Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 0:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./OsCl4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 57 16 1652 1207 192 Max 71 58 18 1655 1223 195 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: /users/gautes/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: /users/gautes/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 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E 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 0.1184211 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 0.1184211 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 0.26 Mb ( 322, 52) NL pseudopotentials 0.42 Mb ( 161, 170) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1655) G-vector shells 0.01 Mb ( 780) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 322, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) 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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.0 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.3 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.0 secs Computing kpt #: 29 total cpu time spent up to now is 16.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.4 secs Computing kpt #: 38 total cpu time spent up to now is 20.8 secs Computing kpt #: 39 total cpu time spent up to now is 21.2 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.4 secs Computing kpt #: 43 total cpu time spent up to now is 22.8 secs Computing kpt #: 44 total cpu time spent up to now is 23.3 secs Computing kpt #: 45 total cpu time spent up to now is 23.7 secs Computing kpt #: 46 total cpu time spent up to now is 24.2 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.7 secs Computing kpt #: 50 total cpu time spent up to now is 26.2 secs Computing kpt #: 51 total cpu time spent up to now is 26.7 secs Computing kpt #: 52 total cpu time spent up to now is 27.2 secs Computing kpt #: 53 total cpu time spent up to now is 27.7 secs Computing kpt #: 54 total cpu time spent up to now is 28.2 secs Computing kpt #: 55 total cpu time spent up to now is 28.7 secs Computing kpt #: 56 total cpu time spent up to now is 29.2 secs Computing kpt #: 57 total cpu time spent up to now is 29.8 secs Computing kpt #: 58 total cpu time spent up to now is 30.3 secs Computing kpt #: 59 total cpu time spent up to now is 30.8 secs Computing kpt #: 60 total cpu time spent up to now is 31.4 secs Computing kpt #: 61 total cpu time spent up to now is 31.9 secs Computing kpt #: 62 total cpu time spent up to now is 32.5 secs Computing kpt #: 63 total cpu time spent up to now is 33.0 secs Computing kpt #: 64 total cpu time spent up to now is 33.6 secs Computing kpt #: 65 total cpu time spent up to now is 34.1 secs Computing kpt #: 66 total cpu time spent up to now is 34.7 secs Computing kpt #: 67 total cpu time spent up to now is 35.3 secs Computing kpt #: 68 total cpu time spent up to now is 35.9 secs Computing kpt #: 69 total cpu time spent up to now is 36.4 secs Computing kpt #: 70 total cpu time spent up to now is 37.0 secs Computing kpt #: 71 total cpu time spent up to now is 37.5 secs Computing kpt #: 72 total cpu time spent up to now is 38.1 secs Computing kpt #: 73 total cpu time spent up to now is 38.6 secs Computing kpt #: 74 total cpu time spent up to now is 39.2 secs Computing kpt #: 75 total cpu time spent up to now is 39.8 secs Computing kpt #: 76 total cpu time spent up to now is 40.3 secs Computing kpt #: 77 total cpu time spent up to now is 40.8 secs Computing kpt #: 78 total cpu time spent up to now is 41.3 secs Computing kpt #: 79 total cpu time spent up to now is 41.8 secs Computing kpt #: 80 total cpu time spent up to now is 42.3 secs Computing kpt #: 81 total cpu time spent up to now is 42.7 secs Computing kpt #: 82 total cpu time spent up to now is 43.2 secs Computing kpt #: 83 total cpu time spent up to now is 43.6 secs Computing kpt #: 84 total cpu time spent up to now is 44.0 secs Computing kpt #: 85 total cpu time spent up to now is 44.5 secs Computing kpt #: 86 total cpu time spent up to now is 44.9 secs Computing kpt #: 87 total cpu time spent up to now is 45.3 secs Computing kpt #: 88 total cpu time spent up to now is 45.7 secs Computing kpt #: 89 total cpu time spent up to now is 46.1 secs Computing kpt #: 90 total cpu time spent up to now is 46.5 secs Computing kpt #: 91 total cpu time spent up to now is 46.9 secs Computing kpt #: 92 total cpu time spent up to now is 47.4 secs Computing kpt #: 93 total cpu time spent up to now is 47.8 secs Computing kpt #: 94 total cpu time spent up to now is 48.2 secs Computing kpt #: 95 total cpu time spent up to now is 48.6 secs Computing kpt #: 96 total cpu time spent up to now is 49.0 secs Computing kpt #: 97 total cpu time spent up to now is 49.4 secs Computing kpt #: 98 total cpu time spent up to now is 49.8 secs Computing kpt #: 99 total cpu time spent up to now is 50.3 secs Computing kpt #: 100 total cpu time spent up to now is 50.7 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.5 secs Computing kpt #: 103 total cpu time spent up to 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Computing kpt #: 119 total cpu time spent up to now is 58.9 secs Computing kpt #: 120 total cpu time spent up to now is 59.3 secs Computing kpt #: 121 total cpu time spent up to now is 59.7 secs Computing kpt #: 122 total cpu time spent up to now is 60.1 secs Computing kpt #: 123 total cpu time spent up to now is 60.5 secs Computing kpt #: 124 total cpu time spent up to now is 61.0 secs Computing kpt #: 125 total cpu time spent up to now is 61.4 secs Computing kpt #: 126 total cpu time spent up to now is 61.9 secs Computing kpt #: 127 total cpu time spent up to now is 62.5 secs Computing kpt #: 128 total cpu time spent up to now is 63.0 secs Computing kpt #: 129 total cpu time spent up to now is 63.5 secs Computing kpt #: 130 total cpu time spent up to now is 63.9 secs Computing kpt #: 131 total cpu time spent up to now is 64.3 secs Computing kpt #: 132 total cpu time spent up to now is 64.8 secs Computing kpt #: 133 total cpu time spent up to now is 65.2 secs Computing kpt #: 134 total cpu time spent up to now is 65.6 secs Computing kpt #: 135 total cpu time spent up to now is 66.0 secs Computing kpt #: 136 total cpu time spent up to now is 66.4 secs Computing kpt #: 137 total cpu time spent up to now is 66.8 secs Computing kpt #: 138 total cpu time spent up to now is 67.2 secs Computing kpt #: 139 total cpu time spent up to now is 67.6 secs Computing kpt #: 140 total cpu time spent up to now is 68.0 secs Computing kpt #: 141 total cpu time spent up to now is 68.4 secs Computing kpt #: 142 total cpu time spent up to now is 68.8 secs Computing kpt #: 143 total cpu time spent up to now is 69.2 secs Computing kpt #: 144 total cpu time spent up to now is 69.6 secs Computing kpt #: 145 total cpu time spent up to now is 70.0 secs Computing kpt #: 146 total cpu time spent up to now is 70.4 secs Computing kpt #: 147 total cpu time spent up to now is 70.8 secs Computing kpt #: 148 total cpu time spent up to now is 71.3 secs Computing kpt #: 149 total cpu time spent up to now is 71.7 secs Computing kpt #: 150 total cpu time spent up to now is 72.1 secs Computing kpt #: 151 total cpu time spent up to now is 72.5 secs Computing kpt #: 152 total cpu time spent up to now is 72.9 secs Computing kpt #: 153 total cpu time spent up to now is 73.3 secs Computing kpt #: 154 total cpu time spent up to now is 73.8 secs Computing kpt #: 155 total cpu time spent up to now is 74.2 secs Computing kpt #: 156 total cpu time spent up to now is 74.6 secs Computing kpt #: 157 total cpu time spent up to now is 75.0 secs Computing kpt #: 158 total cpu time spent up to now is 75.5 secs Computing kpt #: 159 total cpu time spent up to now is 75.9 secs Computing kpt #: 160 total cpu time spent up to now is 76.3 secs Computing kpt #: 161 total cpu time spent up to now is 76.7 secs Computing kpt #: 162 total cpu time spent up to now is 77.1 secs Computing kpt #: 163 total cpu time spent up to now is 77.5 secs Computing kpt #: 164 total cpu time spent up to now is 78.0 secs Computing kpt #: 165 total cpu time spent up to now is 78.4 secs Computing kpt #: 166 total cpu time spent up to now is 78.8 secs Computing kpt #: 167 total cpu time spent up to now is 79.2 secs Computing kpt #: 168 total cpu time spent up to now is 79.6 secs Computing kpt #: 169 total cpu time spent up to now is 80.0 secs Computing kpt #: 170 total cpu time spent up to now is 80.4 secs Computing kpt #: 171 total cpu time spent up to now is 80.8 secs Computing kpt #: 172 total cpu time spent up to now is 81.2 secs Computing kpt #: 173 total cpu time spent up to now is 81.6 secs Computing kpt #: 174 total cpu time spent up to now is 82.0 secs Computing kpt #: 175 total cpu time spent up to now is 82.4 secs Computing kpt #: 176 total cpu time spent up to now is 82.8 secs Computing kpt #: 177 total cpu time spent up to now is 83.1 secs Computing kpt #: 178 total cpu time spent up to now is 83.5 secs Computing kpt #: 179 total cpu time spent up to now is 83.9 secs Computing kpt #: 180 total cpu time spent up to now is 84.3 secs Computing kpt #: 181 total cpu time spent up to now is 84.6 secs Computing kpt #: 182 total cpu time spent up to now is 85.0 secs Computing kpt #: 183 total cpu time spent up to now is 85.4 secs Computing kpt #: 184 total cpu time spent up to now is 85.8 secs Computing kpt #: 185 total cpu time spent up to now is 86.2 secs Computing kpt #: 186 total cpu time spent up to now is 86.6 secs Computing kpt #: 187 total cpu time spent up to now is 87.0 secs Computing kpt #: 188 total cpu time spent up to now is 87.4 secs Computing kpt #: 189 total cpu time spent up to now is 87.8 secs Computing kpt #: 190 total cpu time spent up to now is 88.2 secs Computing kpt #: 191 total cpu time spent up to now is 88.6 secs Computing kpt #: 192 total cpu time spent up to now is 89.0 secs Computing kpt #: 193 total cpu time spent up to now is 89.4 secs Computing kpt #: 194 total cpu time spent up to now is 89.8 secs Computing kpt #: 195 total cpu time spent up to now is 90.2 secs Computing kpt #: 196 total cpu time spent up to now is 90.6 secs Computing kpt #: 197 total cpu time spent up to now is 91.0 secs Computing kpt #: 198 total cpu time spent up to now is 91.4 secs Computing kpt #: 199 total cpu time spent up to now is 91.8 secs Computing kpt #: 200 total cpu time spent up to now is 92.2 secs Computing kpt #: 201 total cpu time spent up to now is 92.6 secs Computing kpt #: 202 total cpu time spent up to now is 93.0 secs Computing kpt #: 203 total cpu time spent up to now is 93.5 secs Computing kpt #: 204 total cpu time spent up to now is 93.9 secs Computing kpt #: 205 total cpu time spent up to now is 94.3 secs Computing kpt #: 206 total cpu time spent up to now is 94.7 secs Computing kpt #: 207 total cpu time spent up to now is 95.1 secs Computing kpt #: 208 total cpu time spent up to now is 95.5 secs Computing kpt #: 209 total cpu time spent up to now is 95.9 secs Computing kpt #: 210 total cpu time spent up to now is 96.3 secs Computing kpt #: 211 total cpu time spent up to now is 96.7 secs Computing kpt #: 212 total cpu time spent up to now is 97.1 secs Computing kpt #: 213 total cpu time spent up to now is 97.5 secs Computing kpt #: 214 total cpu time spent up to now is 97.8 secs Computing kpt #: 215 total cpu time spent up to now is 98.2 secs Computing kpt #: 216 total cpu time spent up to now is 98.6 secs Computing kpt #: 217 total cpu time spent up to now is 99.0 secs Computing kpt #: 218 total cpu time spent up to now is 99.4 secs Computing kpt #: 219 total cpu time spent up to now is 99.7 secs Computing kpt #: 220 total cpu time spent up to now is 100.1 secs Computing kpt #: 221 total cpu time spent up to now is 100.5 secs Computing kpt #: 222 total cpu time spent up to now is 100.9 secs Computing kpt #: 223 total cpu time spent up to now is 101.3 secs Computing kpt #: 224 total cpu time spent up to now is 101.7 secs Computing kpt #: 225 total cpu time spent up to now is 102.0 secs Computing kpt #: 226 total cpu time spent up to now is 102.4 secs Computing kpt #: 227 total cpu time spent up to now is 102.8 secs Computing kpt #: 228 total cpu time spent up to now is 103.2 secs Computing kpt #: 229 total cpu time spent up to now is 103.6 secs Computing kpt #: 230 total cpu time spent up to now is 103.9 secs Computing kpt #: 231 total cpu time spent up to now is 104.3 secs Computing kpt #: 232 total cpu time spent up to now is 104.7 secs Computing kpt #: 233 total cpu time spent up to now is 105.2 secs Computing kpt #: 234 total cpu time spent up to now is 105.5 secs Computing kpt #: 235 total cpu time spent up to now is 105.9 secs Computing kpt #: 236 total cpu time spent up to now is 106.3 secs Computing kpt #: 237 total cpu time spent up to now is 106.7 secs Computing kpt #: 238 total cpu time spent up to now is 107.1 secs Computing kpt #: 239 total cpu time spent up to now is 107.5 secs Computing kpt #: 240 total cpu time spent up to now is 107.9 secs Computing kpt #: 241 total cpu time spent up to now is 108.3 secs Computing kpt #: 242 total cpu time spent up to now is 108.7 secs Computing kpt #: 243 total cpu time spent up to now is 109.1 secs Computing kpt #: 244 total cpu time spent up to now is 109.5 secs Computing kpt #: 245 total cpu time spent up to now is 109.9 secs Computing kpt #: 246 total cpu time spent up to now is 110.3 secs Computing kpt #: 247 total cpu time spent up to now is 110.7 secs Computing kpt #: 248 total cpu time spent up to now is 111.1 secs Computing kpt #: 249 total cpu time spent up to now is 111.6 secs Computing kpt #: 250 total cpu time spent up to now is 112.0 secs Computing kpt #: 251 total cpu time spent up to now is 112.4 secs Computing kpt #: 252 total cpu time spent up to now is 112.8 secs Computing kpt #: 253 total cpu time spent up to now is 113.2 secs Computing kpt #: 254 total cpu time spent up to now is 113.6 secs Computing kpt #: 255 total cpu time spent up to now is 114.0 secs Computing kpt #: 256 total cpu time spent up to now is 114.5 secs Computing kpt #: 257 total cpu time spent up to now is 114.9 secs Computing kpt #: 258 total cpu time spent up to now is 115.3 secs Computing kpt #: 259 total cpu time spent up to now is 115.7 secs Computing kpt #: 260 total cpu time spent up to now is 116.1 secs Computing kpt #: 261 total cpu time spent up to now is 116.5 secs Computing kpt #: 262 total cpu time spent up to now is 116.9 secs Computing kpt #: 263 total cpu time spent up to now is 117.3 secs Computing kpt #: 264 total cpu time spent up to now is 117.7 secs Computing kpt #: 265 total cpu time spent up to now is 118.1 secs Computing kpt #: 266 total cpu time spent up to now is 118.5 secs Computing kpt #: 267 total cpu time spent up to now is 118.9 secs Computing kpt #: 268 total cpu time spent up to now is 119.4 secs Computing kpt #: 269 total cpu time spent up to now is 119.8 secs Computing kpt #: 270 total cpu time spent up to now is 120.2 secs Computing kpt #: 271 total cpu time spent up to now is 120.6 secs Computing kpt #: 272 total cpu time spent up to now is 121.0 secs Computing kpt #: 273 total cpu time spent up to now is 121.4 secs Computing kpt #: 274 total cpu time spent up to now is 121.8 secs Computing kpt #: 275 total cpu time spent up to now is 122.2 secs Computing kpt #: 276 total cpu time spent up to now is 122.6 secs Computing kpt #: 277 total cpu time spent up to now is 123.0 secs Computing kpt #: 278 total cpu time spent up to now is 123.4 secs Computing kpt #: 279 total cpu time spent up to now is 123.8 secs Computing kpt #: 280 total cpu time spent up to now is 124.2 secs Computing kpt #: 281 total cpu time spent up to now is 124.6 secs Computing kpt #: 282 total cpu time spent up to now is 125.0 secs Computing kpt #: 283 total cpu time spent up to now is 125.4 secs Computing kpt #: 284 total cpu time spent up to now is 125.8 secs Computing kpt #: 285 total cpu time spent