4024 2.4024 2.6870 2.6870 3.1445 3.1445 3.3073 3.3073 4.4984 4.4984 5.0823 5.0823 5.6099 5.6099 7.3896 7.3896 7.7917 7.7917 11.9197 11.9197 k = 0.0000 0.0000 0.5562 ( 5464 PWs) bands (ev): -81.1248 -81.1248 -49.5241 -49.5241 -37.4396 -37.4396 -37.2811 -37.2811 -10.6923 -10.6923 -10.4148 -10.4148 -9.6461 -9.6461 -9.1428 -9.1428 -0.9749 -0.9749 -0.4309 -0.4309 -0.2039 -0.2039 0.1825 0.1825 0.3409 0.3409 0.7797 0.7797 1.4109 1.4109 2.3592 2.3592 2.3996 2.3996 2.7522 2.7522 3.1539 3.1539 3.3338 3.3338 4.5182 4.5182 5.0793 5.0793 5.6005 5.6005 7.3583 7.3583 7.8036 7.8036 11.8993 11.8993 k = 0.0000 0.0000 0.5383 ( 5460 PWs) bands (ev): -81.1248 -81.1248 -49.5240 -49.5240 -37.4392 -37.4392 -37.2808 -37.2808 -10.7204 -10.7204 -10.4090 -10.4090 -9.6417 -9.6417 -9.1491 -9.1491 -0.9248 -0.9248 -0.4488 -0.4488 -0.2417 -0.2417 0.2028 0.2028 0.3204 0.3204 0.7295 0.7295 1.4564 1.4564 2.3553 2.3553 2.4304 2.4304 2.8169 2.8169 3.1647 3.1647 3.3600 3.3600 4.5352 4.5352 5.0764 5.0764 5.5910 5.5910 7.3274 7.3274 7.8177 7.8177 11.8782 11.8782 k = 0.0000 0.0000 0.5203 ( 5460 PWs) bands (ev): -81.1248 -81.1248 -49.5238 -49.5238 -37.4388 -37.4388 -37.2804 -37.2804 -10.7490 -10.7490 -10.4030 -10.4030 -9.6377 -9.6377 -9.1556 -9.1556 -0.8768 -0.8768 -0.4645 -0.4645 -0.2771 -0.2771 0.2121 0.2121 0.3143 0.3143 0.6805 0.6805 1.4988 1.4988 2.3412 2.3412 2.4741 2.4741 2.8810 2.8810 3.1771 3.1771 3.3856 3.3856 4.5491 4.5491 5.0738 5.0738 5.5814 5.5814 7.2973 7.2973 7.8340 7.8340 11.8561 11.8561 k = 0.0000 0.0000 0.5024 ( 5460 PWs) bands (ev): -81.1248 -81.1248 -49.5237 -49.5237 -37.4384 -37.4384 -37.2800 -37.2800 -10.7779 -10.7779 -10.3967 -10.3967 -9.6341 -9.6341 -9.1623 -9.1623 -0.8343 -0.8343 -0.4754 -0.4754 -0.3097 -0.3097 0.2060 0.2060 0.3273 0.3273 0.6332 0.6332 1.5377 1.5377 2.3259 2.3259 2.5215 2.5215 2.9443 2.9443 3.1911 3.1911 3.4106 3.4106 4.5594 4.5594 5.0715 5.0715 5.5717 5.5717 7.2686 7.2686 7.8525 7.8525 11.8324 11.8324 k = 0.0000 0.0000 0.4844 ( 5458 PWs) bands (ev): -81.1249 -81.1249 -49.5236 -49.5236 -37.4379 -37.4379 -37.2796 -37.2796 -10.8070 -10.8070 -10.3903 -10.3903 -9.6308 -9.6308 -9.1692 -9.1692 -0.8022 -0.8022 -0.4780 -0.4780 -0.3385 -0.3385 0.1914 0.1914 0.3522 0.3522 0.5880 0.5880 1.5730 1.5730 2.3106 2.3106 2.5713 2.5713 3.0065 3.0065 3.2066 3.2066 3.4346 3.4346 4.5659 4.5659 5.0696 5.0696 5.5622 5.5622 7.2419 7.2419 7.8731 7.8731 11.8064 11.8064 k = 0.0000 0.0000 0.4665 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5235 -49.5235 -37.4374 -37.4374 -37.2792 -37.2792 -10.8362 -10.8362 -10.3837 -10.3837 -9.6281 -9.6281 -9.1763 -9.1763 -0.7851 -0.7851 -0.4710 -0.4710 -0.3606 -0.3606 0.1755 0.1755 0.3810 0.3810 0.5464 0.5464 1.6045 1.6045 2.2957 2.2957 2.6231 2.6231 3.0676 3.0676 3.2235 3.2235 3.4575 3.4575 4.5684 4.5684 5.0681 5.0681 5.5529 5.5529 7.2176 7.2176 7.8955 7.8955 11.7774 11.7774 k = 0.0000 0.0000 0.4486 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5233 -49.5233 -37.4370 -37.4370 -37.2788 -37.2788 -10.8654 -10.8654 -10.3770 -10.3770 -9.6257 -9.6257 -9.1834 -9.1834 -0.7845 -0.7845 -0.4623 -0.4623 -0.3671 -0.3671 0.1619 0.1619 0.4060 0.4060 0.5134 0.5134 1.6320 1.6320 2.2814 2.2814 2.6764 2.6764 3.1273 3.1273 3.2418 3.2418 3.4791 3.4791 4.5669 4.5669 5.0671 5.0671 5.5440 5.5440 7.1963 7.1963 7.9196 7.9196 11.7442 11.7442 k = 0.0000 0.0000 0.4306 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5232 -49.5232 -37.4365 -37.4365 -37.2784 -37.2784 -10.8943 -10.8943 -10.3702 -10.3702 -9.6237 -9.6237 -9.1906 -9.1906 -0.7975 -0.7975 -0.4672 -0.4672 -0.3471 -0.3471 0.1527 0.1527 0.4102 0.4102 0.5047 0.5047 1.6557 1.6557 2.2677 2.2677 2.7311 2.7311 3.1855 3.1855 3.2611 3.2611 3.4991 3.4991 4.5610 4.5610 5.0666 5.0666 5.5354 5.5354 7.1784 7.1784 7.9451 7.9451 11.7059 11.7059 k = 0.0000 0.0000 0.4127 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5231 -49.5231 -37.4361 -37.4361 -37.2779 -37.2779 -10.9229 -10.9229 -10.3634 -10.3634 -9.6221 -9.6221 -9.1978 -9.1978 -0.8198 -0.8198 -0.4836 -0.4836 -0.3086 -0.3086 0.1502 0.1502 0.3867 0.3867 0.5269 0.5269 1.6755 1.6755 2.2547 2.2547 2.7869 2.7869 3.2420 3.2420 3.2813 3.2813 3.5175 3.5175 4.5511 4.5511 5.0666 5.0666 5.5274 5.5274 7.1643 7.1643 7.9718 7.9718 11.6615 11.6615 k = 0.0000 0.0000 0.3947 ( 5458 PWs) bands (ev): -81.1250 -81.1250 -49.5230 -49.5230 -37.4356 -37.4356 -37.2775 -37.2775 -10.9511 -10.9511 -10.3565 -10.3565 -9.6209 -9.6209 -9.2050 -9.2050 -0.8477 -0.8477 -0.5035 -0.5035 -0.2656 -0.2656 0.1567 0.1567 0.3537 0.3537 0.5616 0.5616 1.6917 1.6917 2.2426 2.2426 2.8435 2.8435 3.2967 3.2967 3.3020 3.3020 3.5340 3.5340 4.5369 4.5369 5.0671 5.0671 5.5201 5.5201 7.1543 7.1543 7.9993 7.9993 11.6104 11.6104 k = 0.0000 0.0000 0.3768 ( 5458 PWs) bands (ev): -81.1250 -81.1250 -49.5228 -49.5228 -37.4352 -37.4352 -37.2771 -37.2771 -10.9787 -10.9787 -10.3497 -10.3497 -9.6200 -9.6200 -9.2121 -9.2121 -0.8791 -0.8791 -0.5238 -0.5238 -0.2264 -0.2264 0.1746 0.1746 0.3199 0.3199 0.6004 0.6004 1.7043 1.7043 2.2312 2.2312 2.9007 2.9007 3.3229 3.3229 3.3495 3.3495 3.5485 3.5485 4.5186 4.5186 5.0682 5.0682 5.5136 5.5136 7.1488 7.1488 8.0275 8.0275 11.5526 11.5526 k = 0.0000 0.0000 0.3588 ( 5446 PWs) bands (ev): -81.1250 -81.1250 -49.5227 -49.5227 -37.4347 -37.4347 -37.2766 -37.2766 -11.0058 -11.0058 -10.3429 -10.3429 -9.6195 -9.6195 -9.2192 -9.2192 -0.9125 -0.9125 -0.5435 -0.5435 -0.1958 -0.1958 0.2029 0.2029 0.2909 0.2909 0.6408 0.6408 1.7136 1.7136 2.2208 2.2208 2.9582 2.9582 3.3437 3.3437 3.4002 3.4002 3.5611 3.5611 4.4963 4.4963 5.0698 5.0698 5.5081 5.5081 7.1479 7.1479 8.0558 8.0558 11.4885 11.4885 k = 0.0000 0.0000 0.3409 ( 5436 PWs) bands (ev): -81.1250 -81.1250 -49.5226 -49.5226 -37.4343 -37.4343 -37.2761 -37.2761 -11.0320 -11.0320 -10.3362 -10.3362 -9.6192 -9.6192 -9.2261 -9.2261 -0.9467 -0.9467 -0.5621 -0.5621 -0.1753 -0.1753 0.2204 0.2204 0.2883 0.2883 0.6820 0.6820 1.7199 1.7199 2.2113 2.2113 3.0157 3.0157 3.3642 3.3642 3.4485 3.4485 3.5716 3.5716 4.4701 4.4701 5.0721 5.0721 5.5036 5.5036 7.1518 7.1518 8.0841 8.0841 11.4192 11.4192 k = 0.0000 0.0000 0.3230 ( 5452 PWs) bands (ev): -81.1250 -81.1250 -49.5224 -49.5224 -37.4339 -37.4339 -37.2757 -37.2757 -11.0575 -11.0575 -10.3296 -10.3296 -9.6192 -9.6192 -9.2329 -9.2329 -0.9813 -0.9813 -0.5795 -0.5795 -0.1639 -0.1639 0.2017 0.2017 0.3358 0.3358 0.7234 0.7234 1.7235 1.7235 2.2027 2.2027 3.0728 3.0728 3.3839 3.3839 3.4944 3.4944 3.5802 3.5802 4.4400 4.4400 5.0749 5.0749 5.5002 5.5002 7.1605 7.1605 8.1120 8.1120 11.3460 11.3460 k = 0.0000 0.0000 0.3050 ( 5456 PWs) bands (ev): -81.1251 -81.1251 -49.5223 -49.5223 -37.4335 -37.4335 -37.2753 -37.2753 -11.0820 -11.0820 -10.3231 -10.3231 -9.6195 -9.6195 -9.2396 -9.2396 -1.0156 -1.0156 -0.5956 -0.5956 -0.1590 -0.1590 0.1739 0.1739 0.4032 0.4032 0.7648 0.7648 1.7247 1.7247 2.1951 2.1951 3.1293 3.1293 3.4026 3.4026 3.5371 3.5371 3.5874 3.5874 4.4064 4.4064 5.0782 5.0782 5.4980 5.4980 7.1741 7.1741 8.1392 8.1392 11.2704 11.2704 k = 0.0000 0.0000 0.2871 ( 5452 PWs) bands (ev): -81.1251 -81.1251 -49.5222 -49.5222 -37.4331 -37.4331 -37.2748 -37.2748 -11.1056 -11.1056 -10.3168 -10.3168 -9.6199 -9.6199 -9.2460 -9.2460 -1.0492 -1.0492 -0.6103 -0.6103 -0.1586 -0.1586 0.1455 0.1455 0.4791 0.4791 0.8058 0.8058 1.7238 1.7238 2.1886 2.1886 3.1846 3.1846 3.4202 3.4202 3.5730 3.5730 3.5970 3.5970 4.3695 4.3695 5.0821 5.0821 5.4970 5.4970 7.1924 7.1924 8.1654 8.1654 11.1937 11.1937 k = 0.0000 0.0000 0.2691 ( 5442 PWs) bands (ev): -81.1251 -81.1251 -49.5221 -49.5221 -37.4327 -37.4327 -37.2744 -37.2744 -11.1281 -11.1281 -10.3107 -10.3107 -9.6205 -9.6205 -9.2522 -9.2522 -1.0819 -1.0819 -0.6236 -0.6236 -0.1609 -0.1609 0.1182 0.1182 0.5595 0.5595 0.8463 0.8463 1.7212 1.7212 2.1831 2.1831 3.2383 3.2383 3.4366 3.4366 3.5871 3.5871 3.6241 3.6241 4.3296 4.3296 5.0865 5.0865 5.4973 5.4973 7.2152 7.2152 8.1906 8.1906 11.1173 11.1173 k = 0.0000 0.0000 0.2512 ( 5440 PWs) bands (ev): -81.1251 -81.1251 -49.5220 -49.5220 -37.4323 -37.4323 -37.2740 -37.2740 -11.1495 -11.1495 -10.3049 -10.3049 -9.6212 -9.6212 -9.2581 -9.2581 -1.1134 -1.1134 -0.6357 -0.6357 -0.1649 -0.1649 0.0924 0.0924 0.6422 0.6422 0.8862 0.8862 1.7172 1.7172 2.1787 2.1787 3.2898 3.2898 3.4519 3.4519 3.5897 3.5897 3.6584 3.6584 4.2870 4.2870 5.0912 5.0912 5.4988 5.4988 7.2421 7.2421 8.2143 8.2143 11.0422 11.0422 k = 0.0000 0.0000 0.2333 ( 5446 PWs) bands (ev): -81.1251 -81.1251 -49.5219 -49.5219 -37.4320 -37.4320 -37.2736 -37.2736 -11.1697 -11.1697 -10.2993 -10.2993 -9.6220 -9.6220 -9.2638 -9.2638 -1.1434 -1.1434 -0.6465 -0.6465 -0.1699 -0.1699 0.0682 0.0682 0.7252 0.7252 0.9257 0.9257 1.7122 1.7122 2.1753 2.1753 3.3379 3.3379 3.4665 3.4665 3.5898 3.5898 3.6913 3.6913 4.2422 4.2422 5.0963 5.0963 5.5013 5.5013 7.2726 7.2726 8.2365 8.2365 10.9694 10.9694 k = 0.0000 0.0000 0.2153 ( 5450 PWs) bands (ev): -81.1251 -81.1251 -49.5218 -49.5218 -37.4317 -37.4317 -37.2732 -37.2732 -11.1886 -11.1886 -10.2940 -10.2940 -9.6229 -9.6229 -9.2691 -9.2691 -1.1718 -1.1718 -0.6561 -0.6561 -0.1753 -0.1753 0.0457 0.0457 0.8064 0.8064 0.9653 0.9653 1.7064 1.7064 2.1730 2.1730 3.3810 3.3810 3.4816 3.4816 3.5886 3.5886 3.7218 3.7218 4.1957 4.1957 5.1016 5.1016 5.5049 5.5049 7.3062 7.3062 8.2571 8.2571 10.8996 10.8996 k = 0.0000 0.0000 0.1974 ( 5450 PWs) bands (ev): -81.1251 -81.1251 -49.5217 -49.5217 -37.4314 -37.4314 -37.2729 -37.2729 -11.2062 -11.2062 -10.2891 -10.2891 -9.6239 -9.6239 -9.2741 -9.2741 -1.1984 -1.1984 -0.6646 -0.6646 -0.1810 -0.1810 0.0251 0.0251 0.8828 0.8828 1.0068 1.0068 1.7003 1.7003 2.1716 2.1716 3.4160 3.4160 3.4998 3.4998 3.5869 3.5869 3.7496 3.7496 4.1483 4.1483 5.1070 5.1070 5.5092 5.5092 7.3423 7.3423 8.2759 8.2759 10.8335 10.8335 k = 0.0000 0.0000 0.1794 ( 5446 PWs) bands (ev): -81.1252 -81.1252 -49.5216 -49.5216 -37.4311 -37.4311 -37.2725 -37.2725 -11.2225 -11.2225 -10.2845 -10.2845 -9.6248 -9.6248 -9.2787 -9.2787 -1.2231 -1.2231 -0.6720 -0.6720 -0.1866 -0.1866 0.0062 0.0062 0.9496 0.9496 1.0537 1.0537 1.6941 1.6941 2.1711 2.1711 3.4395 3.4395 3.5237 3.5237 3.5849 3.5849 3.7746 3.7746 4.1009 4.1009 5.1124 5.1124 5.5142 5.5142 7.3800 7.3800 8.2929 8.2929 10.7717 10.7717 k = 0.0000 0.0000 0.1615 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5215 -49.5215 -37.4309 -37.4309 -37.2722 -37.2722 -11.2373 -11.2373 -10.2802 -10.2802 -9.6258 -9.6258 -9.2829 -9.2829 -1.2457 -1.2457 -0.6785 -0.6785 -0.1920 -0.1920 -0.0108 -0.0108 1.0017 1.0017 1.1097 1.1097 1.6883 1.6883 2.1714 2.1714 3.4523 3.4523 3.5522 3.5522 3.5834 3.5834 3.7965 3.7965 4.0546 4.0546 5.1177 5.1177 5.5196 5.5196 7.4186 7.4186 8.3081 8.3081 10.7147 10.7147 k = 0.0000 0.0000 0.1435 ( 5442 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4307 -37.4307 -37.2719 -37.2719 -11.2507 -11.2507 -10.2763 -10.2763 -9.6267 -9.6267 -9.2868 -9.2868 -1.2663 -1.2663 -0.6840 -0.6840 -0.1971 -0.1971 -0.0259 -0.0259 1.0404 1.0404 1.1724 1.1724 1.6832 1.6832 2.1723 2.1723 3.4579 3.4579 3.5773 3.5773 3.5862 3.5862 3.8150 3.8150 4.0108 4.0108 5.1227 5.1227 5.5253 5.5253 7.4570 7.4570 8.3215 8.3215 10.6628 10.6628 k = 0.0000 0.0000 0.1256 ( 5440 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4305 -37.4305 -37.2717 -37.2717 -11.2626 -11.2626 -10.2729 -10.2729 -9.6276 -9.6276 -9.2902 -9.2902 -1.2845 -1.2845 -0.6886 -0.6886 -0.2018 -0.2018 -0.0392 -0.0392 1.0702 1.0702 1.2356 1.2356 1.6792 1.6792 2.1738 2.1738 3.4594 3.4594 3.5797 3.5797 3.6094 3.6094 3.8295 3.8295 3.9718 3.9718 5.1275 