up to now is 126.2 secs Computing kpt #: 286 total cpu time spent up to now is 126.6 secs Computing kpt #: 287 total cpu time spent up to now is 127.0 secs Computing kpt #: 288 total cpu time spent up to now is 127.4 secs Computing kpt #: 289 total cpu time spent up to now is 127.8 secs Computing kpt #: 290 total cpu time spent up to now is 128.2 secs Computing kpt #: 291 total cpu time spent up to now is 128.6 secs Computing kpt #: 292 total cpu time spent up to now is 129.0 secs Computing kpt #: 293 total cpu time spent up to now is 129.4 secs Computing kpt #: 294 total cpu time spent up to now is 129.7 secs Computing kpt #: 295 total cpu time spent up to now is 130.1 secs Computing kpt #: 296 total cpu time spent up to now is 130.5 secs Computing kpt #: 297 total cpu time spent up to now is 130.9 secs Computing kpt #: 298 total cpu time spent up to now is 131.3 secs Computing kpt #: 299 total cpu time spent up to now is 131.7 secs Computing kpt #: 300 total cpu time spent up to now is 132.1 secs Computing kpt #: 301 total cpu time spent up to now is 132.5 secs Computing kpt #: 302 total cpu time spent up to now is 132.9 secs Computing kpt #: 303 total cpu time spent up to now is 133.4 secs Computing kpt #: 304 total cpu time spent up to now is 133.8 secs Computing kpt #: 305 total cpu time spent up to now is 134.2 secs Computing kpt #: 306 total cpu time spent up to now is 134.6 secs Computing kpt #: 307 total cpu time spent up to now is 135.0 secs Computing kpt #: 308 total cpu time spent up to now is 135.4 secs Computing kpt #: 309 total cpu time spent up to now is 135.8 secs Computing kpt #: 310 total cpu time spent up to now is 136.2 secs Computing kpt #: 311 total cpu time spent up to now is 136.6 secs Computing kpt #: 312 total cpu time spent up to now is 137.0 secs Computing kpt #: 313 total cpu time spent up to now is 137.4 secs Computing kpt #: 314 total cpu time spent up to now is 137.8 secs Computing kpt #: 315 total cpu time spent up to now is 138.2 secs Computing kpt #: 316 total cpu time spent up to now is 138.6 secs Computing kpt #: 317 total cpu time spent up to now is 139.0 secs Computing kpt #: 318 total cpu time spent up to now is 139.3 secs Computing kpt #: 319 total cpu time spent up to now is 139.7 secs Computing kpt #: 320 total cpu time spent up to now is 140.2 secs Computing kpt #: 321 total cpu time spent up to now is 140.6 secs Computing kpt #: 322 total cpu time spent up to now is 141.0 secs Computing kpt #: 323 total cpu time spent up to now is 141.4 secs Computing kpt #: 324 total cpu time spent up to now is 141.8 secs Computing kpt #: 325 total cpu time spent up to now is 142.2 secs Computing kpt #: 326 total cpu time spent up to now is 142.6 secs Computing kpt #: 327 total cpu time spent up to now is 143.0 secs Computing kpt #: 328 total cpu time spent up to now is 143.4 secs Computing kpt #: 329 total cpu time spent up to now is 143.8 secs Computing kpt #: 330 total cpu time spent up to now is 144.2 secs Computing kpt #: 331 total cpu time spent up to now is 144.6 secs Computing kpt #: 332 total cpu time spent up to now is 145.0 secs Computing kpt #: 333 total cpu time spent up to now is 145.4 secs Computing kpt #: 334 total cpu time spent up to now is 145.8 secs Computing kpt #: 335 total cpu time spent up to now is 146.2 secs Computing kpt #: 336 total cpu time spent up to now is 146.6 secs Computing kpt #: 337 total cpu time spent up to now is 147.0 secs Computing kpt #: 338 total cpu time spent up to now is 147.4 secs Computing kpt #: 339 total cpu time spent up to now is 147.8 secs Computing kpt #: 340 total cpu time spent up to now is 148.2 secs Computing kpt #: 341 total cpu time spent up to now is 148.6 secs Computing kpt #: 342 total cpu time spent up to now is 148.9 secs Computing kpt #: 343 total cpu time spent up to now is 149.3 secs Computing kpt #: 344 total cpu time spent up to now is 149.7 secs Computing kpt #: 345 total cpu time spent up to now is 150.1 secs Computing kpt #: 346 total cpu time spent up to now is 150.5 secs Computing kpt #: 347 total cpu time spent up to now is 150.9 secs Computing kpt #: 348 total cpu time spent up to now is 151.3 secs Computing kpt #: 349 total cpu time spent up to now is 151.7 secs Computing kpt #: 350 total cpu time spent up to now is 152.1 secs Computing kpt #: 351 total cpu time spent up to now is 152.5 secs Computing kpt #: 352 total cpu time spent up to now is 152.9 secs Computing kpt #: 353 total cpu time spent up to now is 153.3 secs Computing kpt #: 354 total cpu time spent up to now is 153.7 secs Computing kpt #: 355 total cpu time spent up to now is 154.1 secs Computing kpt #: 356 total cpu time spent up to now is 154.4 secs Computing kpt #: 357 total cpu time spent up to now is 154.8 secs Computing kpt #: 358 total cpu time spent up to now is 155.2 secs Computing kpt #: 359 total cpu time spent up to now is 155.7 secs Computing kpt #: 360 total cpu time spent up to now is 156.1 secs Computing kpt #: 361 total cpu time spent up to now is 156.5 secs Computing kpt #: 362 total cpu time spent up to now is 156.9 secs Computing kpt #: 363 total cpu time spent up to now is 157.3 secs Computing kpt #: 364 total cpu time spent up to now is 157.6 secs Computing kpt #: 365 total cpu time spent up to now is 158.0 secs Computing kpt #: 366 total cpu time spent up to now is 158.4 secs Computing kpt #: 367 total cpu time spent up to now is 158.8 secs Computing kpt #: 368 total cpu time spent up to now is 159.2 secs Computing kpt #: 369 total cpu time spent up to now is 159.5 secs Computing kpt #: 370 total cpu time spent up to now is 159.9 secs Computing kpt #: 371 total cpu time spent up to now is 160.3 secs Computing kpt #: 372 total cpu time spent up to now is 160.7 secs Computing kpt #: 373 total cpu time spent up to now is 161.1 secs Computing kpt #: 374 total cpu time spent up to now is 161.4 secs Computing kpt #: 375 total cpu time spent up to now is 161.8 secs Computing kpt #: 376 total cpu time spent up to now is 162.2 secs Computing kpt #: 377 total cpu time spent up to now is 162.6 secs Computing kpt #: 378 total cpu time spent up to now is 163.0 secs Computing kpt #: 379 total cpu time spent up to now is 163.3 secs Computing kpt #: 380 total cpu time spent up to now is 163.7 secs Computing kpt #: 381 total cpu time spent up to now is 164.1 secs Computing kpt #: 382 total cpu time spent up to now is 164.5 secs Computing kpt #: 383 total cpu time spent up to now is 164.9 secs Computing kpt #: 384 total cpu time spent up to now is 165.3 secs Computing kpt #: 385 total cpu time spent up to now is 165.6 secs Computing kpt #: 386 total cpu time spent up to now is 166.0 secs Computing kpt #: 387 total cpu time spent up to now is 166.4 secs Computing kpt #: 388 total cpu time spent up to now is 166.8 secs Computing kpt #: 389 total cpu time spent up to now is 167.2 secs Computing kpt #: 390 total cpu time spent up to now is 167.6 secs Computing kpt #: 391 total cpu time spent up to now is 167.9 secs Computing kpt #: 392 total cpu time spent up to now is 168.3 secs Computing kpt #: 393 total cpu time spent up to now is 168.7 secs Computing kpt #: 394 total cpu time spent up to now is 169.1 secs Computing kpt #: 395 total cpu time spent up to now is 169.5 secs Computing kpt #: 396 total cpu time spent up to now is 169.9 secs Computing kpt #: 397 total cpu time spent up to now is 170.3 secs Computing kpt #: 398 total cpu time spent up to now is 170.6 secs Computing kpt #: 399 total cpu time spent up to now is 171.0 secs Computing kpt #: 400 total cpu time spent up to now is 171.4 secs Computing kpt #: 401 total cpu time spent up to now is 171.8 secs Computing kpt #: 402 total cpu time spent up to now is 172.2 secs ethr = 2.27E-08, avg # of iterations = 18.6 total cpu time spent up to now is 172.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3020 -11.3020 -10.2612 -10.2612 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1574 1.1574 1.4660 1.4660 1.6879 1.6879 2.1831 2.1831 3.4466 3.4466 3.5803 3.5803 3.6456 3.6456 3.8289 3.8289 3.9162 3.9162 5.1450 5.1450 5.5538 5.5538 7.6430 7.6430 8.3694 8.3694 10.4610 10.4610 k = 0.0125 0.0132-0.0000 ( 5417 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3017 -11.3017 -10.2613 -10.2613 -9.6305 -9.6305 -9.3023 -9.3023 -1.3442 -1.3442 -0.7025 -0.7025 -0.2176 -0.2176 -0.0811 -0.0811 1.1558 1.1558 1.4663 1.4663 1.6887 1.6887 2.1830 2.1830 3.4429 3.4429 3.5751 3.5751 3.6488 3.6488 3.8290 3.8290 3.9155 3.9155 5.1457 5.1457 5.5536 5.5536 7.6430 7.6430 8.3718 8.3718 10.4657 10.4657 k = 0.0251 0.0263-0.0000 ( 5421 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3009 -11.3009 -10.2616 -10.2616 -9.6297 -9.6297 -9.3044 -9.3044 -1.3407 -1.3407 -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 3.6562 3.6562 3.8294 3.8294 3.9133 3.9133 5.1477 5.1477 5.5528 5.5528 7.6429 7.6429 8.3787 8.3787 10.4800 10.4800 k = 0.0376 0.0395-0.0000 ( 5433 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2996 -11.2996 -10.2621 -10.2621 -9.6286 -9.6286 -9.3079 -9.3079 -1.3350 -1.3350 -0.7025 -0.7025 -0.2088 -0.2088 -0.0737 -0.0737 1.1434 1.1434 1.4685 1.4685 1.6944 1.6944 2.1820 2.1820 3.4127 3.4127 3.5443 3.5443 3.6646 3.6646 3.8300 3.8300 3.9096 3.9096 5.1511 5.1511 5.5517 5.5517 7.6427 7.6427 8.3897 8.3897 10.5037 10.5037 k = 0.0502 0.0527-0.0000 ( 5425 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2977 -11.2977 -10.2628 -10.2628 -9.6269 -9.6269 -9.3126 -9.3126 -1.3271 -1.3271 -0.7024 -0.7024 -0.2011 -0.2011 -0.0672 -0.0672 1.1326 1.1326 1.4705 1.4705 1.6994 1.6994 2.1812 2.1812 3.3866 3.3866 3.5238 3.5238 3.6727 3.6727 3.8309 3.8309 3.9044 3.9044 5.1557 5.1557 5.5502 5.5502 7.6425 7.6426 8.4044 8.4044 10.5370 10.5370 k = 0.0627 0.0659-0.0000 ( 5439 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2953 -11.2953 -10.2637 -10.2637 -9.6249 -9.6249 -9.3186 -9.3186 -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 3.6797 3.6797 3.8321 3.8321 3.8979 3.8979 5.1615 5.1615 5.5485 5.5485 7.6423 7.6423 8.4218 8.4218 10.5797 10.5797 k = 0.0753 0.0790-0.0000 ( 5431 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2923 -11.2923 -10.2647 -10.2647 -9.6224 -9.6224 -9.3258 -9.3258 -1.3057 -1.3057 -0.7024 -0.7024 -0.1793 -0.1793 -0.0485 -0.0485 1.1023 1.1023 1.4761 1.4761 1.7139 1.7139 2.1789 2.1789 3.3152 3.3152 3.4761 3.4761 3.6857 3.6857 3.8334 3.8334 3.8900 3.8900 5.1683 5.1683 5.5468 5.5468 7.6420 7.6420 8.4412 8.4412 10.6318 10.6318 k = 0.0878 0.0922-0.0000 ( 5427 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2890 -11.2890 -10.2659 -10.2659 -9.6197 -9.6197 -9.3341 -9.3341 -1.2926 -1.2926 -0.7023 -0.7023 -0.1654 -0.1654 -0.0363 -0.0363 1.0832 1.0832 1.4797 1.4797 1.7234 1.7234 2.1774 2.1774 3.2716 3.2716 3.4489 3.4489 3.6906 3.6906 3.8348 3.8348 3.8808 3.8808 5.1761 5.1761 5.5453 5.5453 7.6416 7.6416 8.4615 8.4615 10.6931 10.6931 k = 0.1004 0.1054-0.0000 ( 5435 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2851 -11.2851 -10.2673 -10.2673 -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 2.1758 2.1758 3.2241 3.2241 3.4192 3.4192 3.6945 3.6945 3.8362 3.8362 3.8704 3.8704 5.1844 5.1844 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2808 -11.2808 -10.2688 -10.2688 -9.6133 -9.6133 -9.3534 -9.3534 -1.2631 -1.2631 -0.7023 -0.7023 -0.1320 -0.1320 -0.0062 -0.0062 1.0383 1.0383 1.4884 1.4884 1.7469 1.7469 2.1741 2.1741 3.1738 3.1738 3.3872 3.3872 3.6975 3.6975 3.8374 3.8374 3.8591 3.8591 5.1934 5.1934 5.5437 5.5437 7.6405 7.6405 8.5009 8.5009 10.8416 10.8416 k = 0.1255 0.1317-0.0000 ( 5431 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2761 -11.2761 -10.2705 -10.2705 -9.6098 -9.6098 -9.3641 -9.3641 -1.2472 -1.2472 -0.7023 -0.7023 -0.1131 -0.1131 0.0118 0.0118 1.0133 1.0133 1.4935 1.4935 1.7608 1.7608 2.1723 2.1723 3.1215 3.1215 3.3527 3.3527 3.6995 3.6995 3.8376 3.8376 3.8478 3.8478 5.2026 5.2026 5.5442 5.5442 7.6399 7.6399 8.5183 8.5183 10.9278 10.9278 k = 0.1380 0.1449-0.0000 ( 5441 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2711 -11.2711 -10.2724 -10.2724 -9.6064 -9.6064 -9.3752 -9.3752 -1.2310 -1.2310 -0.7023 -0.7023 -0.0931 -0.0931 0.0316 0.0316 0.9873 0.9873 1.4989 1.4989 1.7762 1.7762 2.1703 2.1703 3.0681 3.0681 3.3158 3.3158 3.7006 3.7006 3.8311 3.8311 3.8420 3.8420 5.2119 5.2119 5.5459 5.5459 7.6392 7.6392 8.5330 8.5330 11.0209 11.0209 k = 0.1505 0.1581-0.0000 ( 5445 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2657 -11.2657 -10.2743 -10.2743 -9.6031 -9.6031 -9.3866 -9.3866 -1.2147 -1.2147 -0.7024 -0.7024 -0.0724 -0.0724 0.0529 0.0529 0.9612 0.9612 1.5047 1.5047 1.7930 1.7930 2.1683 2.1683 3.0144 3.0144 3.2766 3.2766 3.7005 3.7005 3.8185 3.8185 3.8415 3.8415 5.2211 5.2211 5.5490 5.5490 7.6384 7.6384 8.5443 8.5443 11.1199 11.1199 k = 0.1631 0.1713-0.0000 ( 5438 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2600 -11.2600 -10.2763 -10.2763 -9.6002 -9.6002 -9.3979 -9.3979 -1.1986 -1.1986 -0.7025 -0.7025 -0.0514 -0.0514 0.0756 0.0756 0.9357 0.9357 1.5108 1.5108 1.8110 1.8110 2.1662 2.1662 2.9613 2.9613 3.2354 3.2354 3.6991 3.6991 3.8053 3.8053 3.8410 3.8410 5.2301 5.2301 5.5538 5.5538 7.6376 7.6376 8.5517 8.5517 11.2236 11.2236 k = 0.1756 0.1844-0.0000 ( 5436 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2540 -11.2540 -10.2785 -10.2785 -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 2.1641 2.1641 2.9095 2.9095 3.1922 3.1922 3.6960 3.6960 3.7924 3.7924 3.8399 3.8399 5.2388 5.2388 5.5603 5.5603 7.6367 7.6367 8.5548 8.5548 11.3306 11.3306 k = 0.1882 0.1976-0.0000 ( 5442 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2479 -11.2479 -10.2807 -10.2807 -9.5964 -9.5964 -9.4189 -9.4189 -1.1679 -1.1679 -0.7028 -0.7028 -0.0111 -0.0111 0.1227 0.1227 0.8912 0.8912 1.5237 1.5237 1.8507 1.8507 2.1620 2.1620 2.8596 2.8596 3.1475 3.1475 3.6905 3.6905 3.7808 3.7808 3.8380 3.8380 5.2471 5.2471 5.5687 5.5687 7.6358 7.6358 8.5531 8.5531 11.4393 11.4393 k = 0.2007 0.2108-0.0000 ( 5448 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2415 -11.2415 -10.2830 -10.2830 -9.5963 -9.5963 -9.4279 -9.4279 -1.1536 -1.1536 -0.7030 -0.7030 0.0066 0.0066 0.1461 0.1461 0.8750 0.8750 1.5305 1.5305 1.8719 1.8719 2.1600 2.1600 2.8124 2.8124 3.1014 3.1014 3.6822 3.6822 3.7710 3.7710 3.8351 3.8351 5.2550 5.2550 5.5789 5.5789 7.6348 7.6348 8.5465 8.5465 11.5477 11.5477 k = 0.2133 0.2240-0.0000 ( 5452 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2350 -11.2350 -10.2854 -10.2854 -9.5977 -9.5977 -9.4352 -9.4352 -1.1403 -1.1403 -0.7032 -0.7032 0.0212 0.0212 0.1688 0.1688 0.8645 0.8645 1.5375 1.5375 1.8939 1.8939 2.1579 2.1579 2.7683 2.7683 3.0543 3.0543 3.6708 3.6708 3.7634 3.7634 3.8312 3.8312 5.2626 5.2626 5.5909 5.5909 7.6338 7.6338 8.5347 8.5347 11.6539 11.6539 k = 0.2258 0.2371-0.0000 ( 5448 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2284 -11.2284 -10.2878 -10.2878 -9.6009 -9.6009 -9.4405 -9.4405 -1.1281 -1.1281 -0.7035 -0.7035 0.0313 0.0313 0.1910 0.1910 0.8611 0.8611 1.5446 1.5446 1.9164 1.9164 2.1560 2.1560 2.7281 2.7281 3.0064 3.0064 3.6565 3.6565 3.7580 3.7580 3.8262 3.8262 5.2700 5.2700 5.6045 5.6045 7.6327 7.6327 8.5176 8.5176 11.7555 11.7555 k = 0.2384 0.2503-0.0000 ( 5442 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2217 -11.2217 -10.2902 -10.2902 -9.6062 -9.6062 -9.4437 -9.4437 -1.1170 -1.1170 -0.7039 -0.7039 0.0354 0.0354 0.2132 0.2132 0.8654 0.8654 1.5518 1.5518 1.9390 1.9390 2.1542 2.1542 2.6922 2.6922 2.9583 2.9583 3.6397 3.6397 3.7543 3.7543 3.8200 3.8200 5.2772 5.2772 5.6195 5.6195 7.6317 7.6317 8.4953 8.4953 11.8500 11.8500 k = 0.2509 0.2635-0.0000 ( 5442 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2151 -11.2151 -10.2927 -10.2927 -9.6134 -9.6134 -9.4447 -9.4447 -1.1070 -1.1070 -0.7043 -0.7043 0.0324 0.0324 0.2362 0.2362 0.8773 0.8773 1.5590 1.5590 1.9615 1.9615 2.1525 2.1525 2.6612 2.6612 2.9103 2.9103 3.6211 3.6211 3.7519 3.7519 3.8127 3.8127 5.2845 5.2845 5.6356 5.6356 7.6305 7.6305 8.4678 8.4678 11.9350 11.9350 k = 0.2635 0.2766-0.0000 ( 5440 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2084 -11.2084 -10.2951 -10.2951 -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 1.9833 1.9833 2.1511 2.1511 2.6355 2.6355 2.8629 2.8629 3.6010 3.6010 3.7504 3.7504 3.8044 3.8044 5.2919 5.2919 5.6527 5.6527 7.6294 7.6294 8.4352 8.4352 12.0081 12.0081 k = 0.2760 0.2898-0.0000 ( 5440 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2019 -11.2019 -10.2975 -10.2975 -9.6324 -9.6324 -9.4413 -9.4413 -1.0906 -1.0906 -0.7053 -0.7053 0.0051 0.0051 0.2866 0.2866 0.9208 0.9208 1.5736 1.5736 2.0038 2.0038 2.1500 2.1500 2.6155 2.6155 2.8169 2.8169 3.5798 3.5798 3.7494 3.7494 3.7950 3.7950 5.2995 5.2995 5.6703 5.6703 7.6282 7.6282 8.3978 8.3978 12.0684 12.0684 k = 0.2885 0.3030-0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1954 -11.1954 -10.2999 -10.2999 -9.6435 -9.6435 -9.4375 -9.4375 -1.0841 -1.0841 -0.7058 -0.7058 -0.0175 -0.0175 0.3142 0.3142 0.9493 0.9493 1.5808 1.5808 2.0224 2.0224 2.1493 2.1493 2.6017 2.6017 2.7728 2.7728 3.5579 3.5579 3.7488 3.7488 3.7847 3.7847 5.3072 5.3072 5.6884 5.6884 7.6270 7.6270 8.3557 8.3557 12.1172 12.1172 k = 0.3011 0.3162-0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1891 -11.1891 -10.3022 -10.3022 -9.6552 -9.6552 -9.4328 -9.4328 -1.0788 -1.0788 -0.7064 -0.7064 -0.0441 -0.0441 0.3431 0.3431 0.9801 0.9801 1.5878 1.5878 2.0383 2.0383 2.1493 2.1493 2.5943 2.5943 2.7317 2.7317 3.5352 3.5352 3.7485 3.7485 3.7736 3.7736 5.3152 5.3152 5.7066 5.7066 7.6257 7.6257 8.3096 8.3096 12.1574 12.1574 k = 0.3136 0.3293-0.0000 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1830 -11.1830 -10.3045 -10.3045 -9.6671 -9.6671 -9.4273 -9.4273 -1.0747 -1.0747 -0.7071 -0.7071 -0.0735 -0.0735 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 3.7483 3.7483 3.7620 3.7620 5.3233 5.3233 5.7248 5.7248 7.6244 7.6244 8.2597 8.2597 12.1900 12.1900 k = 0.3262 0.3425-0.0000 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1772 -11.1772 -10.3066 -10.3066 -9.6790 -9.6790 -9.4214 -9.4214 -1.0716 -1.0716 -0.7078 -0.7078 -0.1043 -0.1043 0.4041 0.4041 1.0427 1.0427 1.6014 1.6014 2.0586 2.0586 2.1505 2.1505 2.5986 2.5986 2.6624 2.6624 3.4887 3.4887 3.7478 3.7478 3.7503 3.7503 5.3316 5.3316 5.7427 5.7427 7.6229 7.6229 8.2069 8.2069 12.2119 12.2119 k = 0.3387 0.3557-0.0000 ( 5470 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1715 -11.1715 -10.3087 -10.3087 -9.6908 -9.6908 -9.4153 -9.4153 -1.0695 -1.0695 -0.7086 -0.7086 -0.1356 -0.1356 0.4355 0.4355 1.0721 1.0721 1.6077 1.6077 2.0620 2.0620 2.1509 2.1509 2.6089 2.6089 2.6376 2.6376 3.4651 3.4651 3.7372 3.7372 3.7486 3.7486 5.3398 5.3398 5.7602 5.7602 7.6214 7.6214 8.1517 8.1517 12.2175 12.2175 k = 0.3513 0.3689-0.0000 ( 5474 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1662 -11.1662 -10.3107 -10.3107 -9.7021 -9.7021 -9.4091 -9.4091 -1.0684 -1.0684 -0.7094 -0.7094 -0.1664 -0.1664 0.4671 0.4671 1.0990 1.0990 1.6137 1.6137 2.0607 2.0607 2.1505 2.1505 2.6110 2.6110 2.6336 2.6336 3.4413 3.4413 3.7247 3.7247 3.7487 3.7487 5.3480 5.3480 5.7770 5.7770 7.6197 7.6197 8.0950 8.0950 12.2107 12.2107 k = 0.3638 0.3820-0.0000 ( 5472 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1612 -11.1612 -10.3126 -10.3126 -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 1.6193 1.6193 2.0546 2.0546 2.1489 2.1489 2.6013 2.6013 2.6539 2.6539 3.4177 3.4177 3.7123 3.7123 3.7488 3.7488 5.3560 5.3560 5.7931 5.7931 7.6177 7.6177 8.0377 8.0377 12.1969 12.1969 k = 0.3764 0.3952-0.0000 ( 5458 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1566 -11.1566 -10.3143 -10.3143 -9.7231 -9.7231 -9.3970 -9.3970 -1.0686 -1.0686 -0.7112 -0.7112 -0.2243 -0.2243 0.5297 0.5297 1.1437 1.1437 1.6244 1.6244 2.0440 2.0440 2.1465 2.1465 2.5966 2.5966 2.6804 2.6804 3.3944 3.3944 3.7002 3.7002 3.7490 3.7490 5.3637 5.3637 5.8082 5.8082 7.6154 7.6154 7.9809 7.9809 12.1790 12.1790 k = 0.3889 0.4084-0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1523 -11.1523 -10.3159 -10.3159 -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 3.7492 3.7492 5.3710 5.3710 5.8222 5.8222 7.6125 7.6125 7.9258 7.9258 12.1588 12.1588 k = 0.4015 0.4216-0.0000 ( 5458 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1485 -11.1485 -10.3174 -10.3174 -9.7412 -9.7412 -9.3860 -9.3860 -1.0713 -1.0713 -0.7129 -0.7129 -0.2741 -0.2741 0.5890 0.5890 1.1757 1.1757 1.6331 1.6331 2.0110 2.0110 2.1416 2.1416 2.6035 2.6035 2.7419 2.7419 3.3494 3.3494 3.6777 3.6777 3.7493 3.7493 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1450 -11.1450 -10.3187 -10.3187 -9.7489 -9.7489 -9.3812 -9.3812 -1.0733 -1.0733 -0.7137 -0.7137 -0.2952 -0.2952 0.6164 0.6164 1.1873 1.1873 1.6366 1.6366 1.9909 1.9909 2.1397 2.1397 2.6128 2.6128 2.7741 2.7741 3.3283 3.3283 3.6677 3.6677 3.7495 3.7495 5.3838 5.3838 5.8466 5.8466 7.6042 7.6042 7.8260 7.8260 12.1176 12.1176 k = 0.4265 0.4479-0.0000 ( 5458 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1420 -11.1420 -10.3198 -10.3198 -9.7557 -9.7557 -9.3769 -9.3769 -1.0754 -1.0754 -0.7145 -0.7145 -0.3135 -0.3135 0.6417 0.6417 1.1966 1.1966 1.6394 1.6394 1.9703 1.9703 2.1382 2.1382 2.6240 2.6240 2.8054 2.8054 3.3086 3.3086 3.6586 3.6586 3.7496 3.7496 5.3891 5.3891 5.8567 5.8567 7.5979 7.5979 7.7843 7.7843 12.0986 12.0986 k = 0.4391 0.4611-0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1394 -11.1394 -10.3208 -10.3208 -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 1.6417 1.6417 1.9505 1.9505 2.1372 2.1372 2.6359 2.6359 2.8344 2.8344 3.2908 3.2908 3.6508 3.6508 3.7497 3.7497 5.3937 5.3937 5.8654 5.8654 7.5898 7.5898 7.7498 7.7498 12.0815 12.0815 k = 0.4516 0.4742-0.0000 ( 5470 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1373 -11.1373 -10.3216 -10.3216 -9.7662 -9.7662 -9.3700 -9.3700 -1.0796 -1.0796 -0.7159 -0.7159 -0.3416 -0.3416 0.6835 0.6835 1.2089 1.2089 1.6433 1.6433 1.9329 1.9329 2.1365 2.1365 2.6473 2.6473 2.8599 2.8599 3.2753 3.2753 3.6442 3.6442 3.7498 3.7498 5.3975 5.3975 5.8725 5.8725 7.5800 7.5800 7.7236 7.7236 12.0671 12.0671 k = 0.4642 0.4874-0.0000 ( 5474 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1357 -11.1357 -10.3222 -10.3222 -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 1.6445 1.6445 1.9184 1.9184 2.1360 2.1360 2.6573 2.6573 2.8808 2.8808 3.2626 3.2626 3.6390 3.6390 3.7498 3.7498 5.4004 5.4004 5.8781 5.8781 7.5695 7.5695 7.7054 7.7054 12.0557 12.0557 k = 0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -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 1.6452 1.6452 1.9077 1.9077 2.1357 2.1357 2.6649 2.6649 2.8962 2.8962 3.2533 3.2533 3.6354 3.6354 3.7499 3.7499 5.4025 5.4025 5.8820 5.8820 7.5602 7.5602 7.6940 7.6940 12.0475 12.0475 k = 0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -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 1.6452 1.6452 1.9077 1.9077 2.1357 2.1357 2.6649 2.6649 2.8962 2.8962 3.2533 3.2533 3.6354 3.6354 3.7499 3.7499 5.4025 5.4025 5.8820 5.8820 7.5602 7.5602 7.6940 7.6940 12.0475 12.0475 k = 0.4591 0.5006-0.0000 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1354 -11.1354 -10.3224 -10.3224 -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 2.1359 2.1359 2.6597 2.6597 2.8871 2.8871 3.2597 3.2597 3.6377 3.6377 3.7499 3.7499 5.4012 5.4012 5.8791 5.8791 7.5666 7.5666 7.7014 7.7014 12.0508 12.0508 k = 0.4414 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1367 -11.1367 -10.3223 -10.3223 -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 2.1362 2.1362 2.6526 2.6526 2.8764 2.8764 3.2686 3.2686 3.6409 3.6409 3.7498 3.7498 5.3993 5.3993 5.8747 5.8747 7.5743 7.5743 7.7126 7.7126 12.0520 12.0520 k = 0.4238 0.5006-0.0000 ( 5468 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1384 -11.1384 -10.3222 -10.3222 -9.7642 -9.7642 -9.3696 -9.3696 -1.0788 -1.0788 -0.7156 -0.7156 -0.3472 -0.3472 0.6759 0.6759 1.2094 1.2094 1.6430 1.6430 1.9423 1.9423 2.1367 2.1367 2.6443 2.6443 2.8648 2.8648 3.2797 3.2797 3.6450 3.6450 3.7498 3.7498 5.3969 5.3969 5.8688 5.8688 7.5826 7.5826 7.7283 7.7283 12.0514 12.0514 k = 0.4061 0.5006-0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1405 -11.1405 -10.3221 -10.3221 -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 2.1372 2.1372 2.6354 2.6354 2.8527 2.8527 3.2925 3.2925 3.6498 3.6498 3.7497 3.7497 5.3939 5.3939 5.8613 5.8613 7.5906 7.5906 7.7491 7.7491 12.0493 12.0493 k = 0.3884 0.5006-0.0000 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1430 -11.1430 -10.3221 -10.3221 -9.7544 -9.7544 -9.3731 -9.3731 -1.0754 -1.0754 -0.7145 -0.7145 -0.3387 -0.3387 0.6399 0.6399 1.2007 1.2007 1.6397 1.6397 1.9778 1.9778 2.1379 2.1379 2.6266 2.6266 2.8408 2.8408 3.3065 3.3065 3.6553 3.6553 3.7497 3.7497 5.3904 5.3904 5.8522 5.8522 7.5977 7.5977 7.7751 7.7751 12.0459 12.0459 k = 0.3708 0.5006-0.0000 ( 5465 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1459 -11.1459 -10.3222 -10.3222 -9.7483 -9.7483 -9.3751 -9.3751 -1.0738 -1.0738 -0.7138 -0.7138 -0.3334 -0.3334 0.6200 0.6200 1.1939 1.1939 1.6373 1.6373 1.9960 1.9960 2.1387 2.1387 2.6186 2.6186 2.8303 2.8303 3.3213 3.3213 3.6616 3.6616 3.7496 3.7496 5.3863 5.3863 5.8417 5.8417 7.6040 7.6040 7.8060 7.8060 12.0416 12.0416 k = 0.3531 0.5006-0.0000 ( 5458 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1490 -11.1490 -10.3222 -10.3222 -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 2.1396 2.1396 2.6115 2.6115 2.8222 2.8222 3.3366 3.3366 3.6684 3.6684 3.7496 3.7496 5.3815 5.3815 5.8298 5.8298 7.6094 7.6094 7.8414 7.8414 12.0368 12.0368 k = 0.3355 0.5006-0.0000 ( 5455 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1524 -11.1524 -10.3223 -10.3223 -9.7342 -9.7342 -9.3797 -9.3797 -1.0717 -1.0717 -0.7123 -0.7123 -0.3197 -0.3197 0.5792 0.5792 1.1743 1.1743 1.6316 1.6316 2.0268 2.0268 2.1406 2.1406 2.6053 2.6053 2.8179 2.8179 3.3519 3.3519 3.6759 3.6759 3.7496 3.7496 5.3762 5.3762 5.8165 5.8165 7.6142 7.6142 7.8806 7.8806 12.0319 12.0319 k = 0.3178 0.5006-0.0000 ( 5457 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1560 -11.1560 -10.3224 -10.3224 -9.7264 -9.7264 -9.3822 -9.3822 -1.0715 -1.0715 -0.7116 -0.7116 -0.3108 -0.3108 0.5591 0.5591 1.1610 1.1610 1.6283 1.6283 2.0375 2.0375 2.1416 2.1416 2.5995 2.5995 2.8190 2.8190 3.3671 3.3671 3.6838 3.6838 3.7496 3.7496 5.3702 5.3702 5.8019 5.8019 7.6184 7.6184 7.9229 7.9229 12.0272 12.0272 k = 0.3002 0.5006-0.0000 ( 5454 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1598 -11.1598 -10.3226 -10.3226 -9.7182 -9.7182 -9.3849 -9.3849 -1.0719 -1.0719 -0.7109 -0.7109 -0.3001 -0.3001 0.5396 0.5396 1.1451 1.1451 1.6248 1.6248 2.0445 2.0445 2.1423 2.1423 2.5933 2.5933 2.8269 2.8269 3.3819 3.3819 3.6921 3.6921 3.7497 3.7497 5.3636 5.3636 5.7862 5.7862 7.6222 7.6222 7.9677 7.9677 12.0231 12.0231 k = 0.2825 0.5006-0.0000 ( 5449 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1637 -11.1637 -10.3227 -10.3227 -9.7096 -9.7096 -9.3877 -9.3877 -1.0732 -1.0732 -0.7103 -0.7103 -0.2874 -0.2874 0.5210 0.5210 1.1266 1.1266 1.6212 1.6212 2.0479 2.0479 2.1426 2.1426 2.5860 2.5860 2.8423 2.8423 3.3961 3.3961 3.7006 3.7006 3.7499 3.7499 5.3563 5.3563 5.7694 5.7694 7.6258 7.6258 8.0144 8.0144 12.0197 12.0197 k = 0.2648 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1676 -11.1676 -10.3228 -10.3228 -9.7009 -9.7009 -9.3906 -9.3906 -1.0754 -1.0754 -0.7097 -0.7097 -0.2727 -0.2727 0.5035 0.5035 1.1053 1.1053 1.6175 1.6175 2.0481 2.0481 2.1425 2.1425 2.5774 2.5774 2.8652 2.8652 3.4095 3.4095 3.7091 3.7091 3.7504 3.7504 5.3484 5.3484 5.7517 5.7517 7.6292 7.6292 8.0623 8.0623 12.0171 12.0171 k = 0.2472 0.5006-0.0000 ( 5449 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1715 -11.1715 -10.3229 -10.3229 -9.6920 -9.6920 -9.3936 -9.3936 -1.0783 -1.0783 -0.7093 -0.7093 -0.2558 -0.2558 0.4872 0.4872 1.0814 1.0814 1.6139 1.6139 2.0458 2.0458 2.1420 2.1420 2.5674 2.5674 2.8947 2.8947 3.4220 3.4220 3.7174 3.7174 3.7513 3.7513 5.3400 5.3400 5.7334 5.7334 7.6324 7.6324 8.1108 8.1108 12.0155 12.0155 k = 0.2295 0.5006-0.0000 ( 5453 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1754 -11.1754 -10.3230 -10.3230 -9.6830 -9.6830 -9.3967 -9.3967 -1.0821 -1.0821 -0.7089 -0.7089 -0.2368 -0.2368 0.4721 0.4721 1.0549 1.0549 1.6103 1.6103 2.0415 2.0415 2.1411 2.1411 2.5567 2.5567 2.9296 2.9296 3.4335 3.4335 3.7249 3.7249 3.7530 3.7530 5.3309 5.3309 5.7146 5.7146 7.6356 7.6356 8.1593 8.1593 12.0145 12.0145 k = 0.2119 0.5006-0.0000 ( 5446 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1793 -11.1793 -10.3231 -10.3231 -9.6742 -9.6742 -9.3998 -9.3998 -1.0865 -1.0865 -0.7085 -0.7085 -0.2157 -0.2157 0.4583 0.4583 1.0260 1.0260 1.6069 1.6069 2.0360 2.0360 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 5.6956 5.6956 7.6386 7.6386 8.2073 8.2073 12.0137 12.0137 k = 0.1942 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1830 -11.1830 -10.3232 -10.3232 -9.6654 -9.6654 -9.4029 -9.4029 -1.0915 -1.0915 -0.7082 -0.7082 -0.1927 -0.1927 0.4459 0.4459 0.9949 0.9949 1.6036 1.6036 2.0297 2.0297 2.1388 2.1388 2.5344 2.5344 3.0099 3.0099 3.4532 3.4532 3.7348 3.7348 3.7611 3.7611 5.3114 5.3114 5.6767 5.6767 7.6415 7.6415 8.2541 8.2541 12.0120 12.0120 k = 0.1766 0.5006-0.0000 ( 5447 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1865 -11.1865 -10.3233 -10.3233 -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 3.4613 3.4613 3.7369 3.7369 3.7676 3.7676 5.3011 5.3011 5.6581 5.6581 7.6443 7.6443 8.2993 8.2993 12.0081 12.0081 k = 0.1589 0.5006-0.0000 ( 5443 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1898 -11.1898 -10.3233 -10.3233 -9.6489 -9.6489 -9.4090 -9.4090 -1.1025 -1.1025 -0.7078 -0.7078 -0.1422 -0.1422 0.4252 0.4252 0.9280 0.9280 1.5977 1.5977 2.0165 2.0165 2.1362 2.1362 2.5135 2.5135 3.0959 3.0959 3.4681 3.4681 3.7377 3.7377 3.7748 3.7748 5.2906 5.2906 5.6402 5.6402 7.6470 7.6470 8.3421 8.3421 12.0003 12.0003 k = 0.1413 0.5006-0.0000 ( 5445 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1929 -11.1929 -10.3234 -10.3234 -9.6413 -9.6413 -9.4120 -9.4120 -1.1081 -1.1081 -0.7077 -0.7077 -0.1155 -0.1155 0.4170 0.4170 0.8931 0.8931 1.5951 1.5951 2.0103 2.0103 2.1350 2.1350 2.5041 2.5041 3.1382 3.1382 3.4737 3.4737 3.7377 3.7377 3.7822 3.7822 5.2801 5.2801 5.6232 5.6232 7.6494 7.6494 8.3822 8.3822 11.9884 11.9884 k = 0.1236 0.5006-0.0000 ( 5438 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1957 -11.1957 -10.3234 -10.3234 -9.6342 -9.6342 -9.4148 -9.4148 -1.1136 -1.1136 -0.7076 -0.7076 -0.0886 -0.0886 0.4101 0.4101 0.8582 0.8582 1.5928 1.5928 2.0045 2.0045 2.1339 2.1339 2.4957 2.4957 3.1789 3.1789 3.4779 3.4779 3.7373 3.7373 3.7892 3.7892 5.2698 5.2698 5.6076 5.6076 7.6517 7.6517 8.4189 8.4189 11.9737 11.9737 k = 0.1059 0.5006-0.0000 ( 5433 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1982 -11.1982 -10.3235 -10.3235 -9.6278 -9.6278 -9.4174 -9.4174 -1.1188 -1.1188 -0.7075 -0.7075 -0.0622 -0.0622 0.4047 0.4047 0.8240 0.8240 1.5908 1.5908 1.9994 1.9994 2.1328 2.1328 2.4883 2.4883 3.2170 3.2170 3.4809 3.4809 3.7365 3.7365 3.7958 3.7958 5.2600 5.2600 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2003 -11.2003 -10.3235 -10.3235 -9.6222 -9.6222 -9.4198 -9.4198 -1.1235 -1.1235 -0.7074 -0.7074 -0.0370 -0.0370 0.4006 0.4006 0.7917 0.7917 1.5891 1.5891 1.9951 1.9951 2.1319 2.1319 2.4820 2.4820 3.2518 3.2518 3.4826 3.4826 3.7355 3.7355 3.8016 3.8016 5.2510 5.2510 5.5811 5.5811 7.6555 7.6555 8.4806 8.4806 11.9429 11.9429 k = 0.0706 0.5006-0.0000 ( 5435 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2021 -11.2021 -10.3235 -10.3235 -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 1.9915 1.9915 2.1311 2.1311 2.4768 2.4768 3.2823 3.2823 3.4831 3.4831 3.7344 3.7344 3.8065 3.8065 5.2429 5.2429 5.5708 5.5708 7.6570 7.6570 8.5047 8.5047 11.9295 11.9295 k = 0.0530 0.5006-0.0000 ( 5436 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2035 -11.2035 -10.3235 -10.3235 -9.6136 -9.6136 -9.4235 -9.4235 -1.1307 -1.1307 -0.7073 -0.7073 0.0052 0.0052 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 3.7334 3.7334 3.8105 3.8105 5.2363 5.2363 5.5625 5.5625 7.6582 7.6582 8.5238 8.5238 11.9184 11.9184 k = 0.0353 0.5006-0.0000 ( 5442 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2045 -11.2045 -10.3235 -10.3235 -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 1.9866 1.9866 2.1299 2.1299 2.4698 2.4698 3.3272 3.3272 3.4815 3.4815 3.7326 3.7326 3.8134 3.8134 5.2313 5.2313 5.5566 5.5566 7.6591 7.6591 8.5376 8.5376 11.9102 11.9102 k = 0.0177 0.5006-0.0000 ( 5453 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2051 -11.2051 -10.3235 -10.3235 -9.6091 -9.6091 -9.4255 -9.4255 -1.1346 -1.1346 -0.7072 -0.7072 0.0296 0.0296 0.3953 0.3953 0.7050 0.7050 1.5853 1.5853 1.9854 1.9854 2.1296 2.1296 2.4681 2.4681 3.3395 3.3395 3.4804 3.4804 3.7320 3.7320 3.8151 3.8151 5.2282 5.2282 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2053 -11.2053 -10.3235 -10.3235 -9.6085 -9.6085 -9.4258 -9.4258 -1.1351 -1.1351 -0.7072 -0.7072 0.0328 0.0328 0.3953 0.3953 0.7007 0.7007 1.5851 1.5851 1.9850 1.9850 2.1296 2.1296 2.4675 2.4675 3.3437 3.3437 3.4799 3.4799 3.7318 3.7318 3.8157 3.8157 5.2272 5.2272 5.5518 5.5518 7.6598 7.6598 8.5488 8.5488 11.9035 11.9035 k = 0.0000 0.5006-0.0000 ( 5452 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2053 -11.2053 -10.3235 -10.3235 -9.6085 -9.6085 -9.4258 -9.4258 -1.1351 -1.1351 -0.7072 -0.7072 0.0328 0.0328 0.3953 0.3953 0.7007 0.7007 1.5851 1.5851 1.9850 1.9850 2.1296 2.1296 2.4675 2.4675 3.3437 3.3437 3.4799 3.4799 3.7318 3.7318 3.8157 3.8157 5.2272 5.2272 5.5518 5.5518 7.6598 7.6598 8.5488 8.5488 11.9035 11.9035 k = 0.0000 0.5006 0.0179 ( 5450 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.2045 -11.2045 -10.3237 -10.3237 -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 1.9701 1.9701 2.1437 2.1437 2.4672 2.4672 3.3444 3.3444 3.4794 3.4794 3.7298 3.7298 3.8207 3.8207 5.2265 5.2265 5.5513 5.5513 7.6567 7.6567 8.5488 8.5488 11.9098 11.9098 k = 0.0000 0.5006 0.0359 ( 5444 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.2022 -11.2022 -10.3242 -10.3242 -9.6080 -9.6080 -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 3.3464 3.3464 3.4778 3.4778 3.7239 3.7239 3.8353 3.8353 5.2246 5.2246 5.5500 5.5500 7.6474 7.6474 8.5486 8.5486 11.9287 11.9287 k = 0.0000 0.5006 0.0538 ( 5444 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2712 -37.2712 -11.1982 -11.1982 -10.3251 -10.3251 -9.6074 -9.6074 -9.4241 -9.4241 -1.1231 -1.1231 -0.7059 -0.7059 0.0351 0.0351 0.4009 0.4009 0.6997 0.6997 1.5275 1.5275 1.8936 1.8936 2.2142 2.2142 2.4652 2.4652 3.3496 3.3496 3.4750 3.4750 3.7143 3.7143 3.8586 3.8586 5.2213 5.2213 5.5478 5.5478 7.6323 7.6323 8.5484 8.5484 11.9598 11.9598 k = 0.0000 0.5006 0.0718 ( 5440 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4302 -37.4302 -37.2713 -37.2713 -11.1927 -11.1927 -10.3263 -10.3263 -9.6066 -9.6066 -9.4227 -9.4227 -1.1138 -1.1138 -0.7048 -0.7048 0.0368 0.0368 0.4053 0.4053 0.6987 0.6987 1.4847 1.4847 1.8484 1.8484 2.2535 2.2535 2.4643 2.4643 3.3540 3.3540 3.4710 3.4710 3.7013 3.7013 3.8896 3.8896 5.2168 5.2168 5.5449 5.5449 7.6118 7.6118 8.5481 8.5481 12.0026 12.0026 k = 0.0000 0.5006 0.0897 ( 5442 PWs) bands (ev): -81.1254 -81.1254 -49.5215 -49.5215 -37.4303 -37.4303 -37.2715 -37.2715 -11.1857 -11.1857 -10.3278 -10.3278 -9.6055 -9.6055 -9.4210 -9.4210 -1.1018 -1.1018 -0.7033 -0.7033 0.0389 0.0389 0.4108 0.4108 0.6970 0.6970 1.4319 1.4319 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 5.5412 5.5412 7.5866 7.5866 8.5475 8.5475 12.0563 12.0563 k = 0.0000 0.5006 0.1077 ( 5448 PWs) bands (ev): -81.1254 -81.1254 -49.5215 -49.5215 -37.4305 -37.4305 -37.2717 -37.2717 -11.1771 -11.1771 -10.3297 -10.3297 -9.6042 -9.6042 -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 2.4692 2.4692 3.3656 3.3656 3.4584 3.4584 3.6661 3.6661 3.9693 3.9693 5.2044 5.2044 5.5369 5.5369 7.5574 7.5574 8.5469 8.5469 12.1195 12.1195 k = 0.0000 0.5006 0.1256 ( 5454 PWs) bands (ev): -81.1254 -81.1254 -49.5216 -49.5216 -37.4307 -37.4307 -37.2719 -37.2719 -11.1671 -11.1671 -10.3319 -10.3319 -9.6028 -9.6028 -9.4165 -9.4165 -1.0703 -1.0703 -0.6988 -0.6988 0.0444 0.0444 0.4250 0.4250 0.6908 0.6908 1.3017 1.3017 1.7112 1.7112 2.3472 2.3472 2.4802 2.4802 3.3723 3.3723 3.4497 3.4497 3.6447 3.6447 4.0152 4.0152 5.1966 5.1966 5.5321 5.5321 7.5249 7.5249 8.5460 8.5460 12.1888 12.1888 k = 0.0000 0.5006 0.1435 ( 5452 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4309 -37.4309 -37.2722 -37.2722 -11.1556 -11.1556 -10.3345 -10.3345 -9.6011 -9.6011 -9.4137 -9.4137 -1.0508 -1.0508 -0.6956 -0.6956 0.0477 0.0477 0.4335 0.4335 0.6855 0.6855 1.2272 1.2272 1.6677 1.6677 2.3597 2.3597 2.5007 2.5007 3.3786 3.3786 3.4394 3.4394 3.6214 3.6214 4.0634 4.0634 5.1879 5.1879 5.5268 5.5268 7.4902 7.4902 8.5450 8.5450 12.2431 12.2431 k = 0.0000 0.5006 0.1615 ( 5446 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4311 -37.4311 -37.2724 -37.2724 -11.1426 -11.1426 -10.3373 -10.3373 -9.5992 -9.5992 -9.4105 -9.4105 -1.0290 -1.0290 -0.6916 -0.6916 0.0513 0.0513 0.4424 0.4424 0.6784 0.6784 1.1483 1.1483 1.6264 1.6264 2.3618 2.3618 2.5293 2.5293 3.3830 3.3830 3.4287 3.4287 3.5969 3.5969 4.1127 4.1127 5.1785 5.1785 5.5212 5.5212 7.4542 7.4542 8.5436 8.5436 12.2787 12.2787 k = 0.0000 0.5006 0.1794 ( 5448 PWs) bands (ev): -81.1254 -81.1254 -49.5218 -49.5218 -37.4313 -37.4313 -37.2728 -37.2728 -11.1283 -11.1283 -10.3404 -10.3404 -9.5972 -9.5972 -9.4070 -9.4070 -1.0049 -1.0049 -0.6869 -0.6869 0.0551 0.0551 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 3.4216 3.4216 3.5718 3.5718 4.1619 4.1619 5.1684 5.1684 5.5154 5.5154 7.4175 7.4175 8.5420 8.5420 12.3137 12.3137 k = 0.0000 0.5006 0.1974 ( 5456 PWs) bands (ev): -81.1254 -81.1254 -49.5219 -49.5219 -37.4316 -37.4316 -37.2731 -37.2731 -11.1126 -11.1126 -10.3439 -10.3439 -9.5951 -9.5951 -9.4032 -9.4032 -0.9787 -0.9787 -0.6811 -0.6811 0.0591 0.0591 0.4594 0.4594 0.6574 0.6574 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 4.2102 4.2102 5.1579 5.1579 5.5094 5.5094 7.3811 7.3811 8.5401 8.5401 12.3503 12.3503 k = 0.0000 0.5006 0.2153 ( 5448 PWs) bands (ev): -81.1254 -81.1254 -49.5220 -49.5220 -37.4319 -37.4319 -37.2735 -37.2735 -11.0956 -11.0956 -10.3476 -10.3476 -9.5928 -9.5928 -9.3990 -9.3990 -0.9505 -0.9505 -0.6743 -0.6743 0.0632 0.0632 0.4647 0.4647 0.6431 0.6431 0.9023 0.9023 1.5209 1.5209 2.3326 2.3326 2.6345 2.6345 3.3434 3.3434 3.4276 3.4276 3.5227 3.5227 4.2568 4.2568 5.1470 5.1470 5.5033 5.5033 7.3459 7.3459 8.5378 8.5378 12.3886 12.3886 k = 0.0000 0.5006 0.2333 ( 5452 PWs) bands (ev): -81.1254 -81.1254 -49.5221 -49.5221 -37.4322 -37.4322 -37.2738 -37.2738 -11.0774 -11.0774 -10.3516 -10.3516 -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 2.6707 2.6707 3.3142 3.3142 3.4343 3.4343 3.4995 3.4995 4.3010 4.3010 5.1360 5.1360 5.4972 5.4972 7.3126 7.3126 8.5351 8.5351 12.4280 12.4280 k = 0.0000 0.5006 0.2512 ( 5454 PWs) bands (ev): -81.1253 -81.1253 -49.5222 -49.5222 -37.4325 -37.4325 -37.2742 -37.2742 -11.0581 -11.0581 -10.3558 -10.3558 -9.5881 -9.5881 -9.3897 -9.3897 -0.8889 -0.8889 -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 4.3422 4.3422 5.1250 5.1250 5.4910 5.4910 7.2817 7.2817 8.5321 8.5321 12.4678 12.4678 k = 0.0000 0.5006 0.2691 ( 5460 PWs) bands (ev): -81.1253 -81.1253 -49.5223 -49.5223 -37.4329 -37.4329 -37.2747 -37.2747 -11.0376 -11.0376 -10.3603 -10.3603 -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 2.2740 2.2740 2.7411 2.7411 3.2429 3.2429 3.4408 3.4408 3.4620 3.4620 4.3801 4.3801 5.1142 5.1142 5.4847 5.4847 7.2540 7.2540 8.5288 8.5288 12.5071 12.5071 k = 0.0000 0.5006 0.2871 ( 5454 PWs) bands (ev): -81.1253 -81.1253 -49.5224 -49.5224 -37.4332 -37.4332 -37.2751 -37.2751 -11.0161 -11.0161 -10.3650 -10.3650 -9.5832 -9.5832 -9.3793 -9.3793 -0.8223 -0.8223 -0.6341 -0.6341 0.0785 0.0785 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 5.4783 5.4783 7.2299 7.2299 8.5252 8.5252 12.5450 12.5450 k = 0.0000 0.5006 0.3050 ( 5454 PWs) bands (ev): -81.1253 -81.1253 -49.5225 -49.5225 -37.4336 -37.4336 -37.2755 -37.2755 -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 0.3049 0.3049 0.5333 0.5333 0.6891 0.6891 1.4235 1.4235 2.2221 2.2221 2.8078 2.8078 3.1601 3.1601 3.4039 3.4039 3.4651 3.4651 4.4448 4.4448 5.0933 5.0933 5.4718 5.4718 7.2099 7.2099 8.5212 8.5212 12.5801 12.5801 k = 0.0000 0.5006 0.3230 ( 5454 PWs) bands (ev): -81.1253 -81.1253 -49.5227 -49.5227 -37.4340 -37.4340 -37.2759 -37.2759 -10.9702 -10.9702 -10.3749 -10.3749 -9.5784 -9.5784 -9.3680 -9.3680 -0.7539 -0.7539 -0.6056 -0.6056 0.0807 0.0807 0.2349 0.2349 0.4984 0.4984 0.7005 0.7005 1.4154 1.4154 2.1926 2.1926 2.8394 2.8394 3.1161 3.1161 3.3806 3.3806 3.4691 3.4691 4.4714 4.4714 5.0834 5.0834 5.4651 5.4651 7.1941 7.1941 8.5172 8.5172 12.6113 12.6113 k = 0.0000 0.5006 0.3409 ( 5462 PWs) bands (ev): -81.1253 -81.1253 -49.5228 -49.5228 -37.4345 -37.4345 -37.2764 -37.2764 -10.9460 -10.9460 -10.3801 -10.3801 -9.5760 -9.5760 -9.3620 -9.3620 -0.7203 -0.7203 -0.5899 -0.5899 0.0735 0.0735 0.1699 0.1699 0.4620 0.4620 0.7189 0.7189 1.4102 1.4102 2.1609 2.1609 2.8696 2.8696 3.0710 3.0710 3.3560 3.3560 3.4721 3.4721 4.4941 4.4941 5.0740 5.0740 5.4581 5.4581 7.1830 7.1830 8.5129 8.5129 12.6373 12.6373 k = 0.0000 0.5006 0.3588 ( 5464 PWs) bands (ev): -81.1252 -81.1252 -49.5229 -49.5229 -37.4349 -37.4349 -37.2768 -37.2768 -10.9212 -10.9212 -10.3854 -10.3854 -9.5738 -9.5738 -9.3558 -9.3558 -0.6879 -0.6879 -0.5745 -0.5745 0.0444 0.0444 0.1287 0.1287 0.4247 0.4247 0.7417 0.7417 1.4073 1.4073 2.1272 2.1272 2.8983 2.8983 3.0255 3.0255 3.3303 3.3303 3.4738 3.4738 4.5131 4.5131 5.0649 5.0649 5.4508 5.4508 7.1766 7.1766 8.5087 8.5087 12.6571 12.6571 k = 0.0000 0.5006 0.3768 ( 5456 PWs) bands (ev): -81.1252 -81.1252 -49.5230 -49.5230 -37.4353 -37.4353 -37.2773 -37.2773 -10.8957 -10.8957 -10.3908 -10.3908 -9.5717 -9.5717 -9.3495 -9.3495 -0.6576 -0.6576 -0.5609 -0.5609 -0.0069 -0.0069 0.1153 0.1153 0.3875 0.3875 0.7676 0.7676 1.4061 1.4061 2.0918 2.0918 2.9244 2.9244 2.9809 2.9809 3.3033 3.3033 3.4741 3.4741 4.5285 4.5285 5.0562 5.0562 5.4431 5.4431 7.1749 7.1749 8.5046 8.5046 12.6700 12.6700 k = 0.0000 0.5006 0.3947 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5232 -49.5232 -37.4358 -37.4358 -37.2777 -37.2777 -10.8697 -10.8697 -10.3963 -10.3963 -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 3.2751 3.2751 3.4729 3.4729 4.5404 4.5404 5.0477 5.0477 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): -81.1252 -81.1252 -49.5233 -49.5233 -37.4362 -37.4362 -37.2782 -37.2782 -10.8433 -10.8433 -10.4018 -10.4018 -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 3.4700 3.4700 4.5492 4.5492 5.0394 5.0394 5.4265 5.4265 7.1854 7.1854 8.4969 8.4969 12.6748 12.6748 k = 0.0000 0.5006 0.4306 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5234 -49.5234 -37.4367 -37.4367 -37.2786 -37.2786 -10.8166 -10.8166 -10.4073 -10.4073 -9.5664 -9.5664 -9.3301 -9.3301 -0.6170 -0.6170 -0.5339 -0.5339 -0.1107 -0.1107 0.0997 0.0997 0.2852 0.2852 0.8575 0.8575 1.4056 1.4056 1.9799 1.9799 2.8384 2.8384 3.0040 3.0040 3.2157 3.2157 3.4654 3.4654 4.5550 4.5550 5.0310 5.0310 5.4177 5.4177 7.1973 7.1973 8.4935 8.4935 12.6679 12.6679 k = 0.0000 0.5006 0.4486 ( 5466 PWs) bands (ev): -81.1251 -81.1251 -49.5236 -49.5236 -37.4372 -37.4372 -37.2790 -37.2790 -10.7897 -10.7897 -10.4129 -10.4129 -9.5651 -9.5651 -9.3235 -9.3235 -0.6463 -0.6463 -0.5120 -0.5120 -0.1087 -0.1087 0.0889 0.0889 0.2591 0.2591 0.8904 0.8904 1.4036 1.4036 1.9429 1.9429 2.7934 2.7934 3.0257 3.0257 3.1851 3.1851 3.4592 3.4592 4.5578 4.5578 5.0226 5.0226 5.4087 5.4087 7.2133 7.2133 8.4907 8.4907 12.6560 12.6560 k = 0.0000 0.5006 0.4665 ( 5468 PWs) bands (ev): -81.1251 -81.1251 -49.5237 -49.5237 -37.4376 -37.4376 -37.2795 -37.2795 -10.7628 -10.7628 -10.4183 -10.4183 -9.5640 -9.5640 -9.3170 -9.3170 -0.6924 -0.6924 -0.4848 -0.4848 -0.0908 -0.0908 0.0726 0.0726 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 3.4514 3.4514 4.5579 4.5579 5.0140 5.0140 5.3997 5.3997 7.2330 7.2330 8.4884 8.4884 12.6403 12.6403 k = 0.0000 0.5006 0.4844 ( 5468 PWs) bands (ev): -81.1251 -81.1251 -49.5238 -49.5238 -37.4381 -37.4381 -37.2799 -37.2799 -10.7360 -10.7360 -10.4237 -10.4237 -9.5631 -9.5631 -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 4.5553 4.5553 5.0052 5.0052 5.3909 5.3909 7.2562 7.2562 8.4866 8.4866 12.6220 12.6220 k = 0.0000 0.5006 0.5024 ( 5464 PWs) bands (ev): -81.1251 -81.1251 -49.5239 -49.5239 -37.4385 -37.4385 -37.2803 -37.2803 -10.7093 -10.7093 -10.4290 -10.4290 -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 1.3770 1.3770 1.8470 1.8470 2.6622 2.6622 3.0603 3.0603 3.1138 3.1138 3.4313 3.4313 4.5499 4.5499 4.9962 4.9962 5.3825 5.3825 7.2823 7.2823 8.4856 8.4856 12.6021 12.6021 k = 0.0000 0.5006 0.5203 ( 5462 PWs) bands (ev): -81.1251 -81.1251 -49.5241 -49.5241 -37.4390 -37.4390 -37.2806 -37.2806 -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 1.3577 1.3577 1.8239 1.8239 2.6198 2.6198 3.0393 3.0393 3.1202 3.1202 3.4193 3.4193 4.5418 4.5418 4.9871 4.9871 5.3747 5.3747 7.3109 7.3109 8.4851 8.4851 12.5815 12.5815 k = 0.0000 0.5006 0.5383 ( 5466 PWs) bands (ev): -81.1250 -81.1250 -49.5242 -49.5242 -37.4394 -37.4394 -37.2810 -37.2810 -10.6573 -10.6573 -10.4391 -10.4391 -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 3.1337 3.1337 3.4063 3.4063 4.5308 4.5308 4.9780 4.9780 5.3676 5.3676 7.3415 7.3415 8.4853 8.4853 12.5609 12.5609 k = 0.0000 0.5006 0.5562 ( 5470 PWs) bands (ev): -81.1250 -81.1250 -49.5243 -49.5243 -37.4398 -37.4398 -37.2813 -37.2813 -10.6321 -10.6321 -10.4439 -10.4439 -9.5624 -9.5624 -9.2858 -9.2858 -0.9910 -0.9910 -0.3255 -0.3255 -0.0588 -0.0588 0.1053 0.1053 0.2151 0.2151 1.1048 1.1048 1.3017 1.3017 1.7945 1.7945 2.5364 2.5364 2.9811 2.9811 3.1481 3.1481 3.3925 3.3925 4.5169 4.5169 4.9692 4.9692 5.3614 5.3614 7.3737 7.3737 8.4861 8.4861 12.5408 12.5408 k = 0.0000 0.5006 0.5742 ( 5474 PWs) bands (ev): -81.1250 -81.1250 -49.5244 -49.5244 -37.4402 -37.4402 -37.2817 -37.2817 -10.6078 -10.6078 -10.4485 -10.4485 -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 4.5002 4.5002 4.9608 4.9608 5.3561 5.3561 7.4068 7.4068 8.4875 8.4875 12.5216 12.5216 k = 0.0000 0.5006 0.5921 ( 5474 PWs) bands (ev): -81.1250 -81.1250 -49.5245 -49.5245 -37.4406 -37.4406 -37.2820 -37.2820 -10.5844 -10.5844 -10.4528 -10.4528 -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 1.2463 1.2463 1.7853 1.7853 2.4538 2.4538 2.9252 2.9252 3.1755 3.1755 3.3633 3.3633 4.4810 4.4810 4.9532 4.9532 5.3518 5.3518 7.4404 7.4404 8.4894 8.4894 12.5038 12.5038 k = 0.0000 0.5006 0.6100 ( 5478 PWs) bands (ev): -81.1250 -81.1250 -49.5246 -49.5246 -37.4410 -37.4410 -37.2822 -37.2822 -10.5621 -10.5621 -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 0.2562 0.2562 1.1374 1.1374 1.2566 1.2566 1.7861 1.7861 2.4123 2.4123 2.9003 2.9003 3.1878 3.1878 3.3486 3.3486 4.4594 4.4594 4.9463 4.9463 5.3484 5.3484 7.4739 7.4739 8.4917 8.4917 12.4873 12.4873 k = 0.0000 0.5006 0.6280 ( 5486 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4413 -37.4413 -37.2825 -37.2825 -10.5412 -10.5412 -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 3.1990 3.1990 3.3342 3.3342 4.4359 4.4359 4.9404 4.9404 5.3458 5.3458 7.5068 7.5068 8.4943 8.4943 12.4725 12.4725 k = 0.0000 0.5006 0.6459 ( 5486 PWs) bands (ev): -81.1250 -81.1250 -49.5248 -49.5248 -37.4417 -37.4417 -37.2827 -37.2827 -10.5219 -10.5219 -10.4635 -10.4635 -9.5668 -9.5668 -9.2604 -9.2604 -1.2479 -1.2479 -0.2475 -0.2475 -0.0686 -0.0686 0.2161 0.2161 0.3336 0.3336 1.0455 1.0455 1.3261 1.3261 1.7939 1.7939 2.3281 2.3281 2.8587 2.8587 3.2089 3.2089 3.3203 3.3203 4.4112 4.4112 4.9354 4.9354 5.3440 5.3440 7.5385 7.5385 8.4972 8.4972 12.4592 12.4592 k = 0.0000 0.5006 0.6639 ( 5482 PWs) bands (ev): -81.1250 -81.1250 -49.5248 -49.5248 -37.4420 -37.4420 -37.2829 -37.2829 -10.5046 -10.5046 -10.4658 -10.4658 -9.5681 -9.5681 -9.2564 -9.2564 -1.2879 -1.2879 -0.2603 -0.2603 -0.0336 -0.0336 0.2190 0.2190 0.3709 0.3709 0.9928 0.9928 1.3658 1.3658 1.7995 1.7995 2.2855 2.2855 2.8425 2.8425 3.2175 3.2175 3.3075 3.3075 4.3860 4.3860 4.9313 4.9313 5.3428 5.3428 7.5685 7.5685 8.5001 8.5001 12.4477 12.4477 k = 0.0000 0.5006 0.6818 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4422 -37.4422 -37.2831 -37.2831 -10.4903 -10.4903 -10.4665 -10.4665 -9.5694 -9.5694 -9.2527 -9.2527 -1.3237 -1.3237 -0.2747 -0.2747 0.0055 0.0055 0.2213 0.2213 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 4.3610 4.3610 4.9281 4.9281 5.3420 5.3420 7.5963 7.5963 8.5031 8.5031 12.4377 12.4377 