5.1275 5.5309 5.5309 7.4944 7.4944 8.3332 8.3332 10.6164 10.6164 k = 0.0000 0.0000 0.1077 ( 5440 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4303 -37.4303 -37.2714 -37.2714 -11.2730 -11.2730 -10.2699 -10.2699 -9.6284 -9.6284 -9.2932 -9.2932 -1.3005 -1.3005 -0.6925 -0.6925 -0.2061 -0.2061 -0.0507 -0.0507 1.0943 1.0943 1.2947 1.2947 1.6767 1.6767 2.1755 2.1755 3.4585 3.4585 3.5794 3.5794 3.6307 3.6307 3.8387 3.8387 3.9407 3.9407 5.1318 5.1318 5.5362 5.5362 7.5296 7.5296 8.3431 8.3431 10.5757 10.5757 k = 0.0000 0.0000 0.0897 ( 5433 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4301 -37.4301 -37.2712 -37.2712 -11.2818 -11.2818 -10.2673 -10.2673 -9.6290 -9.6290 -9.2958 -9.2958 -1.3141 -1.3141 -0.6957 -0.6957 -0.2098 -0.2098 -0.0603 -0.0603 1.1140 1.1140 1.3470 1.3470 1.6760 1.6760 2.1774 2.1774 3.4563 3.4563 3.5794 3.5794 3.6455 3.6455 3.8408 3.8408 3.9210 3.9210 5.1357 5.1357 5.5412 5.5412 7.5616 7.5616 8.3513 8.3513 10.5409 10.5409 k = 0.0000 0.0000 0.0718 ( 5431 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4300 -37.4300 -37.2711 -37.2711 -11.2891 -11.2891 -10.2651 -10.2651 -9.6296 -9.6296 -9.2979 -9.2979 -1.3254 -1.3254 -0.6982 -0.6982 -0.2129 -0.2129 -0.0682 -0.0682 1.1297 1.1297 1.3906 1.3906 1.6772 1.6772 2.1792 2.1792 3.4535 3.4535 3.5795 3.5795 3.6530 3.6530 3.8371 3.8371 3.9132 3.9132 5.1390 5.1390 5.5455 5.5455 7.5895 7.5895 8.3580 8.3580 10.5123 10.5123 k = 0.0000 0.0000 0.0538 ( 5419 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.2947 -11.2947 -10.2635 -10.2635 -9.6301 -9.6301 -9.2995 -9.2995 -1.3341 -1.3341 -0.7001 -0.7001 -0.2154 -0.2154 -0.0742 -0.0742 1.1419 1.1419 1.4243 1.4243 1.6801 1.6801 2.1809 2.1809 3.4508 3.4508 3.5797 3.5797 3.6538 3.6538 3.8325 3.8325 3.9125 3.9125 5.1416 5.1416 5.5491 5.5491 7.6122 7.6122 8.3631 8.3631 10.4899 10.4899 k = 0.0000 0.0000 0.0359 ( 5421 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2988 -11.2988 -10.2623 -10.2623 -9.6304 -9.6304 -9.3007 -9.3007 -1.3404 -1.3404 -0.7014 -0.7014 -0.2172 -0.2172 -0.0785 -0.0785 1.1505 1.1505 1.4478 1.4478 1.6837 1.6837 2.1821 2.1821 3.4485 3.4485 3.5800 3.5800 3.6507 3.6507 3.8298 3.8298 3.9141 3.9141 5.1435 5.1435 5.5517 5.5517 7.6291 7.6291 8.3667 8.3667 10.4738 10.4738 k = 0.0000 0.0000 0.0179 ( 5421 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3012 -11.3012 -10.2616 -10.2616 -9.6307 -9.6307 -9.3014 -9.3014 -1.3442 -1.3442 -0.7022 -0.7022 -0.2183 -0.2183 -0.0811 -0.0811 1.1556 1.1556 1.4615 1.4615 1.6867 1.6867 2.1829 2.1829 3.4471 3.4471 3.5802 3.5802 3.6472 3.6472 3.8290 3.8290 3.9156 3.9156 5.1447 5.1447 5.5533 5.5533 7.6395 7.6395 8.3688 8.3688 10.4642 10.4642 k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3021 -11.3021 -10.2613 -10.2613 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1573 1.1573 1.4659 1.4659 1.6879 1.6879 2.1832 2.1832 3.4466 3.4466 3.5803 3.5803 3.6457 3.6457 3.8289 3.8289 3.9162 3.9162 5.1451 5.1451 5.5539 5.5539 7.6430 7.6430 8.3695 8.3695 10.4610 10.4610 k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3021 -11.3021 -10.2613 -10.2613 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1573 1.1573 1.4659 1.4659 1.6879 1.6879 2.1832 2.1832 3.4466 3.4466 3.5803 3.5803 3.6457 3.6457 3.8289 3.8289 3.9162 3.9162 5.1451 5.1451 5.5539 5.5539 7.6430 7.6430 8.3695 8.3695 10.4610 10.4610 k =-0.0132 0.0125 0.0000 ( 5421 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3018 -11.3018 -10.2616 -10.2616 -9.6308 -9.6308 -9.3018 -9.3018 -1.3446 -1.3446 -0.7025 -0.7025 -0.2199 -0.2199 -0.0813 -0.0813 1.1576 1.1576 1.4667 1.4667 1.6896 1.6896 2.1831 2.1831 3.4448 3.4448 3.5775 3.5775 3.6464 3.6464 3.8284 3.8284 3.9152 3.9152 5.1460 5.1460 5.5541 5.5541 7.6431 7.6431 8.3686 8.3686 10.4640 10.4640 k =-0.0263 0.0251 0.0000 ( 5425 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.3009 -11.3009 -10.2624 -10.2624 -9.6310 -9.6310 -9.3021 -9.3021 -1.3423 -1.3423 -0.7026 -0.7026 -0.2236 -0.2236 -0.0792 -0.0792 1.1583 1.1583 1.4689 1.4689 1.6947 1.6947 2.1829 2.1829 3.4395 3.4395 3.5697 3.5697 3.6483 3.6483 3.8271 3.8271 3.9124 3.9124 5.1486 5.1486 5.5548 5.5548 7.6433 7.6433 8.3657 8.3657 10.4730 10.4730 k =-0.0395 0.0376 0.0000 ( 5431 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2994 -11.2994 -10.2637 -10.2637 -9.6314 -9.6314 -9.3026 -9.3026 -1.3383 -1.3383 -0.7028 -0.7028 -0.2298 -0.2298 -0.0754 -0.0754 1.1594 1.1594 1.4725 1.4725 1.7033 1.7033 2.1826 2.1826 3.4307 3.4307 3.5574 3.5574 3.6509 3.6509 3.8249 3.8249 3.9078 3.9078 5.1531 5.1531 5.5560 5.5560 7.6436 7.6436 8.3610 8.3610 10.4879 10.4879 k =-0.0526 0.0501 0.0000 ( 5443 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2973 -11.2973 -10.2656 -10.2656 -9.6320 -9.6320 -9.3034 -9.3034 -1.3328 -1.3328 -0.7031 -0.7031 -0.2386 -0.2386 -0.0698 -0.0698 1.1610 1.1610 1.4772 1.4772 1.7152 1.7152 2.1822 2.1822 3.4181 3.4181 3.5412 3.5412 3.6539 3.6539 3.8218 3.8218 3.9013 3.9013 5.1591 5.1591 5.5577 5.5577 7.6441 7.6441 8.3543 8.3543 10.5085 10.5085 k =-0.0658 0.0627 0.0000 ( 5449 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2947 -11.2947 -10.2679 -10.2679 -9.6328 -9.6328 -9.3043 -9.3043 -1.3258 -1.3258 -0.7035 -0.7035 -0.2499 -0.2499 -0.0621 -0.0621 1.1630 1.1630 1.4829 1.4829 1.7305 1.7305 2.1816 2.1816 3.4017 3.4017 3.5220 3.5220 3.6568 3.6568 3.8180 3.8180 3.8931 3.8931 5.1668 5.1668 5.5599 5.5599 7.6446 7.6446 8.3457 8.3457 10.5345 10.5345 k =-0.0789 0.0752 0.0000 ( 5445 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2915 -11.2915 -10.2707 -10.2707 -9.6338 -9.6338 -9.3055 -9.3055 -1.3174 -1.3174 -0.7038 -0.7038 -0.2636 -0.2636 -0.0523 -0.0523 1.1655 1.1655 1.4892 1.4892 1.7490 1.7490 2.1810 2.1810 3.3810 3.3810 3.5004 3.5004 3.6596 3.6596 3.8134 3.8134 3.8833 3.8833 5.1759 5.1759 5.5627 5.5627 7.6453 7.6453 8.3350 8.3350 10.5658 10.5658 k =-0.0921 0.0877 0.0000 ( 5435 PWs) bands (ev): -81.1252 -81.1252 -49.5211 -49.5211 -37.4298 -37.4298 -37.2708 -37.2708 -11.2878 -11.2878 -10.2738 -10.2738 -9.6350 -9.6350 -9.3068 -9.3068 -1.3076 -1.3076 -0.7042 -0.7042 -0.2794 -0.2794 -0.0403 -0.0403 1.1682 1.1682 1.4962 1.4962 1.7706 1.7706 2.1803 2.1803 3.3558 3.3558 3.4773 3.4773 3.6622 3.6622 3.8081 3.8081 3.8719 3.8719 5.1862 5.1862 5.5661 5.5661 7.6460 7.6460 8.3224 8.3224 10.6019 10.6019 k =-0.1053 0.1002 0.0000 ( 5435 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2836 -11.2836 -10.2773 -10.2773 -9.6365 -9.6365 -9.3083 -9.3083 -1.2964 -1.2964 -0.7047 -0.7047 -0.2969 -0.2969 -0.0261 -0.0261 1.1713 1.1713 1.5034 1.5034 1.7950 1.7950 2.1795 2.1795 3.3257 3.3257 3.4533 3.4533 3.6644 3.6644 3.8022 3.8022 3.8592 3.8592 5.1976 5.1976 5.5701 5.5701 7.6467 7.6467 8.3077 8.3077 10.6423 10.6423 k =-0.1184 0.1128 0.0000 ( 5439 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2789 -11.2789 -10.2810 -10.2810 -9.6383 -9.6383 -9.3100 -9.3100 -1.2841 -1.2841 -0.7052 -0.7052 -0.3159 -0.3159 -0.0099 -0.0099 1.1747 1.1747 1.5109 1.5109 1.8218 1.8218 2.1786 2.1786 3.2908 3.2908 3.4290 3.4290 3.6662 3.6662 3.7956 3.7956 3.8453 3.8453 5.2099 5.2099 5.5748 5.5748 7.6473 7.6473 8.2910 8.2910 10.6866 10.6866 k =-0.1316 0.1253 0.0000 ( 5443 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2738 -11.2738 -10.2850 -10.2850 -9.6404 -9.6404 -9.3119 -9.3119 -1.2707 -1.2707 -0.7057 -0.7057 -0.3358 -0.3358 0.0084 0.0084 1.1784 1.1784 1.5186 1.5186 1.8508 1.8508 2.1777 2.1777 3.2513 3.2513 3.4047 3.4047 3.6673 3.6673 3.7882 3.7882 3.8306 3.8306 5.2229 5.2229 5.5803 5.5803 7.6478 7.6478 8.2723 8.2723 10.7342 10.7342 k =-0.1447 0.1378 0.0000 ( 5439 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2683 -11.2683 -10.2891 -10.2891 -9.6429 -9.6429 -9.3139 -9.3139 -1.2563 -1.2563 -0.7062 -0.7062 -0.3563 -0.3563 0.0285 0.0285 1.1823 1.1823 1.5264 1.5264 1.8815 1.8815 2.1769 2.1769 3.2075 3.2075 3.3804 3.3804 3.6676 3.6676 3.7799 3.7799 3.8158 3.8158 5.2363 5.2363 5.5865 5.5865 7.6483 7.6483 8.2517 8.2517 10.7847 10.7847 k =-0.1579 0.1504 0.0000 ( 5447 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2624 -11.2624 -10.2933 -10.2933 -9.6456 -9.6456 -9.3160 -9.3160 -1.2412 -1.2412 -0.7067 -0.7067 -0.3770 -0.3770 0.0505 0.0505 1.1863 1.1863 1.5342 1.5342 1.9135 1.9135 2.1760 2.1760 3.1602 3.1602 3.3562 3.3562 3.6668 3.6668 3.7703 3.7703 3.8016 3.8016 5.2499 5.2499 5.5937 5.5937 7.6486 7.6486 8.2292 8.2292 10.8373 10.8373 k =-0.1711 0.1629 0.0000 ( 5451 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2562 -11.2562 -10.2976 -10.2976 -9.6488 -9.6488 -9.3183 -9.3183 -1.2254 -1.2254 -0.7071 -0.7071 -0.3975 -0.3975 0.0741 0.0741 1.1905 1.1905 1.5420 1.5420 1.9463 1.9463 2.1753 2.1753 3.1099 3.1099 3.3319 3.3319 3.6642 3.6642 3.7588 3.7588 3.7893 3.7893 5.2636 5.2636 5.6018 5.6018 7.6486 7.6486 8.2051 8.2051 10.8915 10.8915 k =-0.1842 0.1754 0.0000 ( 5465 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2497 -11.2497 -10.3018 -10.3018 -9.6524 -9.6524 -9.3206 -9.3206 -1.2092 -1.2092 -0.7074 -0.7074 -0.4174 -0.4174 0.0993 0.0993 1.1948 1.1948 1.5497 1.5497 1.9794 1.9794 2.1749 2.1749 3.0572 3.0572 3.3075 3.3075 3.6592 3.6592 3.7460 3.7460 3.7794 3.7794 5.2770 5.2770 5.6108 5.6108 7.6485 7.6485 8.1793 8.1793 10.9468 10.9468 k =-0.1974 0.1880 0.0000 ( 5465 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2430 -11.2430 -10.3059 -10.3059 -9.6563 -9.6563 -9.3231 -9.3231 -1.1928 -1.1928 -0.7077 -0.7077 -0.4363 -0.4363 0.1260 0.1260 1.1992 1.1992 1.5574 1.5574 2.0122 2.0122 2.1749 2.1749 3.0027 3.0027 3.2831 3.2831 3.6510 3.6510 3.7332 3.7332 3.7715 3.7715 5.2901 5.2901 5.6209 5.6209 7.6481 7.6481 8.1521 8.1521 11.0029 11.0029 k =-0.2105 0.2005 0.0000 ( 5459 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2362 -11.2362 -10.3098 -10.3098 -9.6606 -9.6606 -9.3256 -9.3256 -1.1765 -1.1765 -0.7079 -0.7079 -0.4538 -0.4538 0.1541 0.1541 1.2035 1.2035 1.5650 1.5650 2.0439 2.0439 2.1756 2.1756 2.9472 2.9472 3.2586 3.2586 3.6388 3.6388 3.7218 3.7218 3.7652 3.7652 5.3026 5.3026 5.6320 5.6320 7.6474 7.6474 8.1237 8.1237 11.0594 11.0594 k =-0.2237 0.2130 0.0000 ( 5455 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2292 -11.2292 -10.3135 -10.3135 -9.6654 -9.6654 -9.3281 -9.3281 -1.1605 -1.1605 -0.7080 -0.7080 -0.4696 -0.4696 0.1833 0.1833 1.2078 1.2078 1.5725 1.5725 2.0734 2.0734 2.1778 2.1778 2.8913 2.8913 3.2342 3.2342 3.6225 3.6225 3.7122 3.7122 3.7602 3.7602 5.3144 5.3144 5.6441 5.6441 7.6464 7.6464 8.0943 8.0943 11.1159 11.1159 k =-0.2368 0.2255 0.0000 ( 5457 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2221 -11.2221 -10.3170 -10.3170 -9.6705 -9.6705 -9.3307 -9.3307 -1.1452 -1.1452 -0.7080 -0.7080 -0.4834 -0.4834 0.2136 0.2136 1.2120 1.2120 1.5797 1.5797 2.0989 2.0989 2.1824 2.1824 2.8357 2.8357 3.2099 3.2099 3.6029 3.6029 3.7042 3.7042 3.7564 3.7564 5.3254 5.3254 5.6571 5.6571 7.6450 7.6450 8.0641 8.0641 11.1726 11.1726 k =-0.2500 0.2381 0.0000 ( 5457 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2150 -11.2150 -10.3201 -10.3201 -9.6760 -9.6760 -9.3333 -9.3333 -1.1308 -1.1308 -0.7079 -0.7079 -0.4947 -0.4947 0.2449 0.2449 1.2159 1.2159 1.5868 1.5868 2.1183 2.1183 2.1911 2.1911 2.7813 2.7813 3.1858 3.1858 3.5809 3.5809 3.6972 3.6972 3.7536 3.7536 5.3356 5.3356 5.6710 5.6710 7.6433 7.6433 8.0334 8.0334 11.2292 11.2292 k =-0.2632 0.2506 0.0000 ( 5457 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2079 -11.2079 -10.3229 -10.3229 -9.6818 -9.6818 -9.3359 -9.3359 -1.1177 -1.1177 -0.7079 -0.7079 -0.5033 -0.5033 0.2769 0.2769 1.2197 1.2197 1.5936 1.5936 2.1304 2.1304 2.2039 2.2039 2.7294 2.7294 3.1620 3.1620 3.5573 3.5573 3.6908 3.6908 3.7516 3.7516 5.3448 5.3448 5.6856 5.6856 7.6412 7.6412 8.0025 8.0025 11.2858 11.2858 k =-0.2763 0.2631 0.0000 ( 5459 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.2010 -11.2010 -10.3252 -10.3252 -9.6880 -9.6880 -9.3385 -9.3385 -1.1061 -1.1061 -0.7079 -0.7079 -0.5088 -0.5088 0.3095 0.3095 1.2231 1.2231 1.6000 1.6000 2.1366 2.1366 2.2180 2.2180 2.6815 2.6815 3.1386 3.1386 3.5327 3.5327 3.6848 3.6848 3.7503 3.7503 5.3532 5.3532 5.7008 5.7008 7.6386 7.6386 7.9716 7.9716 11.3424 11.3424 k =-0.2895 0.2757 0.0000 ( 5460 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1942 -11.1942 -10.3272 -10.3272 -9.6944 -9.6944 -9.3410 -9.3410 -1.0961 -1.0961 -0.7080 -0.7080 -0.5111 -0.5111 0.3426 0.3426 1.2261 1.2261 1.6062 1.6062 2.1395 2.1395 2.2291 2.2291 2.6395 2.6395 3.1157 3.1157 3.5076 3.5076 3.6789 3.6789 3.7495 3.7495 5.3607 5.3607 5.7164 5.7164 7.6357 7.6357 7.9409 7.9409 11.3991 11.3991 k =-0.3026 0.2882 0.0000 ( 5468 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1875 -11.1875 -10.3287 -10.3287 -9.7010 -9.7010 -9.3435 -9.3435 -1.0880 -1.0880 -0.7083 -0.7083 -0.5102 -0.5102 0.3758 0.3758 1.2288 1.2288 1.6120 1.6120 2.1407 2.1407 2.2334 2.2334 2.6060 2.6060 3.0934 3.0934 3.4823 3.4823 3.6734 3.6734 3.7490 3.7490 5.3674 5.3674 5.7323 5.7323 7.6322 7.6322 7.9109 7.9109 11.4556 11.4556 k =-0.3158 0.3007 0.0000 ( 5484 PWs) bands (ev): -81.1253 -81.1253 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1811 -11.1811 -10.3299 -10.3299 -9.7078 -9.7078 -9.3459 -9.3459 -1.0816 -1.0816 -0.7088 -0.7088 -0.5061 -0.5061 0.4091 0.4091 1.2309 1.2309 1.6174 1.6174 2.1408 2.1408 2.2282 2.2282 2.5829 2.5829 3.0719 3.0719 3.4572 3.4572 3.6681 3.6681 3.7488 3.7488 5.3732 5.3732 5.7482 5.7482 7.6283 7.6283 7.8818 7.8818 11.5120 11.5120 k =-0.3289 0.3133 0.0000 ( 5494 PWs) bands (ev): -81.1253 -81.1253 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1750 -11.1750 -10.3306 -10.3306 -9.7147 -9.7147 -9.3482 -9.3482 -1.0770 -1.0770 -0.7094 -0.7094 -0.4990 -0.4990 0.4422 0.4422 1.2324 1.2324 1.6223 1.6223 2.1403 2.1403 2.2127 2.2127 2.5711 2.5711 3.0512 3.0512 3.4325 3.4325 3.6631 3.6631 3.7488 3.7488 5.3784 5.3784 5.7640 5.7640 7.6239 7.6239 7.8540 7.8540 11.5680 11.5680 k =-0.3421 0.3258 0.0000 ( 5484 PWs) bands (ev): -81.1253 -81.1253 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1692 -11.1692 -10.3309 -10.3309 -9.7216 -9.7216 -9.3505 -9.3505 -1.0741 -1.0741 -0.7102 -0.7102 -0.4894 -0.4894 0.4748 0.4748 1.2334 1.2334 1.6268 1.6268 2.1392 2.1392 2.1885 2.1885 2.5692 2.5692 3.0315 3.0315 3.4085 3.4085 3.6585 3.6585 3.7489 3.7489 5.3830 5.3830 5.7795 5.7795 7.6190 7.6190 7.8277 7.8277 11.6234 11.6234 k =-0.3553 0.3383 0.0000 ( 5478 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1638 -11.1638 -10.3308 -10.3308 -9.7285 -9.7285 -9.3526 -9.3526 -1.0725 -1.0725 -0.7111 -0.7111 -0.4777 -0.4777 0.5068 0.5068 1.2338 1.2338 1.6309 1.6309 2.1361 2.1361 2.1599 2.1599 2.5746 2.5746 3.0129 3.0129 3.3854 3.3854 3.6542 3.6542 3.7491 3.7491 5.3869 5.3869 5.7944 5.7944 7.6135 7.6135 7.8032 7.8032 11.6777 11.6777 k =-0.3684 0.3509 0.0000 ( 5474 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1587 -11.1587 -10.3305 -10.3305 -9.7352 -9.7352 -9.3545 -9.3545 -1.0720 -1.0720 -0.7119 -0.7119 -0.4644 -0.4644 0.5378 0.5378 1.2335 1.2335 1.6344 1.6344 2.1174 2.1174 2.1434 2.1434 2.5844 2.5844 2.9956 2.9956 3.3634 3.3634 3.6503 3.6503 3.7492 3.7492 5.3903 5.3903 5.8087 5.8087 7.6075 7.6075 7.7810 7.7810 11.7306 11.7306 k =-0.3816 0.3634 0.0000 ( 5470 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1541 -11.1541 -10.3299 -10.3299 -9.7417 -9.7417 -9.3564 -9.3564 -1.0725 -1.0725 -0.7128 -0.7128 -0.4502 -0.4502 0.5676 0.5676 1.2326 1.2326 1.6374 1.6374 2.0841 2.0841 2.1404 2.1404 2.5965 2.5965 2.9795 2.9795 3.3428 3.3428 3.6469 3.6469 3.7494 3.7494 5.3933 5.3933 5.8221 5.8221 7.6009 7.6009 7.7611 7.7611 11.7814 11.7814 k =-0.3947 0.3759 0.0000 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1499 -11.1499 -10.3290 -10.3290 -9.7478 -9.7478 -9.3580 -9.3580 -1.0736 -1.0736 -0.7136 -0.7136 -0.4356 -0.4356 0.5957 0.5957 1.2312 1.2312 1.6399 1.6399 2.0500 2.0500 2.1391 2.1391 2.6095 2.6095 2.9649 2.9649 3.3237 3.3237 3.6438 3.6438 3.7496 3.7496 5.3957 5.3957 5.8346 5.8346 7.5938 7.5938 7.7437 7.7437 11.8297 11.8297 k =-0.4079 0.3884 0.0000 ( 5448 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1462 -11.1462 -10.3280 -10.3280 -9.7536 -9.7536 -9.3595 -9.3595 -1.0751 -1.0751 -0.7144 -0.7144 -0.4211 -0.4211 0.6219 0.6219 1.2293 1.2293 1.6419 1.6419 2.0174 2.0174 2.1383 2.1383 2.6223 2.6223 2.9517 2.9517 3.3064 3.3064 3.6411 3.6411 3.7497 3.7497 5.3979 5.3979 5.8459 5.8459 7.5864 7.5864 7.7290 7.7290 11.8747 11.8747 k =-0.4211 0.4010 0.0000 ( 5446 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1429 -11.1429 -10.3270 -10.3270 -9.7588 -9.7588 -9.3609 -9.3609 -1.0769 -1.0769 -0.7151 -0.7151 -0.4074 -0.4074 0.6458 0.6458 1.2271 1.2271 1.6434 1.6434 1.9877 1.9877 2.1375 2.1375 2.6343 2.6343 2.9402 2.9402 3.2909 3.2909 3.6388 3.6388 3.7499 3.7499 5.3996 5.3996 5.8560 5.8560 7.5789 7.5789 7.7168 7.7168 11.9158 11.9158 k =-0.4342 0.4135 0.0000 ( 5454 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1401 -11.1401 -10.3260 -10.3260 -9.7634 -9.7634 -9.3620 -9.3620 -1.0786 -1.0786 -0.7157 -0.7157 -0.3948 -0.3948 0.6669 0.6669 1.2247 1.2247 1.6444 1.6444 1.9616 1.9616 2.1369 2.1369 2.6450 2.6450 2.9304 2.9304 3.2776 3.2776 3.6369 3.6369 3.7499 3.7499 5.4010 5.4010 5.8646 5.8646 7.5718 7.5718 7.7069 7.7069 11.9522 11.9522 k =-0.4474 0.4260 0.0000 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4298 -37.4298 -37.2708 -37.2708 -11.1378 -11.1378 -10.3250 -10.3250 -9.7672 -9.7672 -9.3629 -9.3629 -1.0803 -1.0803 -0.7161 -0.7161 -0.3839 -0.3839 0.6849 0.6849 1.2223 1.2223 1.6450 1.6450 1.9397 1.9397 2.1364 2.1364 2.6540 2.6540 2.9223 2.9223 3.2664 3.2664 3.6353 3.6353 3.7500 3.7500 5.4022 5.4022 5.8718 5.8718 7.5653 7.5653 7.6993 7.6993 11.9832 11.9832 k =-0.4605 0.4386 0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1361 -11.1361 -10.3242 -10.3242 -9.7703 -9.7703 -9.3637 -9.3637 -1.0816 -1.0816 -0.7165 -0.7165 -0.3750 -0.3750 0.6995 0.6995 1.2201 1.2201 1.6454 1.6454 1.9223 1.9223 2.1361 2.1361 2.6613 2.6613 2.9159 2.9159 3.2576 3.2576 3.6341 3.6341 3.7500 3.7500 5.4030 5.4030 5.8775 5.8775 7.5599 7.5599 7.6936 7.6936 12.0082 12.0082 k =-0.4737 0.4511 0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1348 -11.1348 -10.3236 -10.3236 -9.7726 -9.7726 -9.3642 -9.3642 -1.0827 -1.0827 -0.7168 -0.7168 -0.3684 -0.3684 0.7101 0.7101 1.2183 1.2183 1.6455 1.6455 1.9097 1.9097 2.1358 2.1358 2.6665 2.6665 2.9114 2.9114 3.2513 3.2513 3.6333 3.6333 3.7500 3.7500 5.4036 5.4036 5.8816 5.8816 7.5558 7.5558 7.6896 7.6896 12.0265 12.0265 k =-0.4868 0.4636 0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1340 -11.1340 -10.3232 -10.3232 -9.7740 -9.7740 -9.3645 -9.3645 -1.0833 -1.0833 -0.7169 -0.7169 -0.3644 -0.3644 0.7166 0.7166 1.2172 1.2172 1.6455 1.6455 1.9021 1.9021 2.1356 2.1356 2.6697 2.6697 2.9087 2.9087 3.2474 3.2474 3.6328 3.6328 3.7500 3.7500 5.4040 5.4040 5.8841 5.8841 7.5532 7.5532 7.6874 7.6874 12.0377 12.0377 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1338 -11.1338 -10.3231 -10.3231 -9.7745 -9.7745 -9.3646 -9.3646 -1.0836 -1.0836 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6455 1.6455 1.8995 1.8995 2.1355 2.1355 2.6707 2.6707 2.9077 2.9077 3.2461 3.2461 3.6326 3.6326 3.7500 3.7500 5.4041 5.4041 5.8850 5.8850 7.5523 7.5523 7.6866 7.6866 12.0414 12.0414 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1338 -11.1338 -10.3231 -10.3231 -9.7745 -9.7745 -9.3646 -9.3646 -1.0836 -1.0836 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6455 1.6455 1.8995 1.8995 2.1355 2.1355 2.6707 2.6707 2.9077 2.9077 3.2461 3.2461 3.6326 3.6326 3.7500 3.7500 5.4041 5.4041 5.8850 5.8850 7.5523 7.5523 7.6866 7.6866 12.0414 12.0414 k =-0.4884 0.4884-0.0000 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1340 -11.1340 -10.3230 -10.3230 -9.7740 -9.7740 -9.3649 -9.3649 -1.0833 -1.0833 -0.7169 -0.7169 -0.3618 -0.3618 0.7167 0.7167 1.2164 1.2164 1.6454 1.6454 1.9016 1.9016 2.1356 2.1356 2.6692 2.6692 2.9048 2.9048 3.2479 3.2479 3.6333 3.6333 3.7500 3.7500 5.4037 5.4037 5.8842 5.8842 7.5544 7.5544 7.6884 7.6884 12.0429 12.0429 k =-0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1346 -11.1346 -10.3227 -10.3227 -9.7725 -9.7725 -9.3659 -9.3659 -1.0826 -1.0826 -0.7167 -0.7167 -0.3581 -0.3581 0.7104 0.7104 1.2151 1.2151 1.6451 1.6451 1.9076 1.9076 2.1358 2.1358 2.6648 2.6648 2.8962 2.8962 3.2532 3.2532 3.6353 3.6353 3.7500 3.7500 5.4026 5.4026 5.8821 5.8821 7.5603 7.5603 7.6941 7.6941 12.0475 12.0475 k =-0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1346 -11.1346 -10.3227 -10.3227 -9.7725 -9.7725 -9.3659 -9.3659 -1.0826 -1.0826 -0.7167 -0.7167 -0.3581 -0.3581 0.7104 0.7104 1.2151 1.2151 1.6451 1.6451 1.9076 1.9076 2.1358 2.1358 2.6648 2.6648 2.8962 2.8962 3.2532 3.2532 3.6353 3.6353 3.7500 3.7500 5.4026 5.4026 5.8821 5.8821 7.5603 7.5603 7.6941 7.6941 12.0475 12.0475 k =-0.4767 0.5006 0.0179 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1338 -11.1338 -10.3229 -10.3229 -9.7724 -9.7724 -9.3656 -9.3656 -1.0814 -1.0814 -0.7168 -0.7168 -0.3580 -0.3580 0.7111 0.7111 1.2113 1.2113 1.6389 1.6389 1.9088 1.9088 2.1377 2.1377 2.6637 2.6637 2.8978 2.8978 3.2530 3.2530 3.6273 3.6273 3.7615 3.7615 5.4014 5.4014 5.8811 5.8811 7.5597 7.5597 7.6933 7.6933 12.0485 12.0485 k =-0.4767 0.5006 0.0359 ( 5468 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1315 -11.1315 -10.3236 -10.3236 -9.7718 -9.7718 -9.3649 -9.3649 -1.0781 -1.0781 -0.7171 -0.7171 -0.3579 -0.3579 0.7133 0.7133 1.1999 1.1999 1.6202 1.6202 1.9124 1.9124 2.1434 2.1434 2.6604 2.6604 2.9027 2.9027 3.2525 3.2525 3.6087 3.6087 3.7902 3.7902 5.3978 5.3978 5.8783 5.8783 7.5579 7.5579 7.6914 7.6914 12.0513 12.0513 k =-0.4767 0.5006 0.0538 ( 5468 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4300 -37.4300 -37.2710 -37.2710 -11.1277 -11.1277 -10.3247 -10.3247 -9.7709 -9.7709 -9.3636 -9.3636 -1.0725 -1.0725 -0.7176 -0.7176 -0.3576 -0.3576 0.7170 0.7170 1.1815 1.1815 1.5896 1.5896 1.9188 1.9188 2.1524 2.1524 2.6550 2.6550 2.9109 2.9109 3.2515 3.2515 3.5859 3.5859 3.8292 3.8292 5.3918 5.3918 5.8736 5.8736 7.5541 7.5541 7.6890 7.6890 12.0559 12.0559 k =-0.4767 0.5006 0.0718 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4301 -37.4301 -37.2711 -37.2711 -11.1224 -11.1224 -10.3261 -10.3261 -9.7696 -9.7696 -9.3618 -9.3618 -1.0647 -1.0647 -0.7182 -0.7182 -0.3574 -0.3574 0.7220 0.7220 1.1567 1.1567 1.5477 1.5477 1.9282 1.9282 2.1642 2.1642 2.6477 2.6477 2.9223 2.9223 3.2502 3.2502 3.5613 3.5613 3.8748 3.8748 5.3835 5.3835 5.8671 5.8671 7.5477 7.5477 7.6874 7.6874 12.0621 12.0621 k =-0.4767 0.5006 0.0897 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4302 -37.4302 -37.2713 -37.2713 -11.1155 -11.1155 -10.3280 -10.3280 -9.7679 -9.7679 -9.3596 -9.3596 -1.0547 -1.0547 -0.7189 -0.7189 -0.3571 -0.3571 0.7284 0.7284 1.1261 1.1261 1.4956 1.4956 1.9405 1.9405 2.1782 2.1782 2.6385 2.6385 2.9368 2.9368 3.2484 3.2484 3.5353 3.5353 3.9254 3.9254 5.3731 5.3731 5.8588 5.8588 7.5377 7.5377 7.6876 7.6876 12.0696 12.0696 k =-0.4767 0.5006 0.1077 