k = 0.0000 0.5006 0.6998 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4424 -37.4424 -37.2833 -37.2833 -10.4819 -10.4819 -10.4628 -10.4628 -9.5707 -9.5707 -9.2495 -9.2495 -1.3550 -1.3550 -0.2886 -0.2886 0.0462 0.0462 0.2233 0.2233 0.4365 0.4365 0.8858 0.8858 1.4463 1.4463 1.8113 1.8113 2.2005 2.2005 2.8188 2.8188 3.2295 3.2295 3.2868 3.2868 4.3371 4.3371 4.9256 4.9256 5.3417 5.3417 7.6214 7.6214 8.5059 8.5059 12.4293 12.4293 k = 0.0000 0.5006 0.7177 ( 5472 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4426 -37.4426 -37.2834 -37.2834 -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 0.4642 0.4642 0.8338 0.8338 1.4854 1.4854 1.8167 1.8167 2.1595 2.1595 2.8109 2.8109 3.2323 3.2323 3.2800 3.2800 4.3152 4.3152 4.9237 4.9237 5.3416 5.3416 7.6435 7.6435 8.5086 8.5086 12.4225 12.4225 k = 0.0000 0.5006 0.7356 ( 5482 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4428 -37.4428 -37.2835 -37.2835 -10.4805 -10.4805 -10.4450 -10.4450 -9.5730 -9.5730 -9.2445 -9.2445 -1.4036 -1.4036 -0.3118 -0.3118 0.1258 0.1258 0.2263 0.2263 0.4881 0.4881 0.7846 0.7846 1.5225 1.5225 1.8213 1.8213 2.1209 2.1209 2.8052 2.8052 3.2328 3.2328 3.2759 3.2759 4.2959 4.2959 4.9223 4.9223 5.3416 5.3416 7.6621 7.6621 8.5109 8.5109 12.4170 12.4170 k = 0.0000 0.5006 0.7536 ( 5484 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4429 -37.4429 -37.2836 -37.2836 -10.4813 -10.4813 -10.4373 -10.4373 -9.5739 -9.5739 -9.2428 -9.2428 -1.4208 -1.4208 -0.3203 -0.3203 0.1612 0.1612 0.2272 0.2272 0.5085 0.5085 0.7398 0.7398 1.5559 1.5559 1.8249 1.8249 2.0864 2.0864 2.8013 2.8013 3.2316 3.2316 3.2741 3.2741 4.2801 4.2801 4.9214 4.9214 5.3417 5.3417 7.6769 7.6769 8.5127 8.5127 12.4128 12.4128 k = 0.0000 0.5006 0.7715 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4820 -10.4820 -10.4316 -10.4316 -9.5745 -9.5745 -9.2415 -9.2415 -1.4331 -1.4331 -0.3264 -0.3264 0.1905 0.1905 0.2275 0.2275 0.5251 0.5251 0.7022 0.7022 1.5832 1.5832 1.8274 1.8274 2.0583 2.0583 2.7988 2.7988 3.2298 3.2298 3.2737 3.2737 4.2683 4.2683 4.9207 4.9207 5.3418 5.3418 7.6877 7.6877 8.5141 8.5141 12.4099 12.4099 k = 0.0000 0.5006 0.7895 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4825 -10.4825 -10.4281 -10.4281 -9.5749 -9.5749 -9.2407 -9.2407 -1.4405 -1.4405 -0.3301 -0.3301 0.2109 0.2109 0.2269 0.2269 0.5371 0.5371 0.6756 0.6756 1.6015 1.6015 1.8288 1.8288 2.0397 2.0397 2.7974 2.7974 3.2283 3.2283 3.2738 3.2738 4.2610 4.2610 4.9204 4.9204 5.3419 5.3419 7.6942 7.6942 8.5150 8.5150 12.4082 12.4082 k = 0.0000 0.5006 0.8074 ( 5504 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4827 -10.4827 -10.4269 -10.4269 -9.5751 -9.5751 -9.2405 -9.2405 -1.4430 -1.4430 -0.3314 -0.3314 0.2197 0.2197 0.2251 0.2251 0.5417 0.5417 0.6656 0.6656 1.6081 1.6081 1.8292 1.8292 2.0331 2.0331 2.7970 2.7970 3.2278 3.2278 3.2739 3.2739 4.2585 4.2585 4.9203 4.9203 5.3420 5.3420 7.6964 7.6964 8.5153 8.5153 12.4076 12.4076 k = 0.0000 0.5006 0.8074 ( 5504 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4827 -10.4827 -10.4269 -10.4269 -9.5751 -9.5751 -9.2405 -9.2405 -1.4430 -1.4430 -0.3314 -0.3314 0.2197 0.2197 0.2251 0.2251 0.5417 0.5417 0.6656 0.6656 1.6081 1.6081 1.8292 1.8292 2.0331 2.0331 2.7970 2.7970 3.2278 3.2278 3.2739 3.2739 4.2585 4.2585 4.9203 4.9203 5.3420 5.3420 7.6964 7.6964 8.5153 8.5153 12.4076 12.4076 k = 0.0177 0.5006 0.8074 ( 5500 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4828 -10.4828 -10.4268 -10.4268 -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 2.0352 2.0352 2.7965 2.7965 3.2292 3.2292 3.2740 3.2740 4.2586 4.2586 4.9204 4.9204 5.3417 5.3417 7.6963 7.6963 8.5150 8.5150 12.3958 12.3958 k = 0.0353 0.5006 0.8074 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4830 -10.4830 -10.4265 -10.4265 -9.5760 -9.5760 -9.2392 -9.2392 -1.4439 -1.4439 -0.3331 -0.3331 0.1803 0.1803 0.2549 0.2549 0.5378 0.5378 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 4.2588 4.2588 4.9209 4.9209 5.3408 5.3408 7.6960 7.6960 8.5144 8.5144 12.3628 12.3628 k = 0.0530 0.5006 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4834 -10.4834 -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 0.5328 0.5328 0.6647 0.6647 1.6164 1.6164 1.8509 1.8509 2.0514 2.0514 2.7927 2.7927 3.2407 3.2407 3.2747 3.2747 4.2590 4.2590 4.9217 4.9217 5.3394 5.3394 7.6957 7.6957 8.5132 8.5132 12.3136 12.3136 k = 0.0706 0.5006 0.8074 ( 5486 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4839 -10.4839 -10.4254 -10.4254 -9.5788 -9.5788 -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 1.6228 1.6228 1.8672 1.8672 2.0653 2.0653 2.7897 2.7897 3.2502 3.2502 3.2755 3.2755 4.2594 4.2594 4.9227 4.9227 5.3373 5.3373 7.6951 7.6951 8.5117 8.5117 12.2535 12.2535 k = 0.0883 0.5006 0.8074 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4846 -10.4846 -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 0.5173 0.5173 0.6636 0.6636 1.6310 1.6310 1.8878 1.8878 2.0826 2.0826 2.7861 2.7861 3.2614 3.2614 3.2771 3.2771 4.2598 4.2598 4.9240 4.9240 5.3348 5.3348 7.6944 7.6944 8.5097 8.5097 12.1861 12.1861 k = 0.1059 0.5006 0.8074 ( 5476 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4854 -10.4854 -10.4237 -10.4237 -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 4.2603 4.2603 4.9254 4.9254 5.3318 5.3318 7.6936 7.6936 8.5074 8.5074 12.1141 12.1141 k = 0.1236 0.5006 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4862 -10.4862 -10.4227 -10.4227 -9.5860 -9.5860 -9.2259 -9.2259 -1.4538 -1.4538 -0.3516 -0.3516 0.0567 0.0567 0.2802 0.2802 0.4951 0.4951 0.6625 0.6625 1.6520 1.6520 1.9400 1.9400 2.1265 2.1265 2.7782 2.7782 3.2747 3.2747 3.2960 3.2960 4.2607 4.2607 4.9269 4.9269 5.3284 5.3284 7.6926 7.6926 8.5046 8.5046 12.0396 12.0396 k = 0.1413 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4872 -10.4872 -10.4216 -10.4216 -9.5890 -9.5890 -9.2218 -9.2218 -1.4572 -1.4572 -0.3573 -0.3573 0.0322 0.0322 0.2754 0.2754 0.4819 0.4819 0.6620 0.6620 1.6645 1.6645 1.9710 1.9710 2.1522 2.1522 2.7743 2.7743 3.2767 3.2767 3.3129 3.3129 4.2612 4.2612 4.9283 4.9283 5.3245 5.3245 7.6917 7.6917 8.5015 8.5015 11.9638 11.9638 k = 0.1589 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4882 -10.4882 -10.4204 -10.4204 -9.5922 -9.5922 -9.2174 -9.2174 -1.4610 -1.4610 -0.3635 -0.3635 0.0087 0.0087 0.2676 0.2676 0.4676 0.4676 0.6616 0.6616 1.6779 1.6779 2.0047 2.0047 2.1800 2.1800 2.7706 2.7706 3.2784 3.2784 3.3314 3.3314 4.2616 4.2616 4.9297 4.9297 5.3204 5.3204 7.6907 7.6907 8.4981 8.4981 11.8880 11.8880 k = 0.1766 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4892 -10.4892 -10.4191 -10.4191 -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 0.6613 0.6613 1.6920 1.6920 2.0407 2.0407 2.2093 2.2093 2.7673 2.7673 3.2803 3.2803 3.3510 3.3510 4.2619 4.2619 4.9308 4.9308 5.3160 5.3160 7.6896 7.6896 8.4942 8.4942 11.8130 11.8130 k = 0.1942 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4902 -10.4902 -10.4179 -10.4179 -9.5991 -9.5991 -9.2079 -9.2079 -1.4701 -1.4701 -0.3770 -0.3770 -0.0343 -0.0343 0.2446 0.2446 0.4364 0.4364 0.6610 0.6610 1.7066 1.7066 2.0785 2.0785 2.2398 2.2398 2.7646 2.7646 3.2823 3.2823 3.3713 3.3713 4.2622 4.2622 4.9317 4.9317 5.3114 5.3114 7.6886 7.6886 8.4901 8.4901 11.7395 11.7395 k = 0.2119 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4913 -10.4913 -10.4166 -10.4166 -9.6027 -9.6027 -9.2029 -9.2029 -1.4752 -1.4752 -0.3841 -0.3841 -0.0533 -0.0533 0.2300 0.2300 0.4199 0.4199 0.6608 0.6608 1.7213 1.7213 2.1177 2.1177 2.2709 2.2709 2.7626 2.7626 3.2847 3.2847 3.3920 3.3920 4.2623 4.2623 4.9322 4.9322 5.3067 5.3067 7.6876 7.6876 8.4857 8.4857 11.6682 11.6682 k = 0.2295 0.5006 0.8074 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4923 -10.4923 -10.4153 -10.4153 -9.6064 -9.6064 -9.1978 -9.1978 -1.4807 -1.4807 -0.3913 -0.3913 -0.0704 -0.0704 0.2137 0.2137 0.4031 0.4031 0.6606 0.6606 1.7360 1.7360 2.1578 2.1578 2.3022 2.3022 2.7615 2.7615 3.2873 3.2873 3.4128 3.4128 4.2623 4.2623 4.9323 4.9323 5.3020 5.3020 7.6867 7.6867 8.4809 8.4809 11.5996 11.5996 k = 0.2472 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4934 -10.4934 -10.4140 -10.4140 -9.6101 -9.6101 -9.1926 -9.1926 -1.4865 -1.4865 -0.3985 -0.3985 -0.0855 -0.0855 0.1961 0.1961 0.3862 0.3862 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 4.2622 4.2622 4.9319 4.9319 5.2974 5.2974 7.6859 7.6859 8.4759 8.4759 11.5342 11.5342 k = 0.2648 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4944 -10.4944 -10.4127 -10.4127 -9.6137 -9.6137 -9.1875 -9.1875 -1.4926 -1.4926 -0.4055 -0.4055 -0.0986 -0.0986 0.1774 0.1774 0.3693 0.3693 0.6605 0.6605 1.7645 1.7645 2.2390 2.2390 2.3634 2.3634 2.7625 2.7625 3.2933 3.2933 3.4539 3.4539 4.2619 4.2619 4.9310 4.9310 5.2930 5.2930 7.6852 7.6852 8.4706 8.4706 11.4724 11.4724 k = 0.2825 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4954 -10.4954 -10.4115 -10.4115 -9.6172 -9.6172 -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 2.3924 2.3924 2.7649 2.7649 3.2967 3.2967 3.4737 3.4737 4.2614 4.2614 4.9297 4.9297 5.2887 5.2887 7.6846 7.6846 8.4649 8.4649 11.4145 11.4145 k = 0.3002 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4963 -10.4963 -10.4104 -10.4104 -9.6207 -9.6207 -9.1775 -9.1775 -1.5051 -1.5051 -0.4190 -0.4190 -0.1184 -0.1184 0.1379 0.1379 0.3368 0.3368 0.6604 0.6604 1.7907 1.7907 2.3181 2.3181 2.4195 2.4195 2.7686 2.7686 3.3002 3.3002 3.4928 3.4928 4.2608 4.2608 4.9278 4.9278 5.2847 5.2847 7.6842 7.6842 8.4591 8.4591 11.3607 11.3607 k = 0.3178 0.5006 0.8074 ( 5466 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4972 -10.4972 -10.4092 -10.4092 -9.6240 -9.6240 -9.1727 -9.1727 -1.5114 -1.5114 -0.4252 -0.4252 -0.1251 -0.1251 0.1176 0.1176 0.3215 0.3215 0.6604 0.6604 1.8026 1.8026 2.3559 2.3559 2.4445 2.4445 2.7738 2.7738 3.3039 3.3039 3.5109 3.5109 4.2601 4.2601 4.9255 4.9255 5.2811 5.2811 7.6838 7.6838 8.4530 8.4530 11.3114 11.3114 k = 0.3355 0.5006 0.8074 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4980 -10.4980 -10.4082 -10.4082 -9.6272 -9.6272 -9.1682 -9.1682 -1.5176 -1.5176 -0.4310 -0.4310 -0.1299 -0.1299 0.0973 0.0973 0.3070 0.3070 0.6605 0.6605 1.8136 1.8136 2.3919 2.3919 2.4670 2.4670 2.7804 2.7804 3.3076 3.3076 3.5279 3.5279 4.2594 4.2594 4.9229 4.9229 5.2779 5.2779 7.6836 7.6836 8.4467 8.4467 11.2667 11.2667 k = 0.3531 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4987 -10.4987 -10.4072 -10.4072 -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 2.4867 2.4867 2.7883 2.7883 3.3112 3.3112 3.5436 3.5436 4.2585 4.2585 4.9200 4.9200 5.2750 5.2750 7.6835 7.6835 8.4402 8.4402 11.2266 11.2266 k = 0.3708 0.5006 0.8074 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4994 -10.4994 -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 1.8325 1.8325 2.4570 2.4570 2.5037 2.5037 2.7971 2.7971 3.3147 3.3147 3.5579 3.5579 4.2576 4.2576 4.9171 4.9171 5.2725 5.2725 7.6834 7.6834 8.4336 8.4336 11.1912 11.1912 k = 0.3884 0.5006 0.8074 ( 5450 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5000 -10.5000 -10.4056 -10.4056 -9.6355 -9.6355 -9.1562 -9.1562 -1.5346 -1.5346 -0.4452 -0.4452 -0.1340 -0.1340 0.0389 0.0389 0.2702 0.2702 0.6607 0.6607 1.8403 1.8403 2.4853 2.4853 2.5180 2.5180 2.8065 2.8065 3.3180 3.3180 3.5707 3.5707 4.2567 4.2567 4.9142 4.9142 5.2705 5.2705 7.6835 7.6835 8.4270 8.4270 11.1605 11.1605 k = 0.4061 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5006 -10.5006 -10.4049 -10.4049 -9.6379 -9.6379 -9.1528 -9.1528 -1.5394 -1.5394 -0.4488 -0.4488 -0.1328 -0.1328 0.0216 0.0216 0.2606 0.2606 0.6607 0.6607 1.8470 1.8470 2.5100 2.5100 2.5302 2.5302 2.8160 2.8160 3.3209 3.3209 3.5818 3.5818 4.2558 4.2558 4.9114 4.9114 5.2689 5.2689 7.6835 7.6835 8.4204 8.4204 11.1344 11.1344 k = 0.4238 0.5006 0.8074 ( 5458 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5010 -10.5010 -10.4043 -10.4043 -9.6399 -9.6399 -9.1499 -9.1499 -1.5436 -1.5436 -0.4517 -0.4517 -0.1313 -0.1313 0.0062 0.0062 0.2524 0.2524 0.6608 0.6608 1.8525 1.8525 2.5291 2.5291 2.5423 2.5423 2.8249 2.8249 3.3233 3.3233 3.5912 3.5912 4.2551 4.2551 4.9089 4.9089 5.2677 5.2677 7.6836 7.6836 8.4140 8.4140 11.1129 11.1129 k = 0.4414 0.5006 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5014 -10.5014 -10.4038 -10.4038 -9.6418 -9.6418 -9.1473 -9.1473 -1.5471 -1.5471 -0.4540 -0.4540 -0.1300 -0.1300 -0.0064 -0.0064 0.2459 0.2459 0.6609 0.6609 1.8567 1.8567 2.5400 2.5400 2.5569 2.5569 2.8328 2.8328 3.3251 3.3251 3.5987 3.5987 4.2545 4.2545 4.9070 4.9070 5.2669 5.2669 7.6837 7.6837 8.4078 8.4078 11.0957 11.0957 k = 0.4591 0.5006 0.8074 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.5017 -10.5017 -10.4035 -10.4035 -9.6433 -9.6433 -9.1451 -9.1451 -1.5498 -1.5498 -0.4557 -0.4557 -0.1302 -0.1302 -0.0153 -0.0153 0.2410 0.2410 0.6609 0.6609 1.8598 1.8598 2.5459 2.5459 2.5711 2.5711 2.8392 2.8392 3.3263 3.3263 3.6044 3.6044 4.2540 4.2540 4.9056 4.9056 5.2665 5.2665 7.6839 7.6839 8.4020 8.4020 11.0829 11.0829 k = 0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5019 -10.5019 -10.4032 -10.4032 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0194 -0.0194 0.2378 0.2378 0.6610 0.6610 1.8616 1.8616 2.5492 2.5492 2.5824 2.5824 2.8437 2.8437 3.3267 3.3267 3.6082 3.6082 4.2538 4.2538 4.9048 4.9048 5.2665 5.2665 7.6840 7.6840 8.3966 8.3966 11.0741 11.0741 k = 0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5019 -10.5019 -10.4032 -10.4032 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0194 -0.0194 0.2378 0.2378 0.6610 0.6610 1.8616 1.8616 2.5492 2.5492 2.5824 2.5824 2.8437 2.8437 3.3267 3.3267 3.6082 3.6082 4.2538 4.2538 4.9048 4.9048 5.2665 5.2665 7.6840 7.6840 8.3966 8.3966 11.0741 11.0741 k = 0.4642 0.4874 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.5016 -10.5016 -10.4036 -10.4036 -9.6425 -9.6425 -9.1462 -9.1462 -1.5489 -1.5489 -0.4554 -0.4554 -0.1256 -0.1256 -0.0164 -0.0164 0.2422 0.2422 0.6609 0.6609 1.8593 1.8593 2.5447 2.5447 2.5645 2.5645 2.8374 2.8374 3.3266 3.3266 3.6028 3.6028 4.2541 4.2541 4.9056 4.9056 5.2661 5.2661 7.6838 7.6838 8.4061 8.4061 11.0869 11.0869 k = 0.4516 0.4742 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.5012 -10.5012 -10.4041 -10.4041 -9.6395 -9.6395 -9.1502 -9.1502 -1.5448 -1.5448 -0.4536 -0.4536 -0.1156 -0.1156 -0.0121 -0.0121 0.2486 0.2486 0.6608 0.6608 1.8561 1.8561 2.5337 2.5337 2.5436 2.5436 2.8289 2.8289 3.3265 3.3265 3.5953 3.5953 4.2545 4.2545 4.9066 4.9066 5.2658 5.2658 7.6837 7.6837 8.4191 8.4191 11.1052 11.1052 k = 0.4391 0.4611 0.8074 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5006 -10.5006 -10.4048 -10.4048 -9.6358 -9.6358 -9.1551 -9.1551 -1.5397 -1.5397 -0.4513 -0.4513 -0.1028 -0.1028 -0.0066 -0.0066 0.2567 0.2567 0.6606 0.6606 1.8519 1.8519 2.5030 2.5030 2.5335 2.5335 2.8185 2.8185 3.3262 3.3262 3.5854 3.5854 4.2551 4.2551 4.9081 4.9081 5.2656 5.2656 7.6834 7.6834 8.4347 8.4347 11.1292 11.1292 k = 0.4265 0.4479 0.8074 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4999 -10.4999 -10.4057 -10.4057 -9.6314 -9.6314 -9.1611 -9.1611 -1.5336 -1.5336 -0.4484 -0.4484 -0.0872 -0.0872 0.0001 0.0001 0.2665 0.2665 0.6604 0.6604 1.8468 1.8468 2.4631 2.4631 2.5242 2.5242 2.8064 2.8064 3.3259 3.3259 3.5734 3.5734 4.2558 4.2558 4.9099 4.9099 5.2657 5.2657 7.6831 7.6831 8.4522 8.4522 11.1589 11.1589 k = 0.4140 0.4347 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4991 -10.4991 -10.4067 -10.4067 -9.6264 -9.6264 -9.1678 -9.1678 -1.5268 -1.5268 -0.4450 -0.4450 -0.0690 -0.0690 0.0080 0.0080 0.2781 0.2781 0.6603 0.6603 1.8408 1.8408 2.4167 2.4167 2.5136 2.5136 2.7930 2.7930 3.3253 3.3253 3.5592 3.5592 4.2565 4.2565 4.9120 4.9120 5.2662 5.2662 7.6828 7.6828 8.4706 8.4706 11.1944 11.1944 k = 0.4015 0.4216 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4982 -10.4982 -10.4078 -10.4078 -9.6207 -9.6207 -9.1753 -9.1753 -1.5193 -1.5193 -0.4409 -0.4409 -0.0485 -0.0485 0.0172 0.0172 0.2911 0.2911 0.6600 0.6600 1.8339 1.8339 2.3650 2.3650 2.5017 2.5017 2.7782 2.7782 3.3245 3.3245 3.5430 3.5430 4.2574 4.2574 4.9144 4.9144 5.2674 5.2674 7.6824 7.6824 8.4891 8.4891 11.2358 11.2358 k = 0.3889 0.4084 0.8074 ( 5470 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4972 -10.4972 -10.4090 -10.4090 -9.6147 -9.6147 -9.1834 -9.1834 -1.5114 -1.5114 -0.4363 -0.4363 -0.0261 -0.0261 0.0279 0.0279 0.3056 0.3056 0.6598 0.6598 1.8261 1.8261 2.3091 2.3091 2.4884 2.4884 2.7621 2.7621 3.3233 3.3233 3.5248 3.5248 4.2583 4.2583 4.9173 4.9173 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): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4960 -10.4960 -10.4104 -10.4104 -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 2.2500 2.2500 2.4739 2.4739 2.7448 2.7448 3.3216 3.3216 3.5048 3.5048 4.2593 4.2593 4.9205 4.9205 5.2728 5.2728 7.6813 7.6813 8.5227 8.5227 11.3355 11.3355 k = 0.3638 0.3820 0.8074 ( 5476 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4948 -10.4948 -10.4119 -10.4119 -9.6020 -9.6020 -9.2002 -9.2002 -1.4945 -1.4945 -0.4248 -0.4248 0.0200 0.0200 0.0565 0.0565 0.3384 0.3384 0.6594 0.6594 1.8077 1.8077 2.1893 2.1893 2.4582 2.4582 2.7262 2.7262 3.3195 3.3195 3.4833 3.4833 4.2603 4.2603 4.9240 4.9240 5.2774 5.2774 7.6806 7.6806 8.5361 8.5361 11.3933 11.3933 k = 0.3513 0.3689 0.8074 ( 5472 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4935 -10.4935 -10.4135 -10.4135 -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 2.4414 2.4414 2.7064 2.7064 3.3167 3.3167 3.4604 3.4604 4.2614 4.2614 4.9279 4.9279 5.2835 5.2835 7.6799 7.6799 8.5463 8.5463 11.4558 11.4558 k = 0.3387 0.3557 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4921 -10.4921 -10.4152 -10.4152 -9.5896 -9.5896 -9.2167 -9.2167 -1.4775 -1.4775 -0.4102 -0.4102 0.0573 0.0573 0.1011 0.1011 0.3751 0.3751 0.6589 0.6589 1.7856 1.7856 2.0681 2.0681 2.4237 2.4237 2.6853 2.6853 3.3131 3.3131 3.4365 3.4365 4.2624 4.2624 4.9321 4.9321 5.2911 5.2911 7.6791 7.6791 8.5528 8.5528 11.5224 11.5224 k = 0.3262 0.3425 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4906 -10.4906 -10.4170 -10.4170 -9.5841 -9.5841 -9.2240 -9.2240 -1.4692 -1.4692 -0.4018 -0.4018 0.0729 0.0729 0.1273 0.1273 0.3945 0.3945 0.6587 0.6587 1.7729 1.7729 2.0108 2.0108 2.4052 2.4052 2.6630 2.6630 3.3088 3.3088 3.4119 3.4119 4.2634 4.2634 4.9366 4.9366 5.3005 5.3005 7.6783 7.6783 8.5552 8.5552 11.5925 11.5925 k = 0.3136 0.3293 0.8074 ( 5482 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4891 -10.4891 -10.4188 -10.4188 -9.5795 -9.5795 -9.2304 -9.2304 -1.4611 -1.4611 -0.3925 -0.3925 0.0881 0.0881 0.1532 0.1532 0.4142 0.4142 0.6585 0.6585 1.7591 1.7591 1.9580 1.9580 2.3860 2.3860 2.6394 2.6394 3.3037 3.3037 3.3868 3.3868 4.2643 4.2643 4.9416 4.9416 5.3115 5.3115 7.6774 7.6774 8.5532 8.5532 11.6654 11.6654 k = 0.3011 0.3162 0.8074 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4876 -10.4876 -10.4207 -10.4207 -9.5760 -9.5760 -9.2355 -9.2355 -1.4534 -1.4534 -0.3823 -0.3823 0.1033 0.1033 0.1771 0.1771 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 4.2652 4.2652 4.9469 4.9469 5.3242 5.3242 7.6764 7.6764 8.5467 8.5467 11.7401 11.7401 k = 0.2885 0.3030 0.8074 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4859 -10.4859 -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 0.4540 0.4540 0.6583 0.6583 1.7268 1.7268 1.8733 1.8733 2.3459 2.3459 2.5885 2.5885 3.2903 3.2903 3.3370 3.3370 4.2660 4.2660 4.9528 4.9528 5.3386 5.3386 7.6754 7.6754 8.5355 8.5355 11.8157 11.8157 k = 0.2760 0.2898 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4843 -10.4843 -10.4246 -10.4246 -9.5731 -9.5731 -9.2408 -9.2408 -1.4392 -1.4392 -0.3595 -0.3595 0.1345 0.1345 0.2134 0.2134 0.4736 0.4736 0.6582 0.6582 1.7086 1.7086 1.8445 1.8445 2.3253 2.3253 2.5613 2.5613 3.2817 3.2817 3.3132 3.3132 4.2667 4.2667 4.9591 4.9591 5.3544 5.3544 7.6743 7.6743 8.5197 8.5197 11.8914 11.8914 k = 0.2635 0.2766 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4826 -10.4826 -10.4266 -10.4266 -9.5740 -9.5740 -9.2407 -9.2407 -1.4328 -1.4328 -0.3469 -0.3469 0.1506 0.1506 0.2233 0.2233 0.4928 0.4928 0.6581 0.6581 1.6900 1.6900 1.8257 1.8257 2.3045 2.3045 2.5330 2.5330 3.2709 3.2709 3.2917 3.2917 4.2674 4.2674 4.9659 4.9659 5.3716 5.3716 7.6731 7.6731 8.4993 8.4993 11.9659 11.9659 k = 0.2509 0.2635 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4809 -10.4809 -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 2.2836 2.2836 2.5038 2.5038 3.2557 3.2557 3.2746 3.2746 4.2679 4.2679 4.9732 4.9732 5.3898 5.3898 7.6719 7.6719 8.4745 8.4745 12.0379 12.0379 k = 0.2384 0.2503 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4792 -10.4792 -10.4307 -10.4307 -9.5809 -9.5809 -9.2347 -9.2347 -1.4215 -1.4215 -0.3196 -0.3196 0.1833 0.1833 0.2222 0.2222 0.5297 0.5297 0.6581 0.6581 1.6548 1.6548 1.8183 1.8183 2.2628 2.2628 2.4739 2.4739 3.2368 3.2368 3.2617 3.2617 4.2683 4.2683 4.9810 4.9810 5.4089 5.4089 7.6706 7.6706 8.4455 8.4455 12.1059 12.1059 k = 0.2258 0.2371 0.8074 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2838 -37.2838 -10.4775 -10.4775 -10.4327 -10.4327 -9.5865 -9.5865 -9.2290 -9.2290 -1.4165 -1.4165 -0.3050 -0.3050 0.1976 0.1976 0.2130 0.2130 0.5472 0.5472 0.6581 0.6581 1.6386 1.6386 1.8298 1.8298 2.2422 2.2422 2.4434 2.4434 3.2173 3.2173 3.2502 3.2502 4.2685 4.2685 4.9893 4.9893 5.4288 5.4288 7.6693 7.6693 8.4125 8.4125 12.1681 12.1681 k = 0.2133 0.2240 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4759 -10.4759 -10.4347 -10.4347 -9.5934 -9.5934 -9.2219 -9.2219 -1.4120 -1.4120 -0.2900 -0.2900 0.1886 0.1886 0.2203 0.2203 0.5640 0.5640 0.6582 0.6582 1.6227 1.6227 1.8514 1.8514 2.2218 2.2218 2.4125 2.4125 3.1985 3.1985 3.2389 3.2389 4.2687 4.2687 4.9979 4.9979 5.4492 5.4492 7.6679 7.6679 8.3758 8.3758 12.2222 12.2222 k = 0.2007 0.2108 0.8074 ( 5476 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4742 -10.4742 -10.4366 -10.4366 -9.6013 -9.6013 -9.2136 -9.2136 -1.4080 -1.4080 -0.2748 -0.2748 0.1648 0.1648 0.2367 0.2367 0.5801 0.5801 0.6584 0.6584 1.6068 1.6068 1.8825 1.8825 2.2019 2.2019 2.3816 2.3816 3.1809 3.1809 3.2276 3.2276 4.2688 4.2688 5.0070 5.0070 5.4698 5.4698 7.6664 7.6664 8.3358 8.3358 12.2662 12.2662 k = 0.1882 0.1976 0.8074 ( 5484 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -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 0.2538 0.2538 0.5953 0.5953 0.6585 0.6585 1.5907 1.5907 1.9219 1.9219 2.1826 2.1826 2.3509 2.3509 3.1646 3.1646 3.2162 3.2162 4.2687 4.2687 5.0163 5.0163 5.4904 5.4904 7.6648 7.6648 8.2929 8.2929 12.2982 12.2982 k = 0.1756 0.1844 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4711 -10.4711 -10.4403 -10.4403 -9.6188 -9.6188 -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 2.1639 2.1639 2.3209 2.3209 3.1498 3.1498 3.2048 3.2048 4.2685 4.2685 5.0257 5.0257 5.5109 5.5109 7.6631 7.6631 8.2477 8.2477 12.3171 12.3171 k = 0.1631 0.1713 0.8074 ( 5502 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4696 -10.4696 -10.4420 -10.4420 -9.6281 -9.6281 -9.1839 -9.1839 -1.3982 -1.3982 -0.2302 -0.2302 0.0695 0.0695 0.2877 0.2877 0.6225 0.6225 0.6589 0.6589 1.5578 1.5578 2.0188 2.0188 2.1460 2.1460 2.2922 2.2922 3.1365 3.1365 3.1936 3.1936 4.2681 4.2681 5.0352 5.0352 5.5310 5.5310 7.6613 7.6613 8.2008 8.2008 12.3230 12.3230 k = 0.1505 0.1581 0.8074 ( 5502 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4682 -10.4682 -10.4437 -10.4437 -9.6374 -9.6374 -9.1734 -9.1734 -1.3957 -1.3957 -0.2172 -0.2172 0.0359 0.0359 0.3042 0.3042 0.6344 0.6344 0.6591 0.6591 1.5413 1.5413 2.0721 2.0721 2.1291 2.1291 2.2656 2.2656 3.1245 3.1245 3.1826 3.1826 4.2677 4.2677 5.0446 5.0446 5.5506 5.5506 7.6592 7.6592 8.1527 8.1527 12.3175 12.3175 k = 0.1380 0.1449 0.8074 ( 5502 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4669 -10.4669 -10.4453 -10.4453 -9.6465 -9.6465 -9.1628 -9.1628 -1.3935 -1.3935 -0.2068 -0.2068 0.0045 0.0045 0.3202 0.3202 0.6451 0.6451 0.6594 0.6594 1.5249 1.5249 2.1112 2.1112 2.1258 2.1258 2.2442 2.2442 3.1139 3.1139 3.1720 3.1720 4.2672 4.2672 5.0538 5.0538 5.5693 5.5693 7.6569 7.6569 8.1044 8.1044 12.3029 12.3029 k = 0.1255 0.1317 0.8074 ( 5502 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4656 -10.4656 -10.4467 -10.4467 -9.6553 -9.6553 -9.1526 -9.1526 -1.3916 -1.3916 -0.2004 -0.2004 -0.0225 -0.0225 0.3355 0.3355 0.6545 0.6545 0.6597 0.6597 1.5088 1.5088 2.0973 2.0973 2.1611 2.1611 2.2405 2.2405 3.1046 3.1046 3.1619 3.1619 4.2666 4.2666 5.0627 5.0627 5.5871 5.5871 7.6543 7.6543 8.0565 8.0565 12.2819 12.2819 k = 0.1129 0.1186 0.8074 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4645 -10.4645 -10.4481 -10.4481 -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 0.6630 0.6630 1.4933 1.4933 2.0836 2.0836 2.1616 2.1616 2.2739 2.2739 3.0965 3.0965 3.1524 3.1524 4.2660 4.2660 5.0710 5.0710 5.6038 5.6038 7.6513 7.6513 8.0101 8.0101 12.2568 12.2568 k = 0.1004 0.1054 0.8074 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4634 -10.4634 -10.4493 -10.4493 -9.6713 -9.6713 -9.1336 -9.1336 -1.3885 -1.3885 -0.2072 -0.2072 -0.0532 -0.0532 0.3633 0.3633 0.6600 0.6600 0.6701 0.6701 1.4785 1.4785 2.0709 2.0709 2.1460 2.1460 2.3235 2.3235 3.0895 3.0895 3.1436 3.1436 4.2652 4.2652 5.0788 5.0788 5.6191 5.6191 7.6478 7.6478 7.9661 7.9661 12.2300 12.2300 k = 0.0878 0.0922 0.8074 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4624 -10.4624 -10.4504 -10.4504 -9.6784 -9.6784 -9.1251 -9.1251 -1.3873 -1.3873 -0.2205 -0.2205 -0.0561 -0.0561 0.3755 0.3755 0.6602 0.6602 0.6762 0.6762 1.4648 1.4648 2.0596 2.0596 2.1284 2.1284 2.3742 2.3742 3.0836 3.0836 3.1356 3.1356 4.2645 4.2645 5.0859 5.0859 5.6330 5.6330 7.6436 7.6436 7.9255 7.9255 12.2032 12.2032 k = 0.0753 0.0790 0.8074 ( 5498 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4616 -10.4616 -10.4514 -10.4514 -9.6847 -9.6847 -9.1176 -9.1176 -1.3863 -1.3863 -0.2371 -0.2371 -0.0536 -0.0536 0.3864 0.3864 0.6603 0.6603 0.6813 0.6813 1.4522 1.4522 2.0496 2.0496 2.1117 2.1117 2.4219 2.4219 3.0786 3.0786 3.1285 3.1285 4.2637 4.2637 5.0922 5.0922 5.6453 5.6453 7.6388 7.6388 7.8892 7.8892 12.1779 12.1779 k = 0.0627 0.0659 0.8074 ( 5506 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4609 -10.4609 -10.4522 -10.4522 -9.6901 -9.6901 -9.1110 -9.1110 -1.3855 -1.3855 -0.2543 -0.2543 -0.0485 -0.0485 0.3957 0.3957 0.6605 0.6605 0.6854 0.6854 1.4410 1.4410 2.0411 2.0411 2.0970 2.0970 2.4647 2.4647 3.0746 3.0746 3.1224 3.1224 4.2629 4.2629 5.0977 5.0977 5.6559 5.6559 7.6333 7.6333 7.8581 7.8581 12.1550 12.1550 k = 0.0502 0.0527 0.8074 ( 5500 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4603 -10.4603 -10.4529 -10.4529 -9.6946 -9.6946 -9.1054 -9.1054 -1.3848 -1.3848 -0.2700 -0.2700 -0.0427 -0.0427 0.4035 0.4035 0.6606 0.6606 0.6888 0.6888 1.4315 1.4315 2.0340 2.0340 2.0847 2.0847 2.5015 2.5015 3.0714 3.0714 3.1173 3.1173 4.2622 4.2622 5.1022 5.1022 5.6648 5.6648 7.6275 7.6275 7.8328 7.8328 12.1353 12.1353 k = 0.0376 0.0395 0.8074 ( 5496 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4598 -10.4598 -10.4535 -10.4535 -9.6981 -9.6981 -9.1011 -9.1011 -1.3843 -1.3843 -0.2830 -0.2830 -0.0372 -0.0372 0.4097 0.4097 0.6607 0.6607 0.6913 0.6913 1.4239 1.4239 2.0285 2.0285 2.0750 2.0750 2.5311 2.5311 3.0690 3.0690 3.1133 3.1133 4.2617 4.2617 5.1057 5.1057 5.6718 5.6718 7.6217 7.6217 7.8135 7.8135 12.1195 12.1195 k = 0.0251 0.0263 0.8074 ( 5500 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4595 -10.4595 -10.4539 -10.4539 -9.7007 -9.7007 -9.0979 -9.0979 -1.3840 -1.3840 -0.2927 -0.2927 -0.0329 -0.0329 0.4141 0.4141 0.6607 0.6607 0.6931 0.6931 1.4184 1.4184 2.0245 2.0245 2.0679 2.0679 2.5528 2.5528 3.0673 3.0673 3.1104 3.1104 4.2612 4.2612 5.1083 5.1083 5.6768 5.6768 7.6168 7.6168 7.8000 7.8000 12.1080 12.1080 k = 0.0125 0.0132 0.8074 ( 5496 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4593 -10.4593 -10.4541 -10.4541 -9.7023 -9.7023 -9.0960 -9.0960 -1.3838 -1.3838 -0.2987 -0.2987 -0.0301 -0.0301 0.4167 0.4167 0.6607 0.6607 0.6941 0.6941 1.4150 1.4150 2.0221 2.0221 2.0637 2.0637 2.5660 2.5660 3.0663 3.0663 3.1086 3.1086 4.2609 4.2609 5.1099 5.1099 5.6798 5.6798 7.6134 7.6134 7.7922 7.7922 12.1010 12.1010 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4592 -10.4592 -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 0.6945 0.6945 1.4138 1.4138 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0660 3.0660 3.1080 3.1080 4.2608 4.2608 5.1104 5.1104 5.6809 5.6809 7.6122 7.6122 7.7896 7.7896 12.0986 12.0986 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4592 -10.4592 -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 0.6945 0.6945 1.4138 1.4138 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0660 3.0660 3.1080 3.1080 4.2608 4.2608 5.1104 5.1104 5.6809 5.6809 7.6122 7.6122 7.7896 7.7896 12.0986 12.0986 k = 0.0000 0.0000 0.7895 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4596 -10.4596 -10.4550 -10.4550 -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 0.7070 0.7070 1.4064 1.4064 2.0294 2.0294 2.0640 2.0640 2.5688 2.5688 3.0680 3.0680 3.1082 3.1082 4.2630 4.2630 5.1102 5.1102 5.6804 5.6804 7.6111 7.6111 7.7888 7.7888 12.0970 12.0970 k = 0.0000 0.0000 0.7715 ( 5490 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.4624 -10.4624 -10.4560 -10.4560 -9.7009 -9.7009 -9.0964 -9.0964 -1.3745 -1.3745 -0.3029 -0.3029 -0.0251 -0.0251 0.3715 0.3715 0.6534 0.6534 0.7410 0.7410 1.3853 1.3853 2.0520 2.0520 2.0696 2.0696 2.5640 2.5640 3.0741 3.0741 3.1087 3.1087 4.2693 4.2693 5.1095 5.1095 5.6789 5.6789 7.6078 7.6078 7.7865 7.7865 12.0924 12.0924 k = 0.0000 0.0000 0.7536 ( 5504 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4429 -37.4429 -37.2837 -37.2837 -10.4692 -10.4692 -10.4553 -10.4553 -9.6985 -9.6985 -9.0977 -9.0977 -1.3632 -1.3632 -0.3056 -0.3056 -0.0200 -0.0200 0.3276 0.3276 0.6421 0.6421 0.7876 0.7876 1.3532 1.3532 2.0759 2.0759 2.0895 2.0895 2.5562 2.5562 3.0836 3.0836 3.1098 3.1098 4.2797 4.2797 5.1085 5.1085 5.6764 5.6764 7.6021 7.6021 7.7829 7.7829 12.0849 12.0849 k = 0.0000 0.0000 0.7356 ( 5500 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4428 -37.4428 -37.2836 -37.2836 -10.4792 -10.4792 -10.4539 -10.4539 -9.6954 -9.6954 -9.0995 -9.0995 -1.3473 -1.3473 -0.3096 -0.3096 -0.0129 -0.0129 0.2789 0.2789 0.6262 0.6262 0.8404 0.8404 1.3133 1.3133 2.0886 2.0886 2.1334 2.1334 2.5459 2.5459 3.0956 3.0956 3.1122 3.1122 4.2938 4.2938 5.1070 5.1070 5.6731 5.6731 7.5938 7.5938 7.7786 7.7786 12.0747 12.0747 k = 0.0000 0.0000 0.7177 ( 5506 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4426 -37.4426 -37.2835 -37.2835 -10.4919 -10.4919 -10.4518 -10.4518 -9.6915 -9.6915 -9.1019 -9.1019 -1.3270 -1.3270 -0.3148 -0.3148 -0.0039 -0.0039 0.2285 0.2285 0.6062 0.6062 0.8958 0.8958 1.2685 1.2685 2.1039 2.1039 2.1846 2.1846 2.5334 2.5334 3.1056 3.1056 3.1201 3.1201 4.3112 4.3112 5.1052 5.1052 5.6689 5.6689 7.5826 7.5826 7.7742 7.7742 12.0623 12.0623 k = 0.0000 0.0000 0.6998 ( 5510 PWs) bands (ev): -81.1250 -81.1250 -49.5250 -49.5250 -37.4425 -37.4425 -37.2833 -37.2833 -10.5071 -10.5071 -10.4493 -10.4493 -9.6871 -9.6871 -9.1047 -9.1047 -1.3024 -1.3024 -0.3215 -0.3215 0.0066 0.0066 0.1783 0.1783 0.5827 0.5827 0.9516 0.9516 1.2214 1.2214 2.1224 2.1224 2.2406 2.2406 2.5192 2.5192 3.1099 3.1099 3.1365 3.1365 4.3313 4.3313 5.1030 5.1030 5.6638 5.6638 7.5681 7.5681 7.7703 7.7703 12.0480 12.0480 k = 0.0000 0.0000 0.6818 ( 5502 PWs) bands (ev): -81.1250 -81.1250 -49.5249 -49.5249 -37.4422 -37.4422 -37.2832 -37.2832 -10.5245 -10.5245 -10.4464 -10.4464 -9.6822 -9.6822 -9.1081 -9.1081 -1.2736 -1.2736 -0.3297 -0.3297 0.0174 0.0174 0.1305 0.1305 0.5561 0.5561 1.0040 1.0040 1.1759 1.1759 2.1440 2.1440 2.2999 2.2999 2.5038 2.5038 3.1128 3.1128 3.1569 3.1569 4.3537 4.3537 5.1006 5.1006 5.6579 5.6579 7.5504 7.5504 7.7676 7.7676 12.0321 12.0321 k = 0.0000 0.0000 0.6639 ( 5498 PWs) bands (ev): -81.1250 -81.1250 -49.5248 -49.5248 -37.4420 -37.4420 -37.2830 -37.2830 -10.5440 -10.5440 -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 0.5270 0.5270 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 4.3777 4.3777 5.0979 5.0979 5.6513 5.6513 7.5295 7.5295 7.7664 7.7664 12.0150 12.0150 k = 0.0000 0.0000 0.6459 ( 5498 PWs) bands (ev): -81.1250 -81.1250 -49.5248 -49.5248 -37.4417 -37.4417 -37.2828 -37.2828 -10.5653 -10.5653 -10.4392 -10.4392 -9.6717 -9.6717 -9.1160 -9.1160 -1.2040 -1.2040 -0.3510 -0.3510 0.0037 0.0037 0.0795 0.0795 0.4961 0.4961 1.0274 1.0274 1.1623 1.1623 2.1965 2.1965 2.4229 2.4229 2.4726 2.4726 3.1198 3.1198 3.2036 3.2036 4.4026 