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4303 -37.4303 -37.2715 -37.2715 -11.1072 -11.1072 -10.3304 -10.3304 -9.7659 -9.7659 -9.3568 -9.3568 -1.0427 -1.0427 -0.7194 -0.7194 -0.3569 -0.3569 0.7359 0.7359 1.0906 1.0906 1.4348 1.4348 1.9555 1.9555 2.1936 2.1936 2.6279 2.6279 2.9544 2.9544 3.2461 3.2461 3.5080 3.5080 3.9797 3.9797 5.3605 5.3605 5.8489 5.8489 7.5238 7.5238 7.6906 7.6906 12.0779 12.0779 k =-0.4767 0.5006 0.1256 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4305 -37.4305 -37.2717 -37.2717 -11.0974 -11.0974 -10.3331 -10.3331 -9.7635 -9.7635 -9.3536 -9.3536 -1.0286 -1.0286 -0.7198 -0.7198 -0.3568 -0.3568 0.7443 0.7443 1.0512 1.0512 1.3667 1.3667 1.9729 1.9729 2.2101 2.2101 2.6159 2.6159 2.9748 2.9748 3.2433 3.2433 3.4791 3.4791 4.0366 4.0366 5.3459 5.3459 5.8373 5.8373 7.5061 7.5061 7.6968 7.6968 12.0867 12.0867 k =-0.4767 0.5006 0.1435 ( 5460 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4307 -37.4307 -37.2719 -37.2719 -11.0862 -11.0862 -10.3361 -10.3361 -9.7609 -9.7609 -9.3499 -9.3499 -1.0125 -1.0125 -0.7198 -0.7198 -0.3570 -0.3570 0.7531 0.7531 1.0089 1.0089 1.2929 1.2929 1.9920 1.9920 2.2272 2.2272 2.6029 2.6029 2.9978 2.9978 3.2400 3.2400 3.4486 3.4486 4.0951 4.0951 5.3294 5.3294 5.8241 5.8241 7.4854 7.4854 7.7060 7.7060 12.0954 12.0954 k =-0.4767 0.5006 0.1615 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5215 -49.5215 -37.4309 -37.4309 -37.2722 -37.2722 -11.0737 -11.0737 -10.3396 -10.3396 -9.7579 -9.7579 -9.3458 -9.3458 -0.9945 -0.9945 -0.7193 -0.7193 -0.3576 -0.3576 0.7613 0.7613 0.9651 0.9651 1.2151 1.2151 2.0123 2.0123 2.2446 2.2446 2.5892 2.5892 3.0231 3.0231 3.2362 3.2362 3.4166 3.4166 4.1540 4.1540 5.3113 5.3113 5.8095 5.8095 7.4625 7.4625 7.7179 7.7179 12.1032 12.1032 k =-0.4767 0.5006 0.1794 ( 5470 PWs) bands (ev): -81.1252 -81.1252 -49.5216 -49.5216 -37.4312 -37.4312 -37.2726 -37.2726 -11.0598 -11.0598 -10.3434 -10.3434 -9.7546 -9.7546 -9.3413 -9.3413 -0.9748 -0.9748 -0.7181 -0.7181 -0.3587 -0.3587 0.7665 0.7665 0.9220 0.9220 1.1349 1.1349 2.0327 2.0327 2.2620 2.2620 2.5755 2.5755 3.0503 3.0503 3.2319 3.2319 3.3830 3.3830 4.2126 4.2126 5.2917 5.2917 5.7936 5.7936 7.4383 7.4383 7.7323 7.7323 12.1094 12.1094 k =-0.4767 0.5006 0.1974 ( 5479 PWs) bands (ev): -81.1252 -81.1252 -49.5217 -49.5217 -37.4314 -37.4314 -37.2729 -37.2729 -11.0446 -11.0446 -10.3475 -10.3475 -9.7511 -9.7511 -9.3363 -9.3363 -0.9535 -0.9535 -0.7161 -0.7161 -0.3606 -0.3606 0.7631 0.7631 0.8845 0.8845 1.0550 1.0550 2.0522 2.0522 2.2794 2.2794 2.5624 2.5624 3.0789 3.0789 3.2270 3.2270 3.3482 3.3482 4.2700 4.2700 5.2708 5.2708 5.7765 5.7765 7.4136 7.4136 7.7487 7.7487 12.1132 12.1132 k =-0.4767 0.5006 0.2153 ( 5475 PWs) bands (ev): -81.1252 -81.1252 -49.5218 -49.5218 -37.4317 -37.4317 -37.2733 -37.2733 -11.0282 -11.0282 -10.3519 -10.3519 -9.7473 -9.7473 -9.3310 -9.3310 -0.9308 -0.9308 -0.7130 -0.7130 -0.3635 -0.3635 0.7421 0.7421 0.8575 0.8575 0.9810 0.9810 2.0695 2.0695 2.2963 2.2963 2.5513 2.5513 3.1082 3.1082 3.2218 3.2218 3.3125 3.3125 4.3254 4.3254 5.2489 5.2489 5.7584 5.7584 7.3893 7.3893 7.7670 7.7670 12.1137 12.1137 k =-0.4767 0.5006 0.2333 ( 5471 PWs) bands (ev): -81.1251 -81.1251 -49.5219 -49.5219 -37.4320 -37.4320 -37.2736 -37.2736 -11.0106 -11.0106 -10.3566 -10.3566 -9.7433 -9.7433 -9.3253 -9.3253 -0.9068 -0.9068 -0.7086 -0.7086 -0.3677 -0.3677 0.7022 0.7022 0.8261 0.8261 0.9303 0.9303 2.0831 2.0831 2.3127 2.3127 2.5434 2.5434 3.1367 3.1367 3.2167 3.2167 3.2769 3.2769 4.3783 4.3783 5.2261 5.2261 5.7393 5.7393 7.3659 7.3659 7.7869 7.7869 12.1099 12.1099 k =-0.4767 0.5006 0.2512 ( 5464 PWs) bands (ev): -81.1251 -81.1251 -49.5220 -49.5220 -37.4324 -37.4324 -37.2740 -37.2740 -10.9919 -10.9919 -10.3616 -10.3616 -9.7391 -9.7391 -9.3192 -9.3192 -0.8819 -0.8819 -0.7026 -0.7026 -0.3738 -0.3738 0.6509 0.6509 0.7680 0.7680 0.9193 0.9193 2.0913 2.0913 2.3279 2.3279 2.5407 2.5407 3.1602 3.1602 3.2123 3.2123 3.2446 3.2446 4.4280 4.4280 5.2027 5.2027 5.7193 5.7193 7.3441 7.3441 7.8083 7.8083 12.1010 12.1010 k =-0.4767 0.5006 0.2691 ( 5472 PWs) bands (ev): -81.1251 -81.1251 -49.5221 -49.5221 -37.4327 -37.4327 -37.2744 -37.2744 -10.9721 -10.9721 -10.3669 -10.3669 -9.7347 -9.7347 -9.3129 -9.3129 -0.8564 -0.8564 -0.6949 -0.6949 -0.3822 -0.3822 0.5934 0.5934 0.6981 0.6981 0.9293 0.9293 2.0925 2.0925 2.3417 2.3417 2.5447 2.5447 3.1661 3.1661 3.2001 3.2001 3.2368 3.2368 4.4740 4.4740 5.1791 5.1791 5.6987 5.6987 7.3244 7.3244 7.8308 7.8308 12.0862 12.0862 k =-0.4767 0.5006 0.2871 ( 5467 PWs) bands (ev): -81.1251 -81.1251 -49.5222 -49.5222 -37.4331 -37.4331 -37.2748 -37.2748 -10.9514 -10.9514 -10.3723 -10.3723 -9.7301 -9.7301 -9.3062 -9.3062 -0.8305 -0.8305 -0.6849 -0.6849 -0.3936 -0.3936 0.5320 0.5320 0.6286 0.6286 0.9472 0.9472 2.0858 2.0858 2.3539 2.3539 2.5563 2.5563 3.1444 3.1444 3.1852 3.1852 3.2583 3.2583 4.5158 4.5158 5.1554 5.1554 5.6776 5.6776 7.3071 7.3071 7.8544 7.8544 12.0649 12.0649 k =-0.4767 0.5006 0.3050 ( 5468 PWs) bands (ev): -81.1251 -81.1251 -49.5223 -49.5223 -37.4335 -37.4335 -37.2753 -37.2753 -10.9298 -10.9298 -10.3779 -10.3779 -9.7255 -9.7255 -9.2993 -9.2993 -0.8048 -0.8048 -0.6724 -0.6724 -0.4087 -0.4087 0.4687 0.4687 0.5627 0.5627 0.9691 0.9691 2.0706 2.0706 2.3651 2.3651 2.5753 2.5753 3.1102 3.1102 3.1743 3.1743 3.2872 3.2872 4.5530 4.5530 5.1321 5.1321 5.6561 5.6561 7.2925 7.2925 7.8789 7.8789 12.0370 12.0370 k =-0.4767 0.5006 0.3230 ( 5468 PWs) bands (ev): -81.1250 -81.1250 -49.5224 -49.5224 -37.4339 -37.4339 -37.2757 -37.2757 -10.9074 -10.9074 -10.3837 -10.3837 -9.7207 -9.7207 -9.2922 -9.2922 -0.7798 -0.7798 -0.6570 -0.6570 -0.4283 -0.4283 0.4059 0.4059 0.5008 0.5008 0.9936 0.9936 2.0474 2.0474 2.3758 2.3758 2.6006 2.6006 3.0737 3.0737 3.1631 3.1631 3.3178 3.3178 4.5854 4.5854 5.1095 5.1095 5.6344 5.6344 7.2811 7.2811 7.9041 7.9041 12.0025 12.0025 k =-0.4767 0.5006 0.3409 ( 5475 PWs) bands (ev): -81.1250 -81.1250 -49.5226 -49.5226 -37.4343 -37.4343 -37.2762 -37.2762 -10.8843 -10.8843 -10.3897 -10.3897 -9.7159 -9.7159 -9.2849 -9.2849 -0.7556 -0.7556 -0.6386 -0.6386 -0.4533 -0.4533 0.3461 0.3461 0.4425 0.4425 1.0202 1.0202 2.0170 2.0170 2.3863 2.3863 2.6305 2.6305 3.0373 3.0373 3.1508 3.1508 3.3485 3.3485 4.6125 4.6125 5.0877 5.0877 5.6125 5.6125 7.2730 7.2730 7.9299 7.9299 11.9617 11.9617 k =-0.4767 0.5006 0.3588 ( 5481 PWs) bands (ev): -81.1250 -81.1250 -49.5227 -49.5227 -37.4347 -37.4347 -37.2766 -37.2766 -10.8605 -10.8605 -10.3957 -10.3957 -9.7111 -9.7111 -9.2774 -9.2774 -0.7326 -0.7326 -0.6173 -0.6173 -0.4843 -0.4843 0.2911 0.2911 0.3874 0.3874 1.0486 1.0486 1.9804 1.9804 2.3970 2.3970 2.6637 2.6637 3.0020 3.0020 3.1372 3.1372 3.3785 3.3785 4.6342 4.6342 5.0673 5.0673 5.5906 5.5906 7.2683 7.2683 7.9561 7.9561 11.9155 11.9155 k =-0.4767 0.5006 0.3768 ( 5483 PWs) bands (ev): -81.1250 -81.1250 -49.5228 -49.5228 -37.4352 -37.4352 -37.2771 -37.2771 -10.8362 -10.8362 -10.4018 -10.4018 -9.7062 -9.7062 -9.2698 -9.2698 -0.7105 -0.7105 -0.5936 -0.5936 -0.5212 -0.5212 0.2420 0.2420 0.3356 0.3356 1.0784 1.0784 1.9385 1.9385 2.4079 2.4079 2.6988 2.6988 2.9684 2.9684 3.1224 3.1224 3.4075 3.4075 4.6504 4.6504 5.0483 5.0483 5.5688 5.5688 7.2670 7.2670 7.9826 7.9826 11.8647 11.8647 k =-0.4767 0.5006 0.3947 ( 5483 PWs) bands (ev): -81.1250 -81.1250 -49.5230 -49.5230 -37.4356 -37.4356 -37.2775 -37.2775 -10.8115 -10.8115 -10.4079 -10.4079 -9.7014 -9.7014 -9.2621 -9.2621 -0.6893 -0.6893 -0.5751 -0.5751 -0.5566 -0.5566 0.1983 0.1983 0.2879 0.2879 1.1095 1.1095 1.8923 1.8923 2.4189 2.4189 2.7343 2.7343 2.9377 2.9377 3.1063 3.1063 3.4351 3.4351 4.6610 4.6610 5.0311 5.0311 5.5472 5.5472 7.2692 7.2692 8.0092 8.0092 11.8104 11.8104 k =-0.4767 0.5006 0.4127 ( 5479 PWs) bands (ev): -81.1250 -81.1250 -49.5231 -49.5231 -37.4361 -37.4361 -37.2780 -37.2780 -10.7865 -10.7865 -10.4141 -10.4141 -9.6967 -9.6967 -9.2543 -9.2543 -0.6709 -0.6709 -0.6132 -0.6132 -0.5372 -0.5372 0.1584 0.1584 0.2458 0.2458 1.1419 1.1419 1.8424 1.8424 2.4299 2.4299 2.7681 2.7681 2.9114 2.9114 3.0890 3.0890 3.4611 3.4611 4.6663 4.6663 5.0156 5.0156 5.5258 5.5258 7.2749 7.2749 8.0358 8.0358 11.7537 11.7537 k =-0.4767 0.5006 0.4306 ( 5486 PWs) bands (ev): -81.1249 -81.1249 -49.5232 -49.5232 -37.4365 -37.4365 -37.2784 -37.2784 -10.7613 -10.7613 -10.4202 -10.4202 -9.6920 -9.6920 -9.2465 -9.2465 -0.6828 -0.6828 -0.6331 -0.6331 -0.5092 -0.5092 0.1198 0.1198 0.2115 0.2115 1.1752 1.1752 1.7894 1.7894 2.4409 2.4409 2.7952 2.7952 2.8943 2.8943 3.0705 3.0705 3.4853 3.4853 4.6664 4.6664 5.0018 5.0018 5.5049 5.5049 7.2839 7.2839 8.0623 8.0623 11.6959 11.6959 k =-0.4767 0.5006 0.4486 ( 5486 PWs) bands (ev): -81.1249 -81.1249 -49.5233 -49.5233 -37.4370 -37.4370 -37.2788 -37.2788 -10.7359 -10.7359 -10.4263 -10.4263 -9.6875 -9.6875 -9.2388 -9.2388 -0.7361 -0.7361 -0.6148 -0.6148 -0.4808 -0.4808 0.0805 0.0805 0.1860 0.1860 1.2094 1.2094 1.7340 1.7340 2.4518 2.4518 2.8053 2.8053 2.8965 2.8965 3.0509 3.0509 3.5075 3.5075 4.6619 4.6619 4.9895 4.9895 5.4844 5.4844 7.2960 7.2960 8.0885 8.0885 11.6378 11.6378 k =-0.4767 0.5006 0.4665 ( 5487 PWs) bands (ev): -81.1249 -81.1249 -49.5235 -49.5235 -37.4375 -37.4375 -37.2793 -37.2793 -10.7107 -10.7107 -10.4323 -10.4323 -9.6831 -9.6831 -9.2311 -9.2311 -0.7962 -0.7962 -0.5912 -0.5912 -0.4526 -0.4526 0.0403 0.0403 0.1690 0.1690 1.2443 1.2443 1.6768 1.6768 2.4625 2.4625 2.7976 2.7976 2.9180 2.9180 3.0308 3.0308 3.5276 3.5276 4.6533 4.6533 4.9785 4.9785 5.4643 5.4643 7.3111 7.3111 8.1142 8.1142 11.5805 11.5805 k =-0.4767 0.5006 0.4844 ( 5487 PWs) bands (ev): -81.1249 -81.1249 -49.5236 -49.5236 -37.4379 -37.4379 -37.2797 -37.2797 -10.6856 -10.6856 -10.4382 -10.4382 -9.6789 -9.6789 -9.2235 -9.2235 -0.8585 -0.8585 -0.5657 -0.5657 -0.4253 -0.4253 0.0001 0.0001 0.1586 0.1586 1.2792 1.2792 1.6184 1.6184 2.4729 2.4729 2.7836 2.7836 2.9448 2.9448 3.0127 3.0127 3.5455 3.5455 4.6410 4.6410 4.9686 4.9686 5.4449 5.4449 7.3289 7.3289 8.1395 8.1395 11.5247 11.5247 k =-0.4767 0.5006 0.5024 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5237 -49.5237 -37.4384 -37.4384 -37.2800 -37.2800 -10.6608 -10.6608 -10.4439 -10.4439 -9.6749 -9.6749 -9.2161 -9.2161 -0.9213 -0.9213 -0.5385 -0.5385 -0.3993 -0.3993 -0.0390 -0.0390 0.1533 0.1533 1.3133 1.3133 1.5601 1.5601 2.4829 2.4829 2.7699 2.7699 2.9578 2.9578 3.0093 3.0093 3.5612 3.5612 4.6256 4.6256 4.9596 4.9596 5.4261 5.4261 7.3491 7.3491 8.1641 8.1641 11.4712 11.4712 k =-0.4767 0.5006 0.5203 ( 5480 PWs) bands (ev): -81.1248 -81.1248 -49.5238 -49.5238 -37.4388 -37.4388 -37.2804 -37.2804 -10.6364 -10.6364 -10.4495 -10.4495 -9.6712 -9.6712 -9.2088 -9.2088 -0.9838 -0.9838 -0.5100 -0.5100 -0.3751 -0.3751 -0.0762 -0.0762 0.1517 0.1517 1.3433 1.3433 1.5053 1.5053 2.4926 2.4926 2.7583 2.7583 2.9434 2.9434 3.0320 3.0320 3.5746 3.5746 4.6074 4.6074 4.9514 4.9514 5.4080 5.4080 7.3714 7.3714 8.1879 8.1879 11.4204 11.4204 k =-0.4767 0.5006 0.5383 ( 5480 PWs) bands (ev): -81.1248 -81.1248 -49.5240 -49.5240 -37.4392 -37.4392 -37.2808 -37.2808 -10.6126 -10.6126 -10.4548 -10.4548 -9.6676 -9.6676 -9.2018 -9.2018 -1.0451 -1.0451 -0.4801 -0.4801 -0.3534 -0.3534 -0.1104 -0.1104 0.1530 0.1530 1.3564 1.3564 1.4671 1.4671 2.5018 2.5018 2.7498 2.7498 2.9193 2.9193 3.0623 3.0623 3.5858 3.5858 4.5868 4.5868 4.9438 4.9438 5.3908 5.3908 7.3955 7.3955 8.2109 8.2109 11.3729 11.3729 k =-0.4767 0.5006 0.5562 ( 5476 PWs) bands (ev): -81.1248 -81.1248 -49.5241 -49.5241 -37.4397 -37.4397 -37.2811 -37.2811 -10.5896 -10.5896 -10.4598 -10.4598 -9.6643 -9.6643 -9.1950 -9.1950 -1.1045 -1.1045 -0.4492 -0.4492 -0.3351 -0.3351 -0.1405 -0.1405 0.1563 0.1563 1.3290 1.3290 1.4693 1.4693 2.5105 2.5105 2.7445 2.7445 2.8922 2.8922 3.0933 3.0933 3.5950 3.5950 4.5639 4.5639 4.9369 4.9369 5.3745 5.3745 7.4210 7.4210 8.2329 8.2329 11.3288 11.3288 k =-0.4767 0.5006 0.5742 ( 5474 PWs) bands (ev): -81.1248 -81.1248 -49.5242 -49.5242 -37.4401 -37.4401 -37.2814 -37.2814 -10.5674 -10.5674 -10.4645 -10.4645 -9.6613 -9.6613 -9.1884 -9.1884 -1.1615 -1.1615 -0.4178 -0.4178 -0.3213 -0.3213 -0.1647 -0.1647 0.1610 0.1610 1.2757 1.2757 1.4972 1.4972 2.5187 2.5187 2.7426 2.7426 2.8634 2.8634 3.1233 3.1233 3.6021 3.6021 4.5392 4.5392 4.9307 4.9307 5.3591 5.3591 7.4474 7.4474 8.2539 8.2539 11.2884 11.2884 k =-0.4767 0.5006 0.5921 ( 5471 PWs) bands (ev): -81.1248 -81.1248 -49.5243 -49.5243 -37.4404 -37.4404 -37.2817 -37.2817 -10.5465 -10.5465 -10.4687 -10.4687 -9.6585 -9.6585 -9.1823 -9.1823 -1.2157 -1.2157 -0.3877 -0.3877 -0.3126 -0.3126 -0.1807 -0.1807 0.1668 0.1668 1.2155 1.2155 1.5323 1.5323 2.5265 2.5265 2.7438 2.7438 2.8335 2.8335 3.1519 3.1519 3.6075 3.6075 4.5127 4.5127 4.9253 4.9253 5.3449 5.3449 7.4743 7.4743 8.2737 8.2737 11.2519 11.2519 k =-0.4767 0.5006 0.6100 ( 5476 PWs) bands (ev): -81.1248 -81.1248 -49.5244 -49.5244 -37.4408 -37.4408 -37.2820 -37.2820 -10.5271 -10.5271 -10.4721 -10.4721 -9.6561 -9.6561 -9.1764 -9.1764 -1.2667 -1.2667 -0.3644 -0.3644 -0.3050 -0.3050 -0.1871 -0.1871 0.1733 0.1733 1.1533 1.1533 1.5696 1.5696 2.5339 2.5339 2.7479 2.7479 2.8029 2.8029 3.1787 3.1787 3.6112 3.6112 4.4848 4.4848 4.9207 4.9207 5.3318 5.3318 7.5013 7.5013 8.2924 8.2924 11.2193 11.2193 k =-0.4767 0.5006 0.6280 ( 5476 PWs) bands (ev): -81.1247 -81.1247 -49.5244 -49.5244 -37.4412 -37.4412 -37.2823 -37.2823 -10.5101 -10.5101 -10.4740 -10.4740 -9.6539 -9.6539 -9.1710 -9.1710 -1.3142 -1.3142 -0.3587 -0.3587 -0.2864 -0.2864 -0.1854 -0.1854 0.1800 0.1800 1.0909 1.0909 1.6074 1.6074 2.5409 2.5409 2.7539 2.7539 2.7725 2.7725 3.2036 3.2036 3.6136 3.6136 4.4560 4.4560 4.9168 4.9168 5.3199 5.3199 7.5279 7.5279 8.3097 8.3097 11.1906 11.1906 k =-0.4767 0.5006 0.6459 ( 5467 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4415 -37.4415 -37.2825 -37.2825 -10.4980 -10.4980 -10.4720 -10.4720 -9.6519 -9.6519 -9.1659 -9.1659 -1.3579 -1.3579 -0.3678 -0.3678 -0.2565 -0.2565 -0.1786 -0.1786 0.1870 0.1870 1.0292 1.0292 1.6450 1.6450 2.5476 2.5476 2.7391 2.7391 2.7650 2.7650 3.2265 3.2265 3.6147 3.6147 4.4267 4.4267 4.9136 4.9136 5.3092 5.3092 7.5537 7.5537 8.3256 8.3256 11.1655 11.1655 k =-0.4767 0.5006 0.6639 ( 5462 PWs) bands (ev): -81.1247 -81.1247 -49.5246 -49.5246 -37.4417 -37.4417 -37.2827 -37.2827 -10.4938 -10.4938 -10.4633 -10.4633 -9.6502 -9.6502 -9.1614 -9.1614 -1.3976 -1.3976 -0.3822 -0.3822 -0.2231 -0.2231 -0.1692 -0.1692 0.1939 0.1939 0.9689 0.9689 1.6817 1.6817 2.5538 2.5538 2.7086 2.7086 2.7750 2.7750 3.2471 3.2471 3.6150 3.6150 4.3975 4.3975 4.9112 4.9112 5.2999 5.2999 7.5782 7.5782 8.3401 8.3401 11.1441 11.1441 k =-0.4767 0.5006 0.6818 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4420 -37.4420 -37.2829 -37.2829 -10.4942 -10.4942 -10.4513 -10.4513 -9.6488 -9.6488 -9.1573 -9.1573 -1.4331 -1.4331 -0.3976 -0.3976 -0.1907 -0.1907 -0.1573 -0.1573 0.2007 0.2007 0.9106 0.9106 1.7171 1.7171 2.5596 2.5596 2.6784 2.6784 2.7865 2.7865 3.2655 3.2655 3.6145 3.6145 4.3691 4.3691 4.9092 4.9092 5.2917 5.2917 7.6011 7.6011 8.3530 8.3530 11.1260 11.1260 k =-0.4767 0.5006 0.6998 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4422 -37.4422 -37.2831 -37.2831 -10.4957 -10.4957 -10.4394 -10.4394 -9.6476 -9.6476 -9.1537 -9.1537 -1.4642 -1.4642 -0.4122 -0.4122 -0.1663 -0.1663 -0.1381 -0.1381 0.2075 0.2075 0.8553 0.8553 1.7504 1.7504 2.5648 2.5648 2.6496 2.6496 2.7985 2.7985 3.2816 3.2816 3.6135 3.6135 4.3421 4.3421 4.9078 4.9078 5.2848 5.2848 7.6218 7.6218 8.3644 8.3644 11.1111 11.1111 k =-0.4767 0.5006 0.7177 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4424 -37.4424 -37.2832 -37.2832 -10.4974 -10.4974 -10.4287 -10.4287 -9.6466 -9.6466 -9.1506 -9.1506 -1.4907 -1.4907 -0.4253 -0.4253 -0.1535 -0.1535 -0.1100 -0.1100 0.2142 0.2142 0.8038 0.8038 1.7810 1.7810 2.5693 2.5693 2.6230 2.6230 2.8103 2.8103 3.2953 3.2953 3.6123 3.6123 4.3175 4.3175 4.9067 4.9067 5.2791 5.2791 7.6401 7.6401 8.3741 8.3741 11.0991 11.0991 k =-0.4767 0.5006 0.7356 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4426 -37.4426 -37.2833 -37.2833 -10.4990 -10.4990 -10.4198 -10.4198 -9.6458 -9.6458 -9.1480 -9.1480 -1.5126 -1.5126 -0.4363 -0.4363 -0.1454 -0.1454 -0.0812 -0.0812 0.2208 0.2208 0.7575 0.7575 1.8080 1.8080 2.5727 2.5727 2.5996 2.5996 2.8212 2.8212 3.3065 3.3065 3.6111 3.6111 4.2958 4.2958 4.9060 4.9060 5.2745 5.2745 7.6555 7.6555 8.3822 8.3822 11.0897 11.0897 k =-0.4767 0.5006 0.7536 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4427 -37.4427 -37.2834 -37.2834 -10.5003 -10.5003 -10.4126 -10.4126 -9.6453 -9.6453 -9.1460 -9.1460 -1.5297 -1.5297 -0.4451 -0.4451 -0.1397 -0.1397 -0.0559 -0.0559 0.2270 0.2270 0.7180 0.7180 1.8304 1.8304 2.5721 2.5721 2.5833 2.5833 2.8305 2.8305 3.3153 3.3153 3.6099 3.6099 4.2781 4.2781 4.9054 4.9054 5.2710 5.2710 7.6678 7.6678 8.3885 8.3885 11.0827 11.0827 k =-0.4767 0.5006 0.7715 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4428 -37.4428 -37.2835 -37.2835 -10.5012 -10.5012 -10.4075 -10.4075 -9.6449 -9.6449 -9.1446 -9.1446 -1.5419 -1.5419 -0.4515 -0.4515 -0.1357 -0.1357 -0.0362 -0.0362 0.2325 0.2325 0.6873 0.6873 1.8474 1.8474 2.5613 2.5613 2.5812 2.5812 2.8376 2.8376 3.3217 3.3217 3.6089 3.6089 4.2648 4.2648 4.9051 4.9051 5.2685 5.2685 7.6767 7.6767 8.3930 8.3930 11.0779 11.0779 k =-0.4767 0.5006 0.7895 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5018 -10.5018 -10.4043 -10.4043 -9.6446 -9.6446 -9.1437 -9.1437 -1.5493 -1.5493 -0.4554 -0.4554 -0.1333 -0.1333 -0.0237 -0.0237 0.2363 0.2363 0.6677 0.6677 1.8580 1.8580 2.5523 2.5523 2.5820 2.5820 2.8421 2.8421 3.3255 3.3255 3.6083 3.6083 4.2567 4.2567 4.9049 4.9049 5.2670 5.2670 7.6822 7.6822 8.3957 8.3957 11.0751 11.0751 k =-0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4033 -10.4033 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0195 -0.0195 0.2377 0.2377 0.6609 0.6609 1.8617 1.8617 2.5491 2.5491 2.5824 2.5824 2.8436 2.8436 3.3267 3.3267 3.6081 3.6081 4.2539 4.2539 4.9049 4.9049 5.2666 5.2666 7.6841 7.6841 8.3966 8.3966 11.0741 11.0741 k =-0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4033 -10.4033 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0195 -0.0195 0.2377 0.2377 0.6609 0.6609 1.8617 1.8617 2.5491 2.5491 2.5824 2.5824 2.8436 2.8436 3.3267 3.3267 3.6081 3.6081 4.2539 4.2539 4.9049 4.9049 5.2666 5.2666 7.6841 7.6841 8.3966 8.3966 11.0741 11.0741 k =-0.4884 0.4884 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5022 -10.5022 -10.4031 -10.4031 -9.6457 -9.6457 -9.1419 -9.1419 -1.5534 -1.5534 -0.4573 -0.4573 -0.1363 -0.1363 -0.0211 -0.0211 0.2352 0.2352 0.6610 0.6610 1.8629 1.8629 2.5515 2.5515 2.5924 2.5924 2.8472 2.8472 3.3268 3.3268 3.6111 3.6111 4.2537 4.2537 4.9045 4.9045 5.2668 5.2668 7.6841 7.6841 8.3912 8.3912 11.0672 11.0672 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5022 -10.5022 -10.4030 -10.4030 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4576 -0.4576 -0.1376 -0.1376 -0.0217 -0.0217 0.2344 0.2344 0.6610 0.6610 1.8633 1.8633 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6120 3.6120 4.2536 4.2536 4.9043 4.9043 5.2668 5.2668 7.6841 7.6841 8.3894 8.3894 11.0649 11.0649 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5022 -10.5022 -10.4030 -10.4030 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4576 -0.4576 -0.1376 -0.1376 -0.0217 -0.0217 0.2344 0.2344 0.6610 0.6610 1.8633 1.8633 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6120 3.6120 4.2536 4.2536 4.9043 4.9043 5.2668 5.2668 7.6841 7.6841 8.3894 8.3894 11.0649 11.0649 k =-0.5000 0.4762 0.7895 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4041 -10.4041 -9.6462 -9.6462 -9.1417 -9.1417 -1.5515 -1.5515 -0.4563 -0.4563 -0.1384 -0.1384 -0.0259 -0.0259 0.2330 0.2330 0.6678 0.6678 1.8597 1.8597 2.5554 2.5554 2.5953 2.5953 2.8468 2.8468 3.3255 3.3255 3.6122 3.6122 4.2564 4.2564 4.9044 4.9044 5.2673 5.2673 7.6823 7.6823 8.3885 8.3885 11.0658 11.0658 k =-0.5000 0.4762 0.7715 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4428 -37.4428 -37.2835 -37.2835 -10.5014 -10.5014 -10.4072 -10.4072 -9.6464 -9.6464 -9.1425 -9.1425 -1.5441 -1.5441 -0.4524 -0.4524 -0.1407 -0.1407 -0.0384 -0.0384 0.2292 0.2292 0.6874 0.6874 1.8492 1.8492 2.5647 2.5647 2.5942 2.5942 2.8423 2.8423 3.3216 3.3216 3.6128 3.6128 4.2647 4.2647 4.9046 4.9046 5.2689 5.2689 7.6768 7.6768 8.3857 8.3857 11.0686 11.0686 k =-0.5000 0.4762 0.7536 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4427 -37.4427 -37.2834 -37.2834 -10.5005 -10.5005 -10.4123 -10.4123 -9.6468 -9.6468 -9.1440 -9.1440 -1.5318 -1.5318 -0.4461 -0.4461 -0.1447 -0.1447 -0.0580 -0.0580 0.2237 0.2237 0.7180 0.7180 1.8323 1.8323 2.5783 2.5783 2.5934 2.5934 2.8351 2.8351 3.3152 3.3152 3.6137 3.6137 4.2780 4.2780 4.9049 4.9049 5.2714 5.2714 7.6678 7.6678 8.3811 8.3811 11.0734 11.0734 k =-0.5000 0.4762 0.7356 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4426 -37.4426 -37.2833 -37.2833 -10.4992 -10.4992 -10.4195 -10.4195 -9.6474 -9.6474 -9.1460 -9.1460 -1.5147 -1.5147 -0.4373 -0.4373 -0.1502 -0.1502 -0.0833 -0.0833 0.2175 0.2175 0.7574 0.7574 1.8100 1.8100 2.5852 2.5852 2.6033 2.6033 2.8257 2.8257 3.3063 3.3063 3.6148 3.6148 4.2958 4.2958 4.9054 4.9054 5.2750 5.2750 7.6555 7.6555 8.3747 8.3747 11.0804 11.0804 k =-0.5000 0.4762 0.7177 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5248 -49.5248 -37.4424 -37.4424 -37.2832 -37.2832 -10.4976 -10.4976 -10.4284 -10.4284 -9.6482 -9.6482 -9.1485 -9.1485 -1.4929 -1.4929 -0.4263 -0.4263 -0.1579 -0.1579 -0.1123 -0.1123 0.2110 0.2110 0.8037 0.8037 1.7831 1.7831 2.5824 2.5824 2.6258 2.6258 2.8147 2.8147 3.2948 3.2948 3.6160 3.6160 4.3176 4.3176 4.9062 4.9062 5.2797 5.2797 7.6401 7.6401 8.3666 8.3666 11.0898 11.0898 k =-0.5000 0.4762 0.6998 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4422 -37.4422 -37.2831 -37.2831 -10.4959 -10.4959 -10.4391 -10.4391 -9.6492 -9.6492 -9.1516 -9.1516 -1.4663 -1.4663 -0.4133 -0.4133 -0.1697 -0.1697 -0.1413 -0.1413 0.2044 0.2044 0.8551 0.8551 1.7527 1.7527 2.5780 2.5780 2.6522 2.6522 2.8027 2.8027 3.2809 3.2809 3.6171 3.6171 4.3424 4.3424 4.9073 4.9073 5.2856 5.2856 7.6218 7.6218 8.3567 8.3567 11.1018 11.1018 k =-0.5000 0.4762 0.6818 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5247 -49.5247 -37.4420 -37.4420 -37.2829 -37.2829 -10.4944 -10.4944 -10.4510 -10.4510 -9.6504 -9.6504 -9.1553 -9.1553 -1.4353 -1.4353 -0.3987 -0.3987 -0.1923 -0.1923 -0.1619 -0.1619 0.1977 0.1977 0.9104 0.9104 1.7195 1.7195 2.5728 2.5728 2.6809 2.6809 2.7905 2.7905 3.2646 3.2646 3.6180 3.6180 4.3695 4.3695 4.9087 4.9087 5.2926 5.2926 7.6010 7.6010 8.3452 8.3452 11.1167 11.1167 k =-0.5000 0.4762 0.6639 ( 5472 PWs) bands (ev): -81.1247 -81.1247 -49.5246 -49.5246 -37.4418 -37.4418 -37.2827 -37.2827 -10.4940 -10.4940 -10.4630 -10.4630 -9.6518 -9.6518 -9.1594 -9.1594 -1.3998 -1.3998 -0.3835 -0.3835 -0.2243 -0.2243 -0.1740 -0.1740 0.1909 0.1909 0.9687 0.9687 1.6843 1.6843 2.5669 2.5669 2.7109 2.7109 2.7788 2.7788 3.2460 3.2460 3.6183 3.6183 4.3981 4.3981 4.9106 4.9106 5.3009 5.3009 7.5781 7.5781 8.3321 8.3321 11.1347 11.1347 k =-0.5000 0.4762 0.6459 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5245 -49.5245 -37.4415 -37.4415 -37.2825 -37.2825 -10.4980 -10.4980 -10.4719 -10.4719 -9.6535 -9.6535 -9.1640 -9.1640 -1.3601 -1.3601 -0.3693 -0.3693 -0.2577 -0.2577 -0.1831 -0.1831 0.1841 0.1841 1.0290 1.0290 1.6477 1.6477 2.5607 2.5607 2.7414 2.7414 2.7685 2.7685 3.2250 3.2250 3.6179 3.6179 4.4275 4.4275 4.9131 4.9131 5.3105 5.3105 7.5535 7.5535 8.3174 8.3174 11.1561 11.1561 k =-0.5000 0.4762 0.6280 ( 5470 PWs) bands (ev): -81.1247 -81.1247 -49.5244 -49.5244 -37.4411 -37.4411 -37.2823 -37.2823 -10.5098 -10.5098 -10.4742 -10.4742 -9.6555 -9.6555 -9.1690 -9.1690 -1.3164 -1.3164 -0.3604 -0.3604 -0.2877 -0.2877 -0.1893 -0.1893 0.1772 0.1772 1.0908 1.0908 1.6102 1.6102 2.5540 2.5540 2.7573 2.7573 2.7746 2.7746 3.2019 3.2019 3.6166 3.6166 4.4570 4.4570 4.9163 4.9163 5.3213 5.3213 7.5276 7.5276 8.3013 8.3013 11.1811 11.1811 k =-0.5000 0.4762 0.6100 ( 5474 PWs) bands (ev): -81.1248 -81.1248 -49.5244 -49.5244 -37.4408 -37.4408 -37.2820 -37.2820 -10.5267 -10.5267 -10.4723 -10.4723 -9.6577 -9.6577 -9.1745 -9.1745 -1.2690 -1.2690 -0.3661 -0.3661 -0.3070 -0.3070 -0.1903 -0.1903 0.1705 0.1705 1.1532 1.1532 1.5725 1.5725 2.5470 2.5470 2.7511 2.7511 2.8049 2.8049 3.1766 3.1766 3.6141 3.6141 4.4860 4.4860 4.9202 4.9202 5.3334 5.3334 7.5009 7.5009 8.2837 8.2837 11.2099 11.2099 k =-0.5000 0.4762 0.5921 ( 5466 PWs) bands (ev): -81.1248 -81.1248 -49.5243 -49.5243 -37.4404 -37.4404 -37.2817 -37.2817 -10.5460 -10.5460 -10.4689 -10.4689 -9.6602 -9.6602 -9.1804 -9.1804 -1.2180 -1.2180 -0.3890 -0.3890 -0.3157 -0.3157 -0.1830 -0.1830 0.1642 0.1642 1.2155 1.2155 1.5354 1.5354 2.5397 2.5397 2.7467 2.7467 2.8354 2.8354 3.1494 3.1494 3.6101 3.6101 4.5140 4.5140 4.9248 4.9248 5.3467 5.3467 7.4739 7.4739 8.2648 8.2648 11.2425 11.2425 k =-0.5000 0.4762 0.5742 ( 5466 PWs) bands (ev): -81.1248 -81.1248 -49.5242 -49.5242 -37.4401 -37.4401 -37.2814 -37.2814 -10.5670 -10.5670 -10.4647 -10.4647 -9.6630 -9.6630 -9.1866 -9.1866 -1.1638 -1.1638 -0.4189 -0.4189 -0.3250 -0.3250 -0.1662 -0.1662 0.1585 0.1585 1.2760 1.2760 1.5003 1.5003 2.5319 2.5319 2.7451 2.7451 2.8653 2.8653 3.1204 3.1204 3.6045 3.6045 4.5407 4.5407 4.9302 4.9302 5.3611 5.3611 7.4470 7.4470 8.2447 8.2447 11.2790 11.2790 k =-0.5000 0.4762 0.5562 ( 5474 PWs) bands (ev): -81.1248 -81.1248 -49.5241 -49.5241 -37.4397 -37.4397 -37.2811 -37.2811 -10.5891 -10.5891 -10.4600 -10.4600 -9.6660 -9.6660 -9.1931 -9.1931 -1.1068 -1.1068 -0.4502 -0.4502 -0.3392 -0.3392 -0.1416 -0.1416 0.1537 0.1537 1.3297 1.3297 1.4720 1.4720 2.5237 2.5237 2.7467 2.7467 2.8941 2.8941 3.0899 3.0899 3.5972 3.5972 4.5657 4.5657 4.9364 4.9364 5.3766 5.3766 7.4205 7.4205 8.2235 8.2235 11.3193 11.3193 k =-0.5000 0.4762 0.5383 ( 5482 PWs) bands (ev): -81.1248 -81.1248 -49.5240 -49.5240 -37.4393 -37.4393 -37.2808 -37.2808 -10.6121 -10.6121 -10.4550 -10.4550 -9.6693 -9.6693 -9.1999 -9.1999 -1.0475 -1.0475 -0.4810 -0.4810 -0.3577 -0.3577 -0.1112 -0.1112 0.1505 0.1505 1.3588 1.3588 1.4685 1.4685 2.5150 2.5150 2.7517 2.7517 2.9213 2.9213 3.0584 3.0584 3.5878 3.5878 4.5886 4.5886 4.9433 4.9433 5.3932 5.3932 7.3950 7.3950 8.2011 8.2011 11.3633 11.3633 k =-0.5000 0.4762 0.5203 ( 5488 PWs) bands (ev): -81.1248 -81.1248 -49.5238 -49.5238 -37.4388 -37.4388 -37.2804 -37.2804 -10.6359 -10.6359 -10.4497 -10.4497 -9.6729 -9.6729 -9.2070 -9.2070 -0.9863 -0.9863 -0.5108 -0.5108 -0.3793 -0.3793 -0.0767 -0.0767 0.1492 0.1492 1.3468 1.3468 1.5058 1.5058 2.5058 2.5058 2.7599 2.7599 2.9456 2.9456 3.0275 3.0275 3.5764 3.5764 4.6094 4.6094 4.9509 4.9509 5.4105 5.4105 7.3709 7.3709 8.1778 8.1778 11.4109 11.4109 k =-0.5000 0.4762 0.5024 ( 5482 PWs) bands (ev): -81.1249 -81.1249 -49.5237 -49.5237 -37.4384 -37.4384 -37.2800 -37.2800 -10.6602 -10.6602 -10.4442 -10.4442 -9.6767 -9.6767 -9.2143 -9.2143 -0.9239 -0.9239 -0.5393 -0.5393 -0.4034 -0.4034 -0.0394 -0.0394 0.1508 0.1508 1.3172 1.3172 1.5604 1.5604 2.4961 2.4961 2.7712 2.7712 2.9595 2.9595 3.0049 3.0049 3.5627 3.5627 4.6277 4.6277 4.9592 4.9592 5.4288 5.4288 7.3486 7.3486 8.1537 8.1537 11.4616 11.4616 k =-0.5000 0.4762 0.4844 ( 5486 PWs) bands (ev): -81.1249 -81.1249 -49.5236 -49.5236 -37.4379 -37.4379 -37.2797 -37.2797 -10.6850 -10.6850 -10.4385 -10.4385 -9.6807 -9.6807 -9.2218 -9.2218 -0.8612 -0.8612 -0.5664 -0.5664 -0.4293 -0.4293 -0.0000 -0.0000 0.1561 0.1561 1.2834 1.2834 1.6187 1.6187 2.4860 2.4860 2.7845 2.7845 2.9434 2.9434 3.0111 3.0111 3.5469 3.5469 4.6432 4.6432 4.9683 4.9683 5.4477 5.4477 7.3283 7.3283 8.1288 8.1288 11.5151 11.5151 k =-0.5000 0.4762 0.4665 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5235 -49.5235 -37.4375 -37.4375 -37.2793 -37.2793 -10.7101 -10.7101 -10.4326 -10.4326 -9.6849 -9.6849 -9.2294 -9.2294 -0.7991 -0.7991 -0.5919 -0.5919 -0.4564 -0.4564 0.0403 0.0403 0.1664 0.1664 1.2486 1.2486 1.6772 1.6772 2.4755 2.4755 2.7978 2.7978 2.9155 2.9155 3.0304 3.0304 3.5288 3.5288 4.6554 4.6554 4.9784 4.9784 5.4673 5.4673 7.3105 7.3105 8.1032 8.1032 11.5708 11.5708 k =-0.5000 0.4762 0.4486 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5233 -49.5233 -37.4370 -37.4370 -37.2788 -37.2788 -10.7353 -10.7353 -10.4266 -10.4266 -9.6893 -9.6893 -9.2371 -9.2371 -0.7392 -0.7392 -0.6153 -0.6153 -0.4844 -0.4844 0.0807 0.0807 0.1835 0.1835 1.2140 1.2140 1.7347 1.7347 2.4648 2.4648 2.8042 2.8042 2.8944 2.8944 3.0507 3.0507 3.5086 3.5086 4.6639 4.6639 4.9895 4.9895 5.4874 5.4874 7.2954 7.2954 8.0771 8.0771 11.6280 11.6280 k =-0.5000 0.4762 0.4306 ( 5484 PWs) bands (ev): -81.1249 -81.1249 -49.5232 -49.5232 -37.4366 -37.4366 -37.2784 -37.2784 -10.7606 -10.7606 -10.4205 -10.4205 -9.6938 -9.6938 -9.2449 -9.2449 -0.6863 -0.6863 -0.6333 -0.6333 -0.5127 -0.5127 0.1201 0.1201 0.2089 0.2089 1.1799 1.1799 1.7902 1.7902 2.4537 2.4537 2.7919 2.7919 2.8938 2.8938 3.0703 3.0703 3.4862 3.4862 4.6683 4.6683 5.0020 5.0020 5.5080 5.5080 7.2833 7.2833 8.0506 8.0506 11.6860 11.6860 k =-0.5000 0.4762 0.4127 ( 5480 PWs) bands (ev): -81.1250 -81.1250 -49.5231 -49.5231 -37.4361 -37.4361 -37.2780 -37.2780 -10.7858 -10.7858 -10.4144 -10.4144 -9.6985 -9.6985 -9.2527 -9.2527 -0.6730 -0.6730 -0.6147 -0.6147 -0.5407 -0.5407 0.1586 0.1586 0.2435 0.2435 1.1467 1.1467 1.8433 1.8433 2.4426 2.4426 2.7636 2.7636 2.9116 2.9116 3.0888 3.0888 3.4619 3.4619 4.6680 4.6680 5.0160 5.0160 5.5291 5.5291 7.2743 7.2743 8.0239 8.0239 11.7437 11.7437 k =-0.5000 0.4762 0.3947 ( 5476 PWs) bands (ev): -81.1250 -81.1250 -49.5230 -49.5230 -37.4356 -37.4356 -37.2775 -37.2775 -10.8108 -10.8108 -10.4082 -10.4082 -9.7032 -9.7032 -9.2605 -9.2605 -0.6908 -0.6908 -0.5746 -0.5746 -0.5627 -0.5627 0.1984 0.1984 0.2858 0.2858 1.1145 1.1145 1.8934 1.8934 2.4313 2.4313 2.7291 2.7291 2.9382 2.9382 3.1060 3.1060 3.4359 3.4359 4.6625 4.6625 5.0318 5.0318 5.5504 5.5504 7.2687 7.2687 7.9970 7.9970 11.8003 11.8003 k =-0.5000 0.4762 0.3768 ( 5480 PWs) bands (ev): -81.1250 -81.1250 -49.5228 -49.5228 -37.4352 -37.4352 -37.2771 -37.2771 -10.8355 -10.8355 -10.4021 -10.4021 -9.7081 -9.7081 -9.2682 -9.2682 -0.7119 -0.7119 -0.5952 -0.5952 -0.5253 -0.5253 0.2421 0.2421 0.3338 0.3338 1.0836 1.0836 1.9397 1.9397 2.4201 2.4201 2.6932 2.6932 2.9692 2.9692 3.1219 3.1219 3.4081 3.4081 4.6516 4.6516 5.0492 5.0492 5.5721 5.5721 7.2665 7.2665 7.9700 7.9700 11.8545 11.8545 k =-0.5000 0.4762 0.3588 ( 5476 PWs) bands (ev): -81.1250 -81.1250 -49.5227 -49.5227 -37.4347 -37.4347 -37.2766 -37.2766 -10.8598 -10.8598 -10.3960 -10.3960 -9.7129 -9.7129 -9.2758 -9.2758 -0.7340 -0.7340 -0.6189 -0.6189 -0.4884 -0.4884 0.2912 0.2912 0.3859 0.3859 1.0539 1.0539 1.9817 1.9817 2.4090 2.4090 2.6579 2.6579 3.0029 3.0029 3.1364 3.1364 3.3791 3.3791 4.6352 4.6352 5.0684 5.0684 5.5939 5.5939 7.2677 7.2677 7.9433 7.9433 11.9054 11.9054 k =-0.5000 0.4762 0.3409 ( 5466 PWs) bands (ev): -81.1250 -81.1250 -49.5226 -49.5226 -37.4343 -37.4343 -37.2762 -37.2762 -10.8835 -10.8835 -10.3899 -10.3899 -9.7178 -9.7178 -9.2833 -9.2833 -0.7571 -0.7571 -0.6400 -0.6400 -0.4575 -0.4575 0.3461 0.3461 0.4412 0.4412 1.0258 1.0258 2.0184 2.0184 2.3980 2.3980 2.6245 2.6245 3.0387 3.0387 3.1496 3.1496 3.3489 3.3489 4.6133 4.6133 5.0891 5.0891 5.6158 5.6158 7.2725 7.2725 7.9168 7.9168 11.9517 11.9517 k =-0.5000 0.4762 0.3230 ( 5464 PWs) bands (ev): -81.1250 -81.1250 -49.5224 -49.5224 -37.4339 -37.4339 -37.2757 -37.2757 -10.9066 -10.9066 -10.3840 -10.3840 -9.7226 -9.7226 -9.2907 -9.2907 -0.7813 -0.7813 -0.6582 -0.6582 -0.4326 -0.4326 0.4059 0.4059 0.4997 0.4997 0.9993 0.9993 2.0487 2.0487 2.3871 2.3871 2.5946 2.5946 3.0757 3.0757 3.1615 3.1615 3.3179 3.3179 4.5860 4.5860 5.1110 5.1110 5.6377 5.6377 7.2807 7.2807 7.8908 7.8908 11.9925 11.9925 k =-0.5000 0.4762 0.3050 ( 5476 PWs) bands (ev): -81.1251 -81.1251 -49.5223 -49.5223 -37.4335 -37.4335 -37.2753 -37.2753 -10.9291 -10.9291 -10.3782 -10.3782 -9.7273 -9.7273 -9.2978 -9.2978 -0.8064 -0.8064 -0.6734 -0.6734 -0.4131 -0.4131 0.4687 0.4687 0.5618 0.5618 0.9749 0.9749 2.0716 2.0716 2.3761 2.3761 2.5697 2.5697 3.1136 3.1136 3.1719 3.1719 3.2866 3.2866 4.5535 4.5535 5.1337 5.1337 5.6595 5.6595 7.2921 7.2921 7.8653 7.8653 12.0272 12.0272 k =-0.5000 0.4762 0.2871 ( 5472 PWs) bands (ev): -81.1251 -81.1251 -49.5222 -49.5222 -37.4331 -37.4331 -37.2749 -37.2749 -10.9507 -10.9507 -10.3726 -10.3726 -9.7320 -9.7320 -9.3048 -9.3048 -0.8321 -0.8321 -0.6858 -0.6858 -0.3981 -0.3981 0.5320 0.5320 0.6279 0.6279 0.9531 0.9531 2.0862 2.0862 2.3645 2.3645 2.5513 2.5513 3.1514 3.1514 3.1806 3.1806 3.2561 3.2561 4.5161 4.5161 5.1571 5.1571 5.6809 5.6809 7.3066 7.3066 7.8406 7.8406 12.0554 12.0554 k =-0.5000 0.4762 0.2691 ( 5458 PWs) bands (ev): -81.1251 -81.1251 -49.5221 -49.5221 -37.4327 -37.4327 -37.2744 -37.2744 -10.9714 -10.9714 -10.3672 -10.3672 -9.7365 -9.7365 -9.3114 -9.3114 -0.8579 -0.8579 -0.6956 -0.6956 -0.3868 -0.3868 0.5936 0.5936 0.6977 0.6977 0.9352 0.9352 2.0922 2.0922 2.3516 2.3516 2.5405 2.5405 3.1799 3.1799 3.1931 3.1931 3.2302 3.2302 4.4742 4.4742 5.1809 5.1809 5.7020 5.7020 7.3240 7.3240 7.8169 7.8169 12.0769 12.0769 k =-0.5000 0.4762 0.2512 ( 5462 PWs) bands (ev): -81.1251 -81.1251 -49.5220 -49.5220 -37.4324 -37.4324 -37.2740 -37.2740 -10.9911 -10.9911 -10.3619 -10.3619 -9.7409 -9.7409 -9.3178 -9.3178 -0.8834 -0.8834 -0.7033 -0.7033 -0.3784 -0.3784 0.6514 0.6514 0.7680 0.7680 0.9249 0.9249 2.0900 2.0900 2.3371 2.3371 2.5377 2.5377 3.1711 3.1711 3.2107 3.2107 3.2354 3.2354 4.4281 4.4281 5.2045 5.2045 5.7226 5.7226 7.3438 7.3438 7.7942 7.7942 12.0921 12.0921 k =-0.5000 0.4762 0.2333 ( 5466 PWs) bands (ev): -81.1251 -81.1251 -49.5219 -49.5219 -37.4320 -37.4320 -37.2736 -37.2736 -11.0098 -11.0098 -10.3569 -10.3569 -9.7452 -9.7452 -9.3239 -9.3239 -0.9083 -0.9083 -0.7091 -0.7091 -0.3724 -0.3724 0.7033 0.7033 0.8273 0.8273 0.9344 0.9344 2.0808 2.0808 2.3212 2.3212 2.5417 2.5417 3.1455 3.1455 3.2137 3.2137 3.2712 3.2712 4.3783 4.3783 5.2279 5.2279 5.7425 5.7425 7.3656 7.3656 7.7727 7.7727 12.1013 12.1013 k =-0.5000 0.4762 0.2153 ( 5470 PWs) bands (ev): -81.1251 -81.1251 -49.5218 -49.5218 -37.4317 -37.4317 -37.2733 -37.2733 -11.0274 -11.0274 -10.3522 -10.3522 -9.7492 -9.7492 -9.3296 -9.3296 -0.9322 -0.9322 -0.7135 -0.7135 -0.3682 -0.3682 0.7447 0.7447 0.8597 0.8597 0.9828 0.9828 2.0661 2.0661 2.3042 2.3042 2.5507 2.5507 3.1162 3.1162 3.2184 3.2184 3.3082 3.3082 4.3254 4.3254 5.2507 5.2507 5.7615 5.7615 7.3889 7.3889 7.7527 7.7527 12.1055 12.1055 k =-0.5000 0.4762 0.1974 ( 5478 PWs) bands (ev): -81.1252 -81.1252 -49.5217 -49.5217 -37.4314 -37.4314 -37.2729 -37.2729 -11.0438 -11.0438 -10.3478 -10.3478 -9.7530 -9.7530 -9.3350 -9.3350 -0.9549 -0.9549 -0.7165 -0.7165 -0.3654 -0.3654 0.7678 0.7678 0.8859 0.8859 1.0559 1.0559 2.0478 2.0478 2.2865 2.2865 2.5630 2.5630 3.0867 3.0867 3.2232 3.2232 3.3446 3.3446 4.2699 4.2699 5.2726 5.2726 5.7797 5.7797 7.4131 7.4131 7.7344 7.7344 12.1054 12.1054 k =-0.5000 0.4762 0.1794 ( 5470 PWs) bands (ev): -81.1252 -81.1252 -49.5216 -49.5216 -37.4312 -37.4312 -37.2726 -37.2726 -11.0590 -11.0590 -10.3437 -10.3437 -9.7565 -9.7565 -9.3399 -9.3399 -0.9761 -0.9761 -0.7185 -0.7185 -0.3635 -0.3635 0.7727 0.7727 0.9226 0.9226 1.1356 1.1356 2.0274 2.0274 2.2684 2.2684 2.5770 2.5770 3.0583 3.0583 3.2276 3.2276 3.3798 3.3798 4.2125 4.2125 5.2935 5.2935 5.7967 5.7967 7.4377 7.4377 7.7180 7.7180 12.1019 12.1019 k =-0.5000 0.4762 0.1615 ( 5474 PWs) bands (ev): -81.1252 -81.1252 -49.5215 -49.5215 -37.4309 -37.4309 -37.2722 -37.2722 -11.0728 -11.0728 -10.3399 -10.3399 -9.7598 -9.7598 -9.3445 -9.3445 -0.9957 -0.9957 -0.7197 -0.7197 -0.3624 -0.3624 0.7682 0.7682 0.9655 0.9655 1.2157 1.2157 2.0063 2.0063 2.2502 2.2502 2.5916 2.5916 3.0315 3.0315 3.2315 3.2315 3.4136 3.4136 4.1538 4.1538 5.3130 5.3130 5.8126 5.8126 7.4616 7.4616 7.7038 7.7038 12.0959 12.0959 k =-0.5000 0.4762 0.1435 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4307 -37.4307 -37.2719 -37.2719 -11.0854 -11.0854 -10.3364 -10.3364 -9.7628 -9.7628 -9.3486 -9.3486 -1.0136 -1.0136 -0.7201 -0.7201 -0.3619 -0.3619 0.7605 0.7605 1.0094 1.0094 1.2935 1.2935 1.9854 1.9854 2.2320 2.2320 2.6060 2.6060 3.0066 3.0066 3.2349 3.2349 3.4459 3.4459 4.0948 4.0948 5.3311 5.3311 5.8271 5.8271 7.4842 7.4842 7.6922 7.6922 12.0884 12.0884 k =-0.5000 0.4762 0.1256 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5214 -49.5214 -37.4305 -37.4305 -37.2717 -37.2717 -11.0966 -11.0966 -10.3334 -10.3334 -9.7654 -9.7654 -9.3523 -9.3523 -1.0297 -1.0297 -0.7201 -0.7201 -0.3617 -0.3617 0.7520 0.7520 1.0518 1.0518 1.3673 1.3673 1.9658 1.9658 2.2141 2.2141 2.6196 2.6196 2.9841 2.9841 3.2378 3.2378 3.4765 3.4765 4.0364 4.0364 5.3475 5.3475 5.8402 5.8402 7.5043 7.5043 7.6835 7.6835 12.0800 12.0800 k =-0.5000 0.4762 0.1077 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4303 -37.4303 -37.2715 -37.2715 -11.1064 -11.1064 -10.3307 -10.3307 -9.7678 -9.7678 -9.3555 -9.3555 -1.0437 -1.0437 -0.7197 -0.7197 -0.3618 -0.3618 0.7438 0.7438 1.0914 1.0914 1.4354 1.4354 1.9480 1.9480 2.1967 2.1967 2.6322 2.6322 2.9642 2.9642 3.2402 3.2402 3.5055 3.5055 3.9794 3.9794 5.3621 5.3621 5.8518 5.8518 7.5210 7.5210 7.6781 7.6781 12.0714 12.0714 k =-0.5000 0.4762 0.0897 ( 5466 PWs) bands (ev): -81.1252 -81.1252 -49.5213 -49.5213 -37.4302 -37.4302 -37.2713 -37.2713 -11.1147 -11.1147 -10.3284 -10.3284 -9.7698 -9.7698 -9.3583 -9.3583 -1.0558 -1.0558 -0.7192 -0.7192 -0.3620 -0.3620 0.7365 0.7365 1.1271 1.1271 1.4962 1.4962 1.9326 1.9326 2.1804 2.1804 2.6433 2.6433 2.9471 2.9471 3.2421 3.2421 3.5329 3.5329 3.9251 3.9251 5.3747 5.3747 5.8618 5.8618 7.5338 7.5338 7.6762 7.6762 12.0632 12.0632 k =-0.5000 0.4762 0.0718 ( 5456 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4301 -37.4301 -37.2711 -37.2711 -11.1215 -11.1215 -10.3265 -10.3265 -9.7715 -9.7715 -9.3605 -9.3605 -1.0657 -1.0657 -0.7185 -0.7185 -0.3623 -0.3623 0.7303 0.7303 1.1579 1.1579 1.5482 1.5482 1.9202 1.9202 2.1657 2.1657 2.6528 2.6528 2.9330 2.9330 3.2436 3.2436 3.5589 3.5589 3.8744 3.8744 5.3851 5.3851 5.8700 5.8700 7.5426 7.5426 7.6772 7.6772 12.0558 12.0558 k =-0.5000 0.4762 0.0538 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4300 -37.4300 -37.2710 -37.2710 -11.1269 -11.1269 -10.3250 -10.3250 -9.7728 -9.7728 -9.3623 -9.3623 -1.0735 -1.0735 -0.7179 -0.7179 -0.3626 -0.3626 0.7253 0.7253 1.1829 1.1829 1.5901 1.5901 1.9107 1.9107 2.1533 2.1533 2.6605 2.6605 2.9220 2.9220 3.2448 3.2448 3.5835 3.5835 3.8288 3.8288 5.3933 5.3933 5.8765 5.8765 7.5478 7.5478 7.6799 7.6799 12.0497 12.0497 k =-0.5000 0.4762 0.0359 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1307 -11.1307 -10.3239 -10.3239 -9.7737 -9.7737 -9.3636 -9.3636 -1.0791 -1.0791 -0.7174 -0.7174 -0.3628 -0.3628 0.7217 0.7217 1.2015 1.2015 1.6207 1.6207 1.9043 1.9043 2.1437 2.1437 2.6661 2.6661 2.9141 2.9141 3.2456 3.2456 3.6063 3.6063 3.7900 3.7900 5.3993 5.3993 5.8812 5.8812 7.5507 7.5507 7.6832 7.6832 12.0452 12.0452 k =-0.5000 0.4762 0.0179 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2709 -37.2709 -11.1330 -11.1330 -10.3233 -10.3233 -9.7743 -9.7743 -9.3644 -9.3644 -1.0824 -1.0824 -0.7171 -0.7171 -0.3630 -0.3630 0.7196 0.7196 1.2129 1.2129 1.6393 1.6393 1.9007 1.9007 2.1376 2.1376 2.6696 2.6696 2.9093 2.9093 3.2460 3.2460 3.6247 3.6247 3.7614 3.7614 5.4029 5.4029 5.8840 5.8840 7.5520 7.5520 7.6857 7.6857 12.0424 12.0424 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1252 -81.1252 -49.5212 -49.5212 -37.4299 -37.4299 -37.2708 -37.2708 -11.1338 -11.1338 -10.3231 -10.3231 -9.7745 -9.7745 -9.3646 -9.3646 -1.0836 -1.0836 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6455 1.6455 1.8995 1.8995 2.1355 2.1355 2.6707 2.6707 2.9077 2.9077 3.2461 3.2461 3.6326 3.6326 3.7500 3.7500 5.4041 5.4041 5.8850 5.8850 7.5523 7.5523 7.6866 7.6866 12.0414 12.0414 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4593 -10.4593 -10.4542 -10.4542 -9.7028 -9.7028 -9.0953 -9.0953 -1.3837 -1.3837 -0.3007 -0.3007 -0.0292 -0.0292 0.4176 0.4176 0.6607 0.6607 0.6944 0.6944 1.4139 1.4139 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0659 3.0659 3.1080 3.1080 4.2610 4.2610 5.1105 5.1105 5.6809 5.6809 7.6123 7.6123 7.7897 7.7897 12.0986 12.0986 k =-0.0132 0.0125 0.8074 ( 5484 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4601 -10.4601 -10.4534 -10.4534 -9.7027 -9.7027 -9.0954 -9.0954 -1.3839 -1.3839 -0.3014 -0.3014 -0.0301 -0.0301 0.4180 0.4180 0.6597 0.6597 0.6945 0.6945 1.4146 1.4146 2.0223 2.0223 2.0637 2.0637 2.5706 2.5706 3.0668 3.0668 3.1078 3.1078 4.2611 4.2611 5.1103 5.1103 5.6801 5.6801 7.6127 7.6127 7.7904 7.7904 12.0973 12.0973 k =-0.0263 0.0251 0.8074 ( 5488 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4618 -10.4618 -10.4517 -10.4517 -9.7024 -9.7024 -9.0957 -9.0957 -1.3847 -1.3847 -0.3035 -0.3035 -0.0326 -0.0326 0.4191 0.4191 0.6567 0.6567 0.6945 0.6945 1.4167 1.4167 2.0252 2.0252 2.0682 2.0682 2.5709 2.5709 3.0695 3.0695 3.1071 3.1071 4.2614 4.2614 5.1097 5.1097 5.6776 5.6776 7.6138 7.6138 7.7925 7.7925 12.0931 12.0931 k =-0.0395 0.0376 0.8074 ( 5496 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4638 -10.4638 -10.4496 -10.4496 -9.7019 -9.7019 -9.0961 -9.0961 -1.3859 -1.3859 -0.3069 -0.3069 -0.0368 -0.0368 0.4209 0.4209 0.6518 0.6518 0.6946 0.6946 1.4202 1.4202 2.0301 2.0301 2.0756 2.0756 2.5715 2.5715 3.0740 3.0740 3.1060 3.1060 4.2619 4.2619 5.1086 5.1086 5.6734 5.6734 7.6157 7.6157 7.7961 7.7961 12.0862 12.0862 k =-0.0526 0.0501 0.8074 ( 5494 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4658 -10.4658 -10.4475 -10.4475 -9.7013 -9.7013 -9.0966 -9.0966 -1.3877 -1.3877 -0.3115 -0.3115 -0.0425 -0.0425 0.4232 0.4232 0.6450 0.6450 0.6947 0.6947 1.4250 1.4250 2.0369 2.0369 2.0857 2.0857 2.5723 2.5723 3.0803 3.0803 3.1046 3.1046 4.2626 4.2626 5.1071 5.1071 5.6676 5.6676 7.6181 7.6181 7.8011 7.8011 12.0762 12.0762 k =-0.0658 0.0627 0.8074 ( 5498 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4678 -10.4678 -10.4454 -10.4454 -9.7004 -9.7004 -9.0973 -9.0973 -1.3899 -1.3899 -0.3171 -0.3171 -0.0498 -0.0498 0.4257 0.4257 0.6366 0.6366 0.6947 0.6947 1.4312 1.4312 2.0455 2.0455 2.0986 2.0986 2.5733 2.5733 3.0883 3.0883 3.1030 3.1030 4.2635 4.2635 5.1052 5.1052 5.6602 5.6602 7.6211 7.6211 7.8078 7.8078 12.0631 12.0631 k =-0.0789 0.0752 0.8074 ( 5490 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4698 -10.4698 -10.4432 -10.4432 -9.6994 -9.6994 -9.0982 -9.0982 -1.3927 -1.3927 -0.3235 -0.3235 -0.0584 -0.0584 0.4282 0.4282 0.6268 0.6268 0.6947 0.6947 1.4388 1.4388 2.0557 2.0557 2.1140 2.1140 2.5745 2.5745 3.0978 3.0978 3.1015 3.1015 4.2645 4.2645 5.1030 5.1030 5.6514 5.6514 7.6245 7.6245 7.8160 7.8160 12.0466 12.0466 k =-0.0921 0.0877 0.8074 ( 5502 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2836 -37.2836 -10.4718 -10.4718 -10.4411 -10.4411 -9.6982 -9.6982 -9.0991 -9.0991 -1.3959 -1.3959 -0.3306 -0.3306 -0.0682 -0.0682 0.4302 0.4302 0.6158 0.6158 0.6945 0.6945 1.4477 1.4477 2.0676 2.0676 2.1316 2.1316 2.5760 2.5760 3.0998 3.0998 3.1093 3.1093 4.2655 4.2655 5.1003 5.1003 5.6411 5.6411 7.6281 7.6281 7.8259 7.8259 12.0267 12.0267 k =-0.1053 0.1002 0.8074 ( 5494 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4737 -10.4737 -10.4389 -10.4389 -9.6969 -9.6969 -9.1003 -9.1003 -1.3996 -1.3996 -0.3379 -0.3379 -0.0792 -0.0792 0.4316 0.4316 0.6038 0.6038 0.6942 0.6942 1.4578 1.4578 2.0810 2.0810 2.1514 2.1514 2.5776 2.5776 3.0985 3.0985 3.1222 3.1222 4.2667 4.2667 5.0972 5.0972 5.6294 5.6294 7.6318 7.6318 7.8375 7.8375 12.0033 12.0033 k =-0.1184 0.1128 0.8074 ( 5492 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4756 -10.4756 -10.4368 -10.4368 -9.6954 -9.6954 -9.1015 -9.1015 -1.4038 -1.4038 -0.3455 -0.3455 -0.0912 -0.0912 0.4319 0.4319 0.5912 0.5912 0.6936 0.6936 1.4691 1.4691 2.0958 2.0958 2.1731 2.1731 2.5795 2.5795 3.0977 3.0977 3.1365 3.1365 4.2679 4.2679 5.0936 5.0936 5.6165 5.6165 7.6356 7.6356 7.8509 7.8509 11.9764 11.9764 k =-0.1316 0.1253 0.8074 ( 5492 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4775 -10.4775 -10.4347 -10.4347 -9.6937 -9.6937 -9.1029 -9.1029 -1.4084 -1.4084 -0.3529 -0.3529 -0.1040 -0.1040 0.4307 0.4307 0.5783 0.5783 0.6927 0.6927 1.4816 1.4816 2.1118 2.1118 2.1964 2.1964 2.5816 2.5816 3.0976 3.0976 3.1522 3.1522 4.2690 4.2690 5.0897 5.0897 5.6024 5.6024 7.6393 7.6393 7.8659 7.8659 11.9460 11.9460 k =-0.1447 0.1378 0.8074 ( 5492 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4792 -10.4792 -10.4327 -10.4327 -9.6919 -9.6919 -9.1043 -9.1043 -1.4135 -1.4135 -0.3602 -0.3602 -0.1175 -0.1175 0.4277 0.4277 0.5654 0.5654 0.6916 0.6916 1.4951 1.4951 2.1289 2.1289 2.2211 2.2211 2.5840 2.5840 3.0982 3.0982 3.1692 3.1692 4.2702 4.2702 5.0854 5.0854 5.5873 5.5873 7.6430 7.6430 7.8826 7.8826 11.9125 11.9125 k =-0.1579 0.1504 0.8074 ( 5492 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4810 -10.4810 -10.4307 -10.4307 -9.6900 -9.6900 -9.1059 -9.1059 -1.4190 -1.4190 -0.3670 -0.3670 -0.1316 -0.1316 0.4226 0.4226 0.5528 0.5528 0.6901 0.6901 1.5097 1.5097 2.1470 2.1470 2.2470 2.2470 2.5866 2.5866 3.0997 3.0997 3.1874 3.1874 4.2712 4.2712 5.0806 5.0806 5.5712 5.5712 7.6465 7.6465 7.9008 7.9008 11.8760 11.8760 k =-0.1711 0.1629 0.8074 ( 5484 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4826 -10.4826 -10.4287 -10.4287 -9.6880 -9.6880 -9.1075 -9.1075 -1.4248 -1.4248 -0.3733 -0.3733 -0.1460 -0.1460 0.4152 0.4152 0.5406 0.5406 0.6883 0.6883 1.5251 1.5251 2.1660 2.1660 2.2738 2.2738 2.5895 2.5895 3.1023 3.1023 3.2066 3.2066 4.2722 4.2722 5.0755 5.0755 5.5544 5.5544 7.6498 7.6498 7.9204 7.9204 11.8369 11.8369 k =-0.1842 0.1754 0.8074 ( 5480 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4842 -10.4842 -10.4268 -10.4268 -9.6859 -9.6859 -9.1092 -9.1092 -1.4310 -1.4310 -0.3789 -0.3789 -0.1606 -0.1606 0.4054 0.4054 0.5289 0.5289 0.6863 0.6863 1.5413 1.5413 2.1857 2.1857 2.3013 2.3013 2.5927 2.5927 3.1061 3.1061 3.2268 3.2268 4.2731 4.2731 5.0699 5.0699 5.5370 5.5370 7.6530 7.6530 7.9413 7.9413 11.7957 11.7957 k =-0.1974 0.1880 0.8074 ( 5486 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4858 -10.4858 -10.4250 -10.4250 -9.6837 -9.6837 -9.1110 -9.1110 -1.4375 -1.4375 -0.3838 -0.3838 -0.1752 -0.1752 0.3934 0.3934 0.5175 0.5175 0.6840 0.6840 1.5583 1.5583 2.2059 2.2059 2.3292 2.3292 2.5963 2.5963 3.1111 3.1111 3.2477 3.2477 4.2738 4.2738 5.0639 5.0639 5.5190 5.5190 7.6559 7.6559 7.9633 7.9633 11.7527 11.7527 k =-0.2105 0.2005 0.8074 ( 5478 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4872 -10.4872 -10.4232 -10.4232 -9.6815 -9.6815 -9.1128 -9.1128 -1.4443 -1.4443 -0.3879 -0.3879 -0.1897 -0.1897 0.3795 0.3795 0.5062 0.5062 0.6816 0.6816 1.5758 1.5758 2.2266 2.2266 2.3572 2.3572 2.6003 2.6003 3.1173 3.1173 3.2694 3.2694 4.2744 4.2744 5.0576 5.0576 5.5008 5.5008 7.6588 7.6588 7.9863 7.9863 11.7085 11.7085 k =-0.2237 0.2130 0.8074 ( 5470 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4886 -10.4886 -10.4214 -10.4214 -9.6792 -9.6792 -9.1147 -9.1147 -1.4513 -1.4513 -0.3913 -0.3913 -0.2039 -0.2039 0.3640 0.3640 0.4945 0.4945 0.6792 0.6792 1.5938 1.5938 2.2477 2.2477 2.3850 2.3850 2.6049 2.6049 3.1247 3.1247 3.2915 3.2915 4.2748 4.2748 5.0508 5.0508 5.4824 5.4824 7.6615 7.6615 8.0101 8.0101 11.6635 11.6635 k =-0.2368 0.2255 0.8074 ( 5458 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4899 -10.4899 -10.4198 -10.4198 -9.6769 -9.6769 -9.1166 -9.1166 -1.4584 -1.4584 -0.3939 -0.3939 -0.2174 -0.2174 0.3473 0.3473 0.4822 0.4822 0.6767 0.6767 1.6122 1.6122 2.2689 2.2689 2.4123 2.4123 2.6102 2.6102 3.1333 3.1333 3.3140 3.3140 4.2750 4.2750 5.0436 5.0436 5.4641 5.4641 7.6641 7.6641 8.0347 8.0347 11.6181 11.6181 k =-0.2500 0.2381 0.8074 ( 5462 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4912 -10.4912 -10.4182 -10.4182 -9.6746 -9.6746 -9.1185 -9.1185 -1.4656 -1.4656 -0.3959 -0.3959 -0.2302 -0.2302 0.3298 0.3298 0.4690 0.4690 0.6744 0.6744 1.6307 1.6307 2.2903 2.2903 2.4386 2.4386 2.6165 2.6165 3.1430 3.1430 3.3366 3.3366 4.2749 4.2749 5.0360 5.0360 5.4459 5.4459 7.6665 7.6665 8.0596 8.0596 11.5727 11.5727 k =-0.2632 0.2506 0.8074 ( 5466 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4924 -10.4924 -10.4166 -10.4166 -9.6722 -9.6722 -9.1204 -9.1204 -1.4729 -1.4729 -0.3974 -0.3974 -0.2418 -0.2418 0.3116 0.3116 0.4549 0.4549 0.6722 0.6722 1.6494 1.6494 2.3116 2.3116 2.4635 2.4635 2.6241 2.6241 3.1537 3.1537 3.3594 3.3594 4.2746 4.2746 5.0281 5.0281 5.4281 5.4281 7.6687 7.6687 8.0849 8.0849 11.5277 11.5277 k =-0.2763 0.2631 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4935 -10.4935 -10.4152 -10.4152 -9.6699 -9.6699 -9.1223 -9.1223 -1.4801 -1.4801 -0.3987 -0.3987 -0.2521 -0.2521 0.2930 0.2930 0.4398 0.4398 0.6703 0.6703 1.6681 1.6681 2.3327 2.3327 2.4864 2.4864 2.6332 2.6332 3.1653 3.1653 3.3819 3.3819 4.2741 4.2741 5.0198 5.0198 5.4109 5.4109 7.6708 7.6708 8.1103 8.1103 11.4836 11.4836 k =-0.2895 0.2757 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4945 -10.4945 -10.4138 -10.4138 -9.6676 -9.6676 -9.1241 -9.1241 -1.4873 -1.4873 -0.4000 -0.4000 -0.2604 -0.2604 0.2740 0.2740 0.4238 0.4238 0.6686 0.6686 1.6866 1.6866 2.3536 2.3536 2.5067 2.5067 2.6444 2.6444 3.1775 3.1775 3.4042 3.4042 4.2734 4.2734 5.0111 5.0111 5.3943 5.3943 7.6727 7.6727 8.1357 8.1357 11.4405 11.4405 k =-0.3026 0.2882 0.8074 ( 5450 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4955 -10.4955 -10.4125 -10.4125 -9.6653 -9.6653 -9.1260 -9.1260 -1.4943 -1.4943 -0.4017 -0.4017 -0.2666 -0.2666 0.2548 0.2548 0.4071 0.4071 0.6671 0.6671 1.7048 1.7048 2.3740 2.3740 2.5242 2.5242 2.6576 2.6576 3.1904 3.1904 3.4261 3.4261 4.2725 4.2725 5.0022 5.0022 5.3784 5.3784 7.6745 7.6745 8.1608 8.1608 11.3988 11.3988 k =-0.3158 0.3007 0.8074 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4964 -10.4964 -10.4113 -10.4113 -9.6631 -9.6631 -9.1277 -9.1277 -1.5012 -1.5012 -0.4040 -0.4040 -0.2703 -0.2703 0.2354 0.2354 0.3898 0.3898 0.6658 0.6658 1.7225 1.7225 2.3939 2.3939 2.5387 2.5387 2.6730 2.6730 3.2035 3.2035 3.4473 3.4473 4.2714 4.2714 4.9931 4.9931 5.3635 5.3635 7.6761 7.6761 8.1855 8.1855 11.3588 11.3588 k =-0.3289 0.3133 0.8074 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4972 -10.4972 -10.4102 -10.4102 -9.6610 -9.6610 -9.1294 -9.1294 -1.5078 -1.5078 -0.4072 -0.4072 -0.2712 -0.2712 0.2158 0.2158 0.3722 0.3722 0.6648 0.6648 1.7397 1.7397 2.4132 2.4132 2.5503 2.5503 2.6901 2.6901 3.2169 3.2169 3.4678 3.4678 4.2701 4.2701 4.9839 4.9839 5.3496 5.3496 7.6775 7.6775 8.2097 8.2097 11.3206 11.3206 k =-0.3421 0.3258 0.8074 ( 5454 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4980 -10.4980 -10.4091 -10.4091 -9.6590 -9.6590 -9.1310 -9.1310 -1.5141 -1.5141 -0.4113 -0.4113 -0.2692 -0.2692 0.1959 0.1959 0.3546 0.3546 0.6639 0.6639 1.7563 1.7563 2.4317 2.4317 2.5597 2.5597 2.7082 2.7082 3.2302 3.2302 3.4874 3.4874 4.2687 4.2687 4.9746 4.9746 5.3368 5.3368 7.6788 7.6788 8.2330 8.2330 11.2846 11.2846 k =-0.3553 0.3383 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4987 -10.4987 -10.4081 -10.4081 -9.6571 -9.6571 -9.1326 -9.1326 -1.5201 -1.5201 -0.4161 -0.4161 -0.2645 -0.2645 0.1758 0.1758 0.3374 0.3374 0.6632 0.6632 1.7720 1.7720 2.4493 2.4493 2.5671 2.5671 2.7268 2.7268 3.2433 3.2433 3.5060 3.5060 4.2671 4.2671 4.9654 4.9654 5.3251 5.3251 7.6799 7.6799 8.2554 8.2554 11.2509 11.2509 k =-0.3684 0.3509 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4993 -10.4993 -10.4072 -10.4072 -9.6553 -9.6553 -9.1340 -9.1340 -1.5256 -1.5256 -0.4214 -0.4214 -0.2573 -0.2573 0.1553 0.1553 0.3209 0.3209 0.6627 0.6627 1.7868 1.7868 2.4659 2.4659 2.5732 2.5732 2.7452 2.7452 3.2560 3.2560 3.5234 3.5234 4.2654 4.2654 4.9564 4.9564 5.3145 5.3145 7.6809 7.6809 8.2767 8.2767 11.2196 11.2196 k =-0.3816 0.3634 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.4999 -10.4999 -10.4064 -10.4064 -9.6536 -9.6536 -9.1354 -9.1354 -1.5308 -1.5308 -0.4270 -0.4270 -0.2479 -0.2479 0.1346 0.1346 0.3053 0.3053 0.6622 0.6622 1.8005 1.8005 2.4814 2.4814 2.5781 2.5781 2.7629 2.7629 3.2681 3.2681 3.5395 3.5395 4.2637 4.2637 4.9477 4.9477 5.3050 5.3050 7.6817 7.6817 8.2965 8.2965 11.1909 11.1909 k =-0.3947 0.3759 0.8074 ( 5440 PWs) bands (ev): -81.1246 -81.1246 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5004 -10.5004 -10.4057 -10.4057 -9.6521 -9.6521 -9.1366 -9.1366 -1.5355 -1.5355 -0.4326 -0.4326 -0.2367 -0.2367 0.1135 0.1135 0.2909 0.2909 0.6619 0.6619 1.8132 1.8132 2.4956 2.4956 2.5822 2.5822 2.7795 2.7795 3.2795 3.2795 3.5542 3.5542 4.2620 4.2620 4.9395 4.9395 5.2967 5.2967 7.6823 7.6823 8.3149 8.3149 11.1650 11.1650 k =-0.4079 0.3884 0.8074 ( 5444 PWs) bands (ev): -81.1246 -81.1246 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5008 -10.5008 -10.4051 -10.4051 -9.6507 -9.6507 -9.1377 -9.1377 -1.5397 -1.5397 -0.4379 -0.4379 -0.2240 -0.2240 0.0923 0.0923 0.2779 0.2779 0.6616 0.6616 1.8246 1.8246 2.5084 2.5084 2.5856 2.5856 2.7948 2.7948 3.2899 3.2899 3.5674 3.5674 4.2603 4.2603 4.9319 4.9319 5.2895 5.2895 7.6828 7.6828 8.3316 8.3316 11.1418 11.1418 k =-0.4211 0.4010 0.8074 ( 5444 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5012 -10.5012 -10.4045 -10.4045 -9.6495 -9.6495 -9.1386 -9.1386 -1.5434 -1.5434 -0.4428 -0.4428 -0.2100 -0.2100 0.0710 0.0710 0.2665 0.2665 0.6614 0.6614 1.8346 1.8346 2.5197 2.5197 2.5884 2.5884 2.8085 2.8085 3.2993 3.2993 3.5790 3.5790 4.2588 4.2588 4.9250 4.9250 5.2833 5.2833 7.6833 7.6833 8.3464 8.3464 11.1216 11.1216 k =-0.4342 0.4135 0.8074 ( 5448 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5015 -10.5015 -10.4041 -10.4041 -9.6485 -9.6485 -9.1395 -9.1395 -1.5466 -1.5466 -0.4471 -0.4471 -0.1951 -0.1951 0.0500 0.0500 0.2567 0.2567 0.6613 0.6613 1.8432 1.8432 2.5295 2.5295 2.5907 2.5907 2.8204 2.8204 3.3074 3.3074 3.5890 3.5890 4.2573 4.2573 4.9189 4.9189 5.2782 5.2782 7.6835 7.6835 8.3592 8.3592 11.1044 11.1044 k =-0.4474 0.4260 0.8074 ( 5464 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5018 -10.5018 -10.4037 -10.4037 -9.6476 -9.6476 -9.1401 -9.1401 -1.5492 -1.5492 -0.4508 -0.4508 -0.1798 -0.1798 0.0297 0.0297 0.2487 0.2487 0.6612 0.6612 1.8504 1.8504 2.5376 2.5376 2.5925 2.5925 2.8303 2.8303 3.3143 3.3143 3.5972 3.5972 4.2560 4.2560 4.9138 4.9138 5.2740 5.2740 7.6837 7.6837 8.3699 8.3699 11.0902 11.0902 k =-0.4605 0.4386 0.8074 ( 5460 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5020 -10.5020 -10.4034 -10.4034 -9.6469 -9.6469 -9.1407 -9.1407 -1.5513 -1.5513 -0.4537 -0.4537 -0.1649 -0.1649 0.0107 0.0107 0.2425 0.2425 0.6611 0.6611 1.8560 1.8560 2.5440 2.5440 2.5939 2.5939 2.8382 2.8382 3.3197 3.3197 3.6037 3.6037 4.2550 4.2550 4.9097 4.9097 5.2709 5.2709 7.6839 7.6839 8.3784 8.3784 11.0792 11.0792 k =-0.4737 0.4511 0.8074 ( 5452 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5021 -10.5021 -10.4032 -10.4032 -9.6465 -9.6465 -9.1411 -9.1411 -1.5528 -1.5528 -0.4558 -0.4558 -0.1514 -0.1514 -0.0056 -0.0056 0.2380 0.2380 0.6610 0.6610 1.8601 1.8601 2.5486 2.5486 2.5949 2.5949 2.8438 2.8438 3.3236 3.3236 3.6083 3.6083 4.2543 4.2543 4.9068 4.9068 5.2686 5.2686 7.6840 7.6840 8.3845 8.3845 11.0712 11.0712 k =-0.4868 0.4636 0.8074 ( 5456 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5022 -10.5022 -10.4031 -10.4031 -9.6462 -9.6462 -9.1413 -9.1413 -1.5537 -1.5537 -0.4571 -0.4571 -0.1414 -0.1414 -0.0173 -0.0173 0.2353 0.2353 0.6610 0.6610 1.8625 1.8625 2.5513 2.5513 2.5955 2.5955 2.8473 2.8473 3.3260 3.3260 3.6111 3.6111 4.2538 4.2538 4.9049 4.9049 5.2673 5.2673 7.6841 7.6841 8.3882 8.3882 11.0664 11.0664 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1247 -81.1247 -49.5249 -49.5249 -37.4429 -37.4429 -37.2835 -37.2835 -10.5022 -10.5022 -10.4030 -10.4030 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4576 -0.4576 -0.1376 -0.1376 -0.0217 -0.0217 0.2344 0.2344 0.6610 0.6610 1.8633 1.8633 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6120 3.6120 4.2536 4.2536 4.9043 4.9043 5.2668 5.2668 7.6841 7.6841 8.3894 8.3894 11.0649 11.0649 Writing output data file OsCl4.save init_run : 2.79s CPU 12.91s WALL ( 1 calls) electrons : 779.67s CPU 787.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.37s WALL ( 1 calls) Called by electrons: c_bands : 779.62s CPU 787.44s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.48s WALL ( 1 calls) newd : 0.50s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 402 calls) cegterg : 703.13s CPU 707.52s WALL ( 883 calls) Called by sum_band: Called by *egterg: h_psi : 347.73s CPU 355.89s WALL ( 14118 calls) s_psi : 43.62s CPU 44.38s WALL ( 14118 calls) g_psi : 0.86s CPU 0.94s WALL ( 12833 calls) cdiaghg : 212.93s CPU 209.88s WALL ( 13235 calls) cegterg:over : 62.78s CPU 60.32s WALL ( 12833 calls) cegterg:upda : 13.51s CPU 17.07s WALL ( 12833 calls) cegterg:last : 12.49s CPU 13.30s WALL ( 2089 calls) Called by h_psi: h_psi:vloc : 264.83s CPU 271.42s WALL ( 14118 calls) h_psi:vnl : 82.51s CPU 83.42s WALL ( 14118 calls) add_vuspsi : 31.06s CPU 35.57s WALL ( 14118 calls) General routines calbec : 51.40s CPU 47.77s WALL ( 14118 calls) fft : 0.27s CPU 1.34s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 253.71s CPU 259.48s WALL ( 1262896 calls) interpolate : 0.02s CPU 0.09s WALL ( 4 calls) davcio : 0.04s CPU 2.73s WALL ( 804 calls) Parallel routines fft_scatter : 165.54s CPU 168.94s WALL ( 1262919 calls) PWSCF : 14m21.35s CPU 20m54.16s WALL This run was terminated on: 11:59: 0 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=