4.4026 5.0949 5.0949 5.6440 5.6440 7.5055 7.5055 7.7671 7.7671 11.9969 11.9969 k = 0.0000 0.0000 0.6280 ( 5486 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4413 -37.4413 -37.2825 -37.2825 -10.5882 -10.5882 -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 3.2287 3.2287 4.4279 4.4279 5.0918 5.0918 5.6362 5.6362 7.4790 7.4790 7.7699 7.7699 11.9783 11.9783 k = 0.0000 0.0000 0.6100 ( 5488 PWs) bands (ev): -81.1250 -81.1250 -49.5246 -49.5246 -37.4410 -37.4410 -37.2823 -37.2823 -10.6126 -10.6126 -10.4304 -10.4304 -9.6610 -9.6610 -9.1257 -9.1257 -1.1201 -1.1201 -0.3790 -0.3790 -0.0792 -0.0792 0.1115 0.1115 0.4314 0.4314 0.9342 0.9342 1.2603 1.2603 2.2604 2.2604 2.4336 2.4336 2.5568 2.5568 3.1299 3.1299 3.2545 3.2545 4.4526 4.4526 5.0886 5.0886 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): -81.1250 -81.1250 -49.5245 -49.5245 -37.4406 -37.4406 -37.2820 -37.2820 -10.6382 -10.6382 -10.4255 -10.4255 -9.6558 -9.6558 -9.1311 -9.1311 -1.0737 -1.0737 -0.3953 -0.3953 -0.1223 -0.1223 0.1343 0.1343 0.3992 0.3992 0.8826 0.8826 1.3122 1.3122 2.2959 2.2959 2.4171 2.4171 2.6218 2.6218 3.1366 3.1366 3.2809 3.2809 4.4763 4.4763 5.0854 5.0854 5.6190 5.6190 7.4204 7.4204 7.7821 7.7821 11.9396 11.9396 k = 0.0000 0.0000 0.5742 ( 5480 PWs) bands (ev): -81.1250 -81.1250 -49.5244 -49.5244 -37.4402 -37.4402 -37.2817 -37.2817 -10.6648 -10.6648 -10.4203 -10.4203 -9.6508 -9.6508 -9.1368 -9.1368 -1.0250 -1.0250 -0.4128 -0.4128 -0.1640 -0.1640 0.1585 0.1585 0.3684 0.3684 0.8309 0.8309 1.3627 1.3627 2.3322 2.3322 2.4024 2.4024 2.6871 2.6871 3.1445 3.1445 3.3074 3.3074 4.4983 4.4983 5.0822 5.0822 5.6098 5.6098 7.3895 7.3895 7.7917 7.7917 11.9197 11.9197 k = 0.0000 0.0000 0.5562 ( 5464 PWs) bands (ev): -81.1250 -81.1250 -49.5243 -49.5243 -37.4398 -37.4398 -37.2813 -37.2813 -10.6922 -10.6922 -10.4148 -10.4148 -9.6460 -9.6460 -9.1428 -9.1428 -0.9749 -0.9749 -0.4310 -0.4310 -0.2039 -0.2039 0.1826 0.1826 0.3409 0.3409 0.7797 0.7797 1.4110 1.4110 2.3592 2.3592 2.3996 2.3996 2.7522 2.7522 3.1539 3.1539 3.3338 3.3338 4.5181 4.5181 5.0792 5.0792 5.6005 5.6005 7.3583 7.3583 7.8035 7.8035 11.8993 11.8993 k = 0.0000 0.0000 0.5383 ( 5460 PWs) bands (ev): -81.1250 -81.1250 -49.5242 -49.5242 -37.4394 -37.4394 -37.2810 -37.2810 -10.7203 -10.7203 -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 1.4565 1.4565 2.3553 2.3553 2.4305 2.4305 2.8169 2.8169 3.1647 3.1647 3.3600 3.3600 4.5351 4.5351 5.0763 5.0763 5.5909 5.5909 7.3273 7.3273 7.8176 7.8176 11.8782 11.8782 k = 0.0000 0.0000 0.5203 ( 5460 PWs) bands (ev): -81.1251 -81.1251 -49.5241 -49.5241 -37.4390 -37.4390 -37.2806 -37.2806 -10.7489 -10.7489 -10.4029 -10.4029 -9.6377 -9.6377 -9.1556 -9.1556 -0.8768 -0.8768 -0.4645 -0.4645 -0.2771 -0.2771 0.2122 0.2122 0.3144 0.3144 0.6805 0.6805 1.4989 1.4989 2.3412 2.3412 2.4741 2.4741 2.8810 2.8810 3.1771 3.1771 3.3857 3.3857 4.5490 4.5490 5.0737 5.0737 5.5813 5.5813 7.2972 7.2972 7.8340 7.8340 11.8561 11.8561 k = 0.0000 0.0000 0.5024 ( 5460 PWs) bands (ev): -81.1251 -81.1251 -49.5239 -49.5239 -37.4385 -37.4385 -37.2803 -37.2803 -10.7778 -10.7778 -10.3967 -10.3967 -9.6340 -9.6340 -9.1623 -9.1623 -0.8343 -0.8343 -0.4754 -0.4754 -0.3097 -0.3097 0.2061 0.2061 0.3273 0.3273 0.6332 0.6332 1.5378 1.5378 2.3259 2.3259 2.5216 2.5216 2.9443 2.9443 3.1911 3.1911 3.4106 3.4106 4.5593 4.5593 5.0714 5.0714 5.5717 5.5717 7.2685 7.2685 7.8525 7.8525 11.8324 11.8324 k = 0.0000 0.0000 0.4844 ( 5458 PWs) bands (ev): -81.1251 -81.1251 -49.5238 -49.5238 -37.4381 -37.4381 -37.2799 -37.2799 -10.8070 -10.8070 -10.3902 -10.3902 -9.6308 -9.6308 -9.1692 -9.1692 -0.8022 -0.8022 -0.4780 -0.4780 -0.3385 -0.3385 0.1915 0.1915 0.3522 0.3522 0.5880 0.5880 1.5731 1.5731 2.3106 2.3106 2.5714 2.5714 3.0066 3.0066 3.2066 3.2066 3.4347 3.4347 4.5658 4.5658 5.0695 5.0695 5.5622 5.5622 7.2418 7.2418 7.8730 7.8730 11.8064 11.8064 k = 0.0000 0.0000 0.4665 ( 5462 PWs) bands (ev): -81.1251 -81.1251 -49.5237 -49.5237 -37.4376 -37.4376 -37.2795 -37.2795 -10.8362 -10.8362 -10.3837 -10.3837 -9.6280 -9.6280 -9.1762 -9.1762 -0.7851 -0.7851 -0.4710 -0.4710 -0.3606 -0.3606 0.1756 0.1756 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 4.5683 4.5683 5.0680 5.0680 5.5529 5.5529 7.2176 7.2176 7.8954 7.8954 11.7774 11.7774 k = 0.0000 0.0000 0.4486 ( 5454 PWs) bands (ev): -81.1251 -81.1251 -49.5236 -49.5236 -37.4372 -37.4372 -37.2790 -37.2790 -10.8653 -10.8653 -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 1.6321 1.6321 2.2814 2.2814 2.6764 2.6764 3.1273 3.1273 3.2418 3.2418 3.4791 3.4791 4.5668 4.5668 5.0670 5.0670 5.5439 5.5439 7.1963 7.1963 7.9195 7.9195 11.7442 11.7442 k = 0.0000 0.0000 0.4306 ( 5462 PWs) bands (ev): -81.1252 -81.1252 -49.5234 -49.5234 -37.4367 -37.4367 -37.2786 -37.2786 -10.8942 -10.8942 -10.3702 -10.3702 -9.6237 -9.6237 -9.1905 -9.1905 -0.7975 -0.7975 -0.4672 -0.4672 -0.3471 -0.3471 0.1528 0.1528 0.4102 0.4102 0.5047 0.5047 1.6558 1.6558 2.2677 2.2677 2.7311 2.7311 3.1855 3.1855 3.2611 3.2611 3.4991 3.4991 4.5609 4.5609 5.0665 5.0665 5.5354 5.5354 7.1784 7.1784 7.9450 7.9450 11.7059 11.7059 k = 0.0000 0.0000 0.4127 ( 5456 PWs) bands (ev): -81.1252 -81.1252 -49.5233 -49.5233 -37.4362 -37.4362 -37.2782 -37.2782 -10.9229 -10.9229 -10.3633 -10.3633 -9.6221 -9.6221 -9.1977 -9.1977 -0.8197 -0.8197 -0.4836 -0.4836 -0.3086 -0.3086 0.1502 0.1502 0.3867 0.3867 0.5269 0.5269 1.6756 1.6756 2.2547 2.2547 2.7869 2.7869 3.2421 3.2421 3.2813 3.2813 3.5175 3.5175 4.5510 4.5510 5.0665 5.0665 5.5274 5.5274 7.1642 7.1642 7.9717 7.9717 11.6615 11.6615 k = 0.0000 0.0000 0.3947 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5232 -49.5232 -37.4358 -37.4358 -37.2777 -37.2777 -10.9510 -10.9510 -10.3565 -10.3565 -9.6209 -9.6209 -9.2049 -9.2049 -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 3.2968 3.2968 3.3020 3.3020 3.5340 3.5340 4.5368 4.5368 5.0670 5.0670 5.5201 5.5201 7.1542 7.1542 7.9993 7.9993 11.6104 11.6104 k = 0.0000 0.0000 0.3768 ( 5458 PWs) bands (ev): -81.1252 -81.1252 -49.5230 -49.5230 -37.4353 -37.4353 -37.2773 -37.2773 -10.9787 -10.9787 -10.3496 -10.3496 -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 3.5486 3.5486 4.5185 4.5185 5.0681 5.0681 5.5136 5.5136 7.1487 7.1487 8.0274 8.0274 11.5525 11.5525 k = 0.0000 0.0000 0.3588 ( 5446 PWs) bands (ev): -81.1252 -81.1252 -49.5229 -49.5229 -37.4349 -37.4349 -37.2768 -37.2768 -11.0057 -11.0057 -10.3428 -10.3428 -9.6195 -9.6195 -9.2192 -9.2192 -0.9124 -0.9124 -0.5435 -0.5435 -0.1958 -0.1958 0.2029 0.2029 0.2909 0.2909 0.6408 0.6408 1.7137 1.7137 2.2208 2.2208 2.9582 2.9582 3.3438 3.3438 3.4002 3.4002 3.5611 3.5611 4.4962 4.4962 5.0698 5.0698 5.5080 5.5080 7.1478 7.1478 8.0558 8.0558 11.4885 11.4885 k = 0.0000 0.0000 0.3409 ( 5436 PWs) bands (ev): -81.1252 -81.1252 -49.5228 -49.5228 -37.4344 -37.4344 -37.2764 -37.2764 -11.0320 -11.0320 -10.3361 -10.3361 -9.6192 -9.6192 -9.2261 -9.2261 -0.9467 -0.9467 -0.5621 -0.5621 -0.1753 -0.1753 0.2204 0.2204 0.2884 0.2884 0.6820 0.6820 1.7200 1.7200 2.2113 2.2113 3.0157 3.0157 3.3642 3.3642 3.4486 3.4486 3.5716 3.5716 4.4700 4.4700 5.0720 5.0720 5.5035 5.5035 7.1517 7.1517 8.0840 8.0840 11.4191 11.4191 k = 0.0000 0.0000 0.3230 ( 5452 PWs) bands (ev): -81.1253 -81.1253 -49.5227 -49.5227 -37.4340 -37.4340 -37.2759 -37.2759 -11.0574 -11.0574 -10.3295 -10.3295 -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 1.7236 1.7236 2.2027 2.2027 3.0729 3.0729 3.3839 3.3839 3.4944 3.4944 3.5802 3.5802 4.4399 4.4399 5.0748 5.0748 5.5001 5.5001 7.1605 7.1605 8.1119 8.1119 11.3460 11.3460 k = 0.0000 0.0000 0.3050 ( 5456 PWs) bands (ev): -81.1253 -81.1253 -49.5225 -49.5225 -37.4336 -37.4336 -37.2755 -37.2755 -11.0820 -11.0820 -10.3230 -10.3230 -9.6194 -9.6194 -9.2396 -9.2396 -1.0156 -1.0156 -0.5956 -0.5956 -0.1590 -0.1590 0.1739 0.1739 0.4033 0.4033 0.7648 0.7648 1.7248 1.7248 2.1951 2.1951 3.1293 3.1293 3.4026 3.4026 3.5372 3.5372 3.5874 3.5874 4.4063 4.4063 5.0782 5.0782 5.4979 5.4979 7.1741 7.1741 8.1391 8.1391 11.2704 11.2704 k = 0.0000 0.0000 0.2871 ( 5452 PWs) bands (ev): -81.1253 -81.1253 -49.5224 -49.5224 -37.4332 -37.4332 -37.2751 -37.2751 -11.1055 -11.1055 -10.3167 -10.3167 -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 1.7239 1.7239 2.1886 2.1886 3.1846 3.1846 3.4203 3.4203 3.5731 3.5731 3.5970 3.5970 4.3694 4.3694 5.0820 5.0820 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): -81.1253 -81.1253 -49.5223 -49.5223 -37.4329 -37.4329 -37.2746 -37.2746 -11.1281 -11.1281 -10.3106 -10.3106 -9.6205 -9.6205 -9.2522 -9.2522 -1.0819 -1.0819 -0.6236 -0.6236 -0.1609 -0.1609 0.1182 0.1182 0.5596 0.5596 0.8463 0.8463 1.7213 1.7213 2.1831 2.1831 3.2383 3.2383 3.4367 3.4367 3.5871 3.5871 3.6241 3.6241 4.3295 4.3295 5.0864 5.0864 5.4973 5.4973 7.2151 7.2151 8.1905 8.1905 11.1173 11.1173 k = 0.0000 0.0000 0.2512 ( 5440 PWs) bands (ev): -81.1253 -81.1253 -49.5222 -49.5222 -37.4325 -37.4325 -37.2742 -37.2742 -11.1494 -11.1494 -10.3048 -10.3048 -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 1.7173 1.7173 2.1787 2.1787 3.2898 3.2898 3.4519 3.4519 3.5898 3.5898 3.6584 3.6584 4.2869 4.2869 5.0912 5.0912 5.4987 5.4987 7.2420 7.2420 8.2142 8.2142 11.0422 11.0422 k = 0.0000 0.0000 0.2333 ( 5446 PWs) bands (ev): -81.1254 -81.1254 -49.5221 -49.5221 -37.4322 -37.4322 -37.2738 -37.2738 -11.1696 -11.1696 -10.2992 -10.2992 -9.6220 -9.6220 -9.2637 -9.2637 -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 4.2421 4.2421 5.0962 5.0962 5.5013 5.5013 7.2725 7.2725 8.2365 8.2365 10.9694 10.9694 k = 0.0000 0.0000 0.2153 ( 5450 PWs) bands (ev): -81.1254 -81.1254 -49.5220 -49.5220 -37.4319 -37.4319 -37.2735 -37.2735 -11.1885 -11.1885 -10.2940 -10.2940 -9.6229 -9.6229 -9.2691 -9.2691 -1.1718 -1.1718 -0.6561 -0.6561 -0.1754 -0.1754 0.0457 0.0457 0.8064 0.8064 0.9653 0.9653 1.7065 1.7065 2.1730 2.1730 3.3810 3.3810 3.4816 3.4816 3.5887 3.5887 3.7218 3.7218 4.1956 4.1956 5.1015 5.1015 5.5048 5.5048 7.3061 7.3061 8.2570 8.2570 10.8996 10.8996 k = 0.0000 0.0000 0.1974 ( 5450 PWs) bands (ev): -81.1254 -81.1254 -49.5219 -49.5219 -37.4316 -37.4316 -37.2731 -37.2731 -11.2061 -11.2061 -10.2890 -10.2890 -9.6239 -9.6239 -9.2740 -9.2740 -1.1984 -1.1984 -0.6646 -0.6646 -0.1810 -0.1810 0.0251 0.0251 0.8829 0.8829 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 4.1482 4.1482 5.1069 5.1069 5.5092 5.5092 7.3422 7.3422 8.2758 8.2758 10.8335 10.8335 k = 0.0000 0.0000 0.1794 ( 5446 PWs) bands (ev): -81.1254 -81.1254 -49.5218 -49.5218 -37.4313 -37.4313 -37.2728 -37.2728 -11.2224 -11.2224 -10.2844 -10.2844 -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 1.6942 1.6942 2.1711 2.1711 3.4395 3.4395 3.5237 3.5237 3.5850 3.5850 3.7746 3.7746 4.1008 4.1008 5.1123 5.1123 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): -81.1254 -81.1254 -49.5217 -49.5217 -37.4311 -37.4311 -37.2724 -37.2724 -11.2372 -11.2372 -10.2801 -10.2801 -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 1.1098 1.1098 1.6883 1.6883 2.1714 2.1714 3.4523 3.4523 3.5522 3.5522 3.5834 3.5834 3.7965 3.7965 4.0545 4.0545 5.1176 5.1176 5.5196 5.5196 7.4185 7.4185 8.3081 8.3081 10.7147 10.7147 k = 0.0000 0.0000 0.1435 ( 5442 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4308 -37.4308 -37.2721 -37.2721 -11.2506 -11.2506 -10.2763 -10.2763 -9.6267 -9.6267 -9.2867 -9.2867 -1.2662 -1.2662 -0.6840 -0.6840 -0.1971 -0.1971 -0.0259 -0.0259 1.0404 1.0404 1.1725 1.1725 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 5.5252 5.5252 7.4570 7.4570 8.3215 8.3215 10.6628 10.6628 k = 0.0000 0.0000 0.1256 ( 5440 PWs) bands (ev): -81.1254 -81.1254 -49.5216 -49.5216 -37.4306 -37.4306 -37.2719 -37.2719 -11.2625 -11.2625 -10.2728 -10.2728 -9.6275 -9.6275 -9.2902 -9.2902 -1.2845 -1.2845 -0.6887 -0.6887 -0.2019 -0.2019 -0.0392 -0.0392 1.0702 1.0702 1.2356 1.2356 1.6792 1.6792 2.1737 2.1737 3.4595 3.4595 3.5797 3.5797 3.6094 3.6094 3.8295 3.8295 3.9718 3.9718 5.1274 5.1274 5.5308 5.5308 7.4943 7.4943 8.3331 8.3331 10.6164 10.6164 k = 0.0000 0.0000 0.1077 ( 5440 PWs) bands (ev): -81.1254 -81.1254 -49.5215 -49.5215 -37.4305 -37.4305 -37.2717 -37.2717 -11.2729 -11.2729 -10.2698 -10.2698 -9.6283 -9.6283 -9.2932 -9.2932 -1.3005 -1.3005 -0.6925 -0.6925 -0.2061 -0.2061 -0.0507 -0.0507 1.0943 1.0943 1.2948 1.2948 1.6767 1.6767 2.1755 2.1755 3.4585 3.4585 3.5795 3.5795 3.6306 3.6306 3.8387 3.8387 3.9406 3.9406 5.1318 5.1318 5.5362 5.5362 7.5295 7.5295 8.3430 8.3430 10.5757 10.5757 k = 0.0000 0.0000 0.0897 ( 5433 PWs) bands (ev): -81.1254 -81.1254 -49.5215 -49.5215 -37.4303 -37.4303 -37.2715 -37.2715 -11.2818 -11.2818 -10.2672 -10.2672 -9.6290 -9.6290 -9.2957 -9.2957 -1.3141 -1.3141 -0.6957 -0.6957 -0.2098 -0.2098 -0.0603 -0.0603 1.1140 1.1140 1.3471 1.3471 1.6760 1.6760 2.1774 2.1774 3.4563 3.4563 3.5794 3.5794 3.6455 3.6455 3.8409 3.8409 3.9210 3.9210 5.1356 5.1356 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): -81.1254 -81.1254 -49.5214 -49.5214 -37.4302 -37.4302 -37.2713 -37.2713 -11.2890 -11.2890 -10.2651 -10.2651 -9.6296 -9.6296 -9.2978 -9.2978 -1.3253 -1.3253 -0.6982 -0.6982 -0.2130 -0.2130 -0.0682 -0.0682 1.1298 1.1298 1.3907 1.3907 1.6773 1.6773 2.1792 2.1792 3.4535 3.4535 3.5795 3.5795 3.6529 3.6529 3.8371 3.8371 3.9132 3.9132 5.1389 5.1389 5.5455 5.5455 7.5894 7.5894 8.3579 8.3579 10.5123 10.5123 k = 0.0000 0.0000 0.0538 ( 5419 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4301 -37.4301 -37.2712 -37.2712 -11.2947 -11.2947 -10.2634 -10.2634 -9.6301 -9.6301 -9.2995 -9.2995 -1.3341 -1.3341 -0.7001 -0.7001 -0.2155 -0.2155 -0.0742 -0.0742 1.1419 1.1419 1.4244 1.4244 1.6801 1.6801 2.1808 2.1808 3.4508 3.4508 3.5797 3.5797 3.6537 3.6537 3.8325 3.8325 3.9125 3.9125 5.1415 5.1415 5.5490 5.5490 7.6122 7.6122 8.3630 8.3630 10.4899 10.4899 k = 0.0000 0.0000 0.0359 ( 5421 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.2987 -11.2987 -10.2622 -10.2622 -9.6304 -9.6304 -9.3007 -9.3007 -1.3404 -1.3404 -0.7015 -0.7015 -0.2173 -0.2173 -0.0785 -0.0785 1.1505 1.1505 1.4479 1.4479 1.6837 1.6837 2.1821 2.1821 3.4486 3.4486 3.5800 3.5800 3.6506 3.6506 3.8299 3.8299 3.9141 3.9141 5.1434 5.1434 5.5517 5.5517 7.6291 7.6291 8.3666 8.3666 10.4738 10.4738 k = 0.0000 0.0000 0.0179 ( 5421 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3012 -11.3012 -10.2615 -10.2615 -9.6306 -9.6306 -9.3014 -9.3014 -1.3442 -1.3442 -0.7023 -0.7023 -0.2184 -0.2184 -0.0811 -0.0811 1.1556 1.1556 1.4615 1.4615 1.6868 1.6868 2.1829 2.1829 3.4471 3.4471 3.5802 3.5802 3.6471 3.6471 3.8290 3.8290 3.9156 3.9156 5.1446 5.1446 5.5533 5.5533 7.6394 7.6394 8.3687 8.3687 10.4642 10.4642 k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3020 -11.3020 -10.2612 -10.2612 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1574 1.1574 1.4660 1.4660 1.6879 1.6879 2.1831 2.1831 3.4466 3.4466 3.5803 3.5803 3.6456 3.6456 3.8289 3.8289 3.9162 3.9162 5.1450 5.1450 5.5538 5.5538 7.6430 7.6430 8.3694 8.3694 10.4610 10.4610 k = 0.0000 0.0000 0.0000 ( 5417 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3020 -11.3020 -10.2612 -10.2612 -9.6307 -9.6307 -9.3016 -9.3016 -1.3454 -1.3454 -0.7025 -0.7025 -0.2187 -0.2187 -0.0820 -0.0820 1.1574 1.1574 1.4660 1.4660 1.6879 1.6879 2.1831 2.1831 3.4466 3.4466 3.5803 3.5803 3.6456 3.6456 3.8289 3.8289 3.9162 3.9162 5.1450 5.1450 5.5538 5.5538 7.6430 7.6430 8.3694 8.3694 10.4610 10.4610 k =-0.0132 0.0125 0.0000 ( 5421 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3017 -11.3017 -10.2615 -10.2615 -9.6308 -9.6308 -9.3017 -9.3017 -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 3.4449 3.4449 3.5776 3.5776 3.6463 3.6463 3.8285 3.8285 3.9153 3.9153 5.1459 5.1459 5.5540 5.5540 7.6430 7.6430 8.3685 8.3685 10.4640 10.4640 k =-0.0263 0.0251 0.0000 ( 5425 PWs) bands (ev): -81.1254 -81.1254 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.3008 -11.3008 -10.2623 -10.2623 -9.6310 -9.6310 -9.3021 -9.3021 -1.3422 -1.3422 -0.7027 -0.7027 -0.2236 -0.2236 -0.0792 -0.0792 1.1583 1.1583 1.4690 1.4690 1.6948 1.6948 2.1829 2.1829 3.4396 3.4396 3.5697 3.5697 3.6482 3.6482 3.8271 3.8271 3.9125 3.9125 5.1486 5.1486 5.5547 5.5547 7.6432 7.6432 8.3657 8.3657 10.4730 10.4730 k =-0.0395 0.0376 0.0000 ( 5431 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2993 -11.2993 -10.2637 -10.2637 -9.6314 -9.6314 -9.3026 -9.3026 -1.3383 -1.3383 -0.7029 -0.7029 -0.2298 -0.2298 -0.0754 -0.0754 1.1595 1.1595 1.4725 1.4725 1.7033 1.7033 2.1826 2.1826 3.4307 3.4307 3.5574 3.5574 3.6508 3.6508 3.8249 3.8249 3.9078 3.9078 5.1530 5.1530 5.5559 5.5559 7.6436 7.6436 8.3609 8.3609 10.4878 10.4878 k =-0.0526 0.0501 0.0000 ( 5443 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2973 -11.2973 -10.2655 -10.2655 -9.6320 -9.6320 -9.3034 -9.3034 -1.3328 -1.3328 -0.7031 -0.7031 -0.2386 -0.2386 -0.0698 -0.0698 1.1611 1.1611 1.4773 1.4773 1.7153 1.7153 2.1822 2.1822 3.4181 3.4181 3.5412 3.5412 3.6537 3.6537 3.8219 3.8219 3.9014 3.9014 5.1591 5.1591 5.5576 5.5576 7.6440 7.6440 8.3542 8.3542 10.5084 10.5084 k =-0.0658 0.0627 0.0000 ( 5449 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2946 -11.2946 -10.2678 -10.2678 -9.6328 -9.6328 -9.3043 -9.3043 -1.3258 -1.3258 -0.7035 -0.7035 -0.2499 -0.2499 -0.0621 -0.0621 1.1631 1.1631 1.4829 1.4829 1.7306 1.7306 2.1816 2.1816 3.4017 3.4017 3.5220 3.5220 3.6567 3.6567 3.8180 3.8180 3.8932 3.8932 5.1667 5.1667 5.5598 5.5598 7.6446 7.6446 8.3456 8.3456 10.5345 10.5345 k =-0.0789 0.0752 0.0000 ( 5445 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2915 -11.2915 -10.2706 -10.2706 -9.6338 -9.6338 -9.3055 -9.3055 -1.3174 -1.3174 -0.7039 -0.7039 -0.2636 -0.2636 -0.0523 -0.0523 1.1655 1.1655 1.4893 1.4893 1.7491 1.7491 2.1810 2.1810 3.3810 3.3810 3.5005 3.5005 3.6595 3.6595 3.8135 3.8135 3.8833 3.8833 5.1758 5.1758 5.5626 5.5626 7.6453 7.6453 8.3350 8.3350 10.5658 10.5658 k =-0.0921 0.0877 0.0000 ( 5435 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2878 -11.2878 -10.2737 -10.2737 -9.6350 -9.6350 -9.3068 -9.3068 -1.3075 -1.3075 -0.7043 -0.7043 -0.2794 -0.2794 -0.0403 -0.0403 1.1683 1.1683 1.4962 1.4962 1.7707 1.7707 2.1803 2.1803 3.3558 3.3558 3.4773 3.4773 3.6621 3.6621 3.8082 3.8082 3.8719 3.8719 5.1861 5.1861 5.5660 5.5660 7.6460 7.6460 8.3223 8.3223 10.6019 10.6019 k =-0.1053 0.1002 0.0000 ( 5435 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2835 -11.2835 -10.2772 -10.2772 -9.6365 -9.6365 -9.3083 -9.3083 -1.2964 -1.2964 -0.7047 -0.7047 -0.2970 -0.2970 -0.0261 -0.0261 1.1714 1.1714 1.5035 1.5035 1.7950 1.7950 2.1795 2.1795 3.3257 3.3257 3.4534 3.4534 3.6643 3.6643 3.8022 3.8022 3.8592 3.8592 5.1975 5.1975 5.5700 5.5700 7.6466 7.6466 8.3076 8.3076 10.6423 10.6423 k =-0.1184 0.1128 0.0000 ( 5439 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2789 -11.2789 -10.2809 -10.2809 -9.6383 -9.6383 -9.3100 -9.3100 -1.2841 -1.2841 -0.7052 -0.7052 -0.3159 -0.3159 -0.0099 -0.0099 1.1748 1.1748 1.5110 1.5110 1.8219 1.8219 2.1786 2.1786 3.2908 3.2908 3.4291 3.4291 3.6661 3.6661 3.7956 3.7956 3.8453 3.8453 5.2098 5.2098 5.5747 5.5747 7.6472 7.6472 8.2909 8.2909 10.6866 10.6866 k =-0.1316 0.1253 0.0000 ( 5443 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2738 -11.2738 -10.2849 -10.2849 -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 1.5187 1.5187 1.8509 1.8509 2.1777 2.1777 3.2513 3.2513 3.4047 3.4047 3.6672 3.6672 3.7882 3.7882 3.8306 3.8306 5.2228 5.2228 5.5802 5.5802 7.6478 7.6478 8.2723 8.2723 10.7342 10.7342 k =-0.1447 0.1378 0.0000 ( 5439 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2682 -11.2682 -10.2890 -10.2890 -9.6428 -9.6428 -9.3139 -9.3139 -1.2563 -1.2563 -0.7062 -0.7062 -0.3564 -0.3564 0.0285 0.0285 1.1823 1.1823 1.5264 1.5264 1.8816 1.8816 2.1768 2.1768 3.2075 3.2075 3.3805 3.3805 3.6675 3.6675 3.7799 3.7799 3.8158 3.8158 5.2362 5.2362 5.5865 5.5865 7.6483 7.6483 8.2516 8.2516 10.7846 10.7846 k =-0.1579 0.1504 0.0000 ( 5447 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2624 -11.2624 -10.2933 -10.2933 -9.6456 -9.6456 -9.3160 -9.3160 -1.2411 -1.2411 -0.7067 -0.7067 -0.3771 -0.3771 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 3.6667 3.6667 3.7703 3.7703 3.8016 3.8016 5.2498 5.2498 5.5936 5.5936 7.6485 7.6485 8.2292 8.2292 10.8372 10.8372 k =-0.1711 0.1629 0.0000 ( 5451 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2562 -11.2562 -10.2975 -10.2975 -9.6488 -9.6488 -9.3183 -9.3183 -1.2253 -1.2253 -0.7071 -0.7071 -0.3975 -0.3975 0.0741 0.0741 1.1906 1.1906 1.5420 1.5420 1.9463 1.9463 2.1753 2.1753 3.1099 3.1099 3.3319 3.3319 3.6641 3.6641 3.7589 3.7589 3.7893 3.7893 5.2635 5.2635 5.6017 5.6017 7.6486 7.6486 8.2050 8.2050 10.8915 10.8915 k =-0.1842 0.1754 0.0000 ( 5465 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.2497 -11.2497 -10.3017 -10.3017 -9.6523 -9.6523 -9.3206 -9.3206 -1.2091 -1.2091 -0.7075 -0.7075 -0.4174 -0.4174 0.0993 0.0993 1.1948 1.1948 1.5498 1.5498 1.9794 1.9794 2.1749 2.1749 3.0572 3.0572 3.3075 3.3075 3.6592 3.6592 3.7461 3.7461 3.7794 3.7794 5.2769 5.2769 5.6107 5.6107 7.6484 7.6484 8.1792 8.1792 10.9468 10.9468 k =-0.1974 0.1880 0.0000 ( 5465 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.2430 -11.2430 -10.3058 -10.3058 -9.6563 -9.6563 -9.3230 -9.3230 -1.1928 -1.1928 -0.7077 -0.7077 -0.4363 -0.4363 0.1260 0.1260 1.1992 1.1992 1.5575 1.5575 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 5.2900 5.2900 5.6208 5.6208 7.6480 7.6480 8.1521 8.1521 11.0029 11.0029 k =-0.2105 0.2005 0.0000 ( 5459 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2361 -11.2361 -10.3097 -10.3097 -9.6606 -9.6606 -9.3255 -9.3255 -1.1764 -1.1764 -0.7079 -0.7079 -0.4538 -0.4538 0.1541 0.1541 1.2035 1.2035 1.5651 1.5651 2.0440 2.0440 2.1756 2.1756 2.9472 2.9472 3.2586 3.2586 3.6388 3.6388 3.7218 3.7218 3.7652 3.7652 5.3025 5.3025 5.6319 5.6319 7.6473 7.6473 8.1237 8.1237 11.0593 11.0593 k =-0.2237 0.2130 0.0000 ( 5455 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2291 -11.2291 -10.3135 -10.3135 -9.6654 -9.6654 -9.3281 -9.3281 -1.1605 -1.1605 -0.7080 -0.7080 -0.4697 -0.4697 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 5.3143 5.3143 5.6440 5.6440 7.6464 7.6464 8.0943 8.0943 11.1159 11.1159 k =-0.2368 0.2255 0.0000 ( 5457 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2220 -11.2220 -10.3169 -10.3169 -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 1.5798 1.5798 2.0990 2.0990 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 5.6570 5.6570 7.6450 7.6450 8.0641 8.0641 11.1725 11.1725 k =-0.2500 0.2381 0.0000 ( 5457 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2149 -11.2149 -10.3200 -10.3200 -9.6760 -9.6760 -9.3333 -9.3333 -1.1308 -1.1308 -0.7080 -0.7080 -0.4947 -0.4947 0.2449 0.2449 1.2160 1.2160 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 3.7535 3.7535 5.3355 5.3355 5.6709 5.6709 7.6432 7.6432 8.0334 8.0334 11.2292 11.2292 k =-0.2632 0.2506 0.0000 ( 5457 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2079 -11.2079 -10.3228 -10.3228 -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 3.7515 3.7515 5.3448 5.3448 5.6855 5.6855 7.6411 7.6411 8.0024 8.0024 11.2858 11.2858 k =-0.2763 0.2631 0.0000 ( 5459 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.2009 -11.2009 -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 1.6001 1.6001 2.1366 2.1366 2.2180 2.2180 2.6815 2.6815 3.1386 3.1386 3.5327 3.5327 3.6848 3.6848 3.7502 3.7502 5.3531 5.3531 5.7007 5.7007 7.6386 7.6386 7.9715 7.9715 11.3424 11.3424 k =-0.2895 0.2757 0.0000 ( 5460 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1941 -11.1941 -10.3271 -10.3271 -9.6944 -9.6944 -9.3410 -9.3410 -1.0961 -1.0961 -0.7081 -0.7081 -0.5112 -0.5112 0.3426 0.3426 1.2262 1.2262 1.6063 1.6063 2.1395 2.1395 2.2291 2.2291 2.6395 2.6395 3.1157 3.1157 3.5076 3.5076 3.6790 3.6790 3.7494 3.7494 5.3606 5.3606 5.7164 5.7164 7.6356 7.6356 7.9409 7.9409 11.3990 11.3990 k =-0.3026 0.2882 0.0000 ( 5468 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1875 -11.1875 -10.3287 -10.3287 -9.7010 -9.7010 -9.3435 -9.3435 -1.0879 -1.0879 -0.7084 -0.7084 -0.5102 -0.5102 0.3758 0.3758 1.2288 1.2288 1.6120 1.6120 2.1407 2.1407 2.2335 2.2335 2.6060 2.6060 3.0934 3.0934 3.4824 3.4824 3.6734 3.6734 3.7489 3.7489 5.3673 5.3673 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1811 -11.1811 -10.3298 -10.3298 -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 2.2283 2.2283 2.5829 2.5829 3.0719 3.0719 3.4572 3.4572 3.6681 3.6681 3.7487 3.7487 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1749 -11.1749 -10.3305 -10.3305 -9.7147 -9.7147 -9.3482 -9.3482 -1.0770 -1.0770 -0.7095 -0.7095 -0.4991 -0.4991 0.4422 0.4422 1.2325 1.2325 1.6224 1.6224 2.1403 2.1403 2.2128 2.2128 2.5711 2.5711 3.0512 3.0512 3.4326 3.4326 3.6631 3.6631 3.7487 3.7487 5.3784 5.3784 5.7639 5.7639 7.6239 7.6239 7.8539 7.8539 11.5680 11.5680 k =-0.3421 0.3258 0.0000 ( 5484 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1692 -11.1692 -10.3308 -10.3308 -9.7216 -9.7216 -9.3505 -9.3505 -1.0740 -1.0740 -0.7102 -0.7102 -0.4894 -0.4894 0.4748 0.4748 1.2334 1.2334 1.6269 1.6269 2.1392 2.1392 2.1886 2.1886 2.5693 2.5693 3.0315 3.0315 3.4085 3.4085 3.6585 3.6585 3.7488 3.7488 5.3829 5.3829 5.7794 5.7794 7.6189 7.6189 7.8276 7.8276 11.6234 11.6234 k =-0.3553 0.3383 0.0000 ( 5478 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1637 -11.1637 -10.3308 -10.3308 -9.7285 -9.7285 -9.3526 -9.3526 -1.0724 -1.0724 -0.7111 -0.7111 -0.4777 -0.4777 0.5068 0.5068 1.2338 1.2338 1.6309 1.6309 2.1361 2.1361 2.1600 2.1600 2.5746 2.5746 3.0130 3.0130 3.3854 3.3854 3.6542 3.6542 3.7490 3.7490 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1587 -11.1587 -10.3304 -10.3304 -9.7352 -9.7352 -9.3545 -9.3545 -1.0720 -1.0720 -0.7120 -0.7120 -0.4645 -0.4645 0.5378 0.5378 1.2335 1.2335 1.6344 1.6344 2.1175 2.1175 2.1434 2.1434 2.5844 2.5844 2.9956 2.9956 3.3635 3.3635 3.6504 3.6504 3.7491 3.7491 5.3903 5.3903 5.8086 5.8086 7.6074 7.6074 7.7809 7.7809 11.7306 11.7306 k =-0.3816 0.3634 0.0000 ( 5470 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1540 -11.1540 -10.3298 -10.3298 -9.7417 -9.7417 -9.3564 -9.3564 -1.0725 -1.0725 -0.7128 -0.7128 -0.4502 -0.4502 0.5676 0.5676 1.2327 1.2327 1.6375 1.6375 2.0842 2.0842 2.1404 2.1404 2.5965 2.5965 2.9795 2.9795 3.3428 3.3428 3.6469 3.6469 3.7493 3.7493 5.3932 5.3932 5.8221 5.8221 7.6008 7.6008 7.7610 7.7610 11.7814 11.7814 k =-0.3947 0.3759 0.0000 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1498 -11.1498 -10.3289 -10.3289 -9.7478 -9.7478 -9.3580 -9.3580 -1.0736 -1.0736 -0.7137 -0.7137 -0.4356 -0.4356 0.5957 0.5957 1.2312 1.2312 1.6400 1.6400 2.0500 2.0500 2.1391 2.1391 2.6095 2.6095 2.9649 2.9649 3.3237 3.3237 3.6438 3.6438 3.7495 3.7495 5.3957 5.3957 5.8345 5.8345 7.5937 7.5937 7.7437 7.7437 11.8297 11.8297 k =-0.4079 0.3884 0.0000 ( 5448 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1461 -11.1461 -10.3280 -10.3280 -9.7535 -9.7535 -9.3595 -9.3595 -1.0751 -1.0751 -0.7144 -0.7144 -0.4212 -0.4212 0.6219 0.6219 1.2294 1.2294 1.6419 1.6419 2.0175 2.0175 2.1382 2.1382 2.6223 2.6223 2.9518 2.9518 3.3064 3.3064 3.6411 3.6411 3.7496 3.7496 5.3978 5.3978 5.8458 5.8458 7.5863 7.5863 7.7289 7.7289 11.8747 11.8747 k =-0.4211 0.4010 0.0000 ( 5446 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1428 -11.1428 -10.3269 -10.3269 -9.7587 -9.7587 -9.3608 -9.3608 -1.0768 -1.0768 -0.7151 -0.7151 -0.4074 -0.4074 0.6458 0.6458 1.2271 1.2271 1.6434 1.6434 1.9878 1.9878 2.1375 2.1375 2.6343 2.6343 2.9403 2.9403 3.2910 3.2910 3.6388 3.6388 3.7497 3.7497 5.3996 5.3996 5.8559 5.8559 7.5789 7.5789 7.7167 7.7167 11.9158 11.9158 k =-0.4342 0.4135 0.0000 ( 5454 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2710 -37.2710 -11.1401 -11.1401 -10.3259 -10.3259 -9.7633 -9.7633 -9.3620 -9.3620 -1.0786 -1.0786 -0.7157 -0.7157 -0.3949 -0.3949 0.6669 0.6669 1.2247 1.2247 1.6445 1.6445 1.9617 1.9617 2.1369 2.1369 2.6450 2.6450 2.9304 2.9304 3.2776 3.2776 3.6369 3.6369 3.7498 3.7498 5.4010 5.4010 5.8645 5.8645 7.5717 7.5717 7.7069 7.7069 11.9522 11.9522 k =-0.4474 0.4260 0.0000 ( 5458 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1378 -11.1378 -10.3249 -10.3249 -9.7672 -9.7672 -9.3629 -9.3629 -1.0802 -1.0802 -0.7162 -0.7162 -0.3840 -0.3840 0.6849 0.6849 1.2223 1.2223 1.6451 1.6451 1.9397 1.9397 2.1364 2.1364 2.6541 2.6541 2.9223 2.9223 3.2665 3.2665 3.6353 3.6353 3.7499 3.7499 5.4021 5.4021 5.8718 5.8718 7.5653 7.5653 7.6992 7.6992 11.9832 11.9832 k =-0.4605 0.4386 0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1360 -11.1360 -10.3241 -10.3241 -9.7703 -9.7703 -9.3636 -9.3636 -1.0816 -1.0816 -0.7165 -0.7165 -0.3751 -0.3751 0.6994 0.6994 1.2201 1.2201 1.6454 1.6454 1.9223 1.9223 2.1360 2.1360 2.6613 2.6613 2.9160 2.9160 3.2577 3.2577 3.6342 3.6342 3.7499 3.7499 5.4030 5.4030 5.8774 5.8774 7.5598 7.5598 7.6935 7.6935 12.0082 12.0082 k =-0.4737 0.4511 0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1347 -11.1347 -10.3235 -10.3235 -9.7726 -9.7726 -9.3642 -9.3642 -1.0827 -1.0827 -0.7168 -0.7168 -0.3685 -0.3685 0.7101 0.7101 1.2184 1.2184 1.6456 1.6456 1.9097 1.9097 2.1358 2.1358 2.6665 2.6665 2.9114 2.9114 3.2513 3.2513 3.6333 3.6333 3.7499 3.7499 5.4036 5.4036 5.8816 5.8816 7.5557 7.5557 7.6896 7.6896 12.0265 12.0265 k =-0.4868 0.4636 0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1340 -11.1340 -10.3231 -10.3231 -9.7740 -9.7740 -9.3645 -9.3645 -1.0833 -1.0833 -0.7170 -0.7170 -0.3644 -0.3644 0.7166 0.7166 1.2172 1.2172 1.6456 1.6456 1.9021 1.9021 2.1356 2.1356 2.6697 2.6697 2.9087 2.9087 3.2475 3.2475 3.6328 3.6328 3.7499 3.7499 5.4039 5.4039 5.8840 5.8840 7.5532 7.5532 7.6873 7.6873 12.0376 12.0376 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1337 -11.1337 -10.3230 -10.3230 -9.7744 -9.7744 -9.3646 -9.3646 -1.0835 -1.0835 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6456 1.6456 1.8996 1.8996 2.1355 2.1355 2.6708 2.6708 2.9078 2.9078 3.2462 3.2462 3.6326 3.6326 3.7499 3.7499 5.4040 5.4040 5.8849 5.8849 7.5523 7.5523 7.6865 7.6865 12.0414 12.0414 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1337 -11.1337 -10.3230 -10.3230 -9.7744 -9.7744 -9.3646 -9.3646 -1.0835 -1.0835 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6456 1.6456 1.8996 1.8996 2.1355 2.1355 2.6708 2.6708 2.9078 2.9078 3.2462 3.2462 3.6326 3.6326 3.7499 3.7499 5.4040 5.4040 5.8849 5.8849 7.5523 7.5523 7.6865 7.6865 12.0414 12.0414 k =-0.4884 0.4884-0.0000 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1339 -11.1339 -10.3229 -10.3229 -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 1.6455 1.6455 1.9016 1.9016 2.1356 2.1356 2.6693 2.6693 2.9048 2.9048 3.2480 3.2480 3.6333 3.6333 3.7499 3.7499 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): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -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 1.6452 1.6452 1.9077 1.9077 2.1357 2.1357 2.6649 2.6649 2.8962 2.8962 3.2533 3.2533 3.6354 3.6354 3.7499 3.7499 5.4025 5.4025 5.8820 5.8820 7.5602 7.5602 7.6940 7.6940 12.0475 12.0475 k =-0.4767 0.5006-0.0000 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -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 1.6452 1.6452 1.9077 1.9077 2.1357 2.1357 2.6649 2.6649 2.8962 2.8962 3.2533 3.2533 3.6354 3.6354 3.7499 3.7499 5.4025 5.4025 5.8820 5.8820 7.5602 7.5602 7.6940 7.6940 12.0475 12.0475 k =-0.4767 0.5006 0.0179 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1338 -11.1338 -10.3229 -10.3229 -9.7723 -9.7723 -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 2.6638 2.6638 2.8978 2.8978 3.2531 3.2531 3.6273 3.6273 3.7614 3.7614 5.4013 5.4013 5.8810 5.8810 7.5597 7.5597 7.6933 7.6933 12.0484 12.0484 k =-0.4767 0.5006 0.0359 ( 5468 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1315 -11.1315 -10.3235 -10.3235 -9.7718 -9.7718 -9.3648 -9.3648 -1.0781 -1.0781 -0.7172 -0.7172 -0.3579 -0.3579 0.7133 0.7133 1.2000 1.2000 1.6203 1.6203 1.9125 1.9125 2.1434 2.1434 2.6604 2.6604 2.9027 2.9027 3.2525 3.2525 3.6087 3.6087 3.7902 3.7902 5.3977 5.3977 5.8782 5.8782 7.5578 7.5578 7.6913 7.6913 12.0513 12.0513 k =-0.4767 0.5006 0.0538 ( 5468 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4302 -37.4302 -37.2712 -37.2712 -11.1276 -11.1276 -10.3246 -10.3246 -9.7708 -9.7708 -9.3636 -9.3636 -1.0725 -1.0725 -0.7177 -0.7177 -0.3577 -0.3577 0.7170 0.7170 1.1816 1.1816 1.5896 1.5896 1.9188 1.9188 2.1524 2.1524 2.6550 2.6550 2.9109 2.9109 3.2516 3.2516 3.5859 3.5859 3.8291 3.8291 5.3918 5.3918 5.8735 5.8735 7.5540 7.5540 7.6890 7.6890 12.0559 12.0559 k =-0.4767 0.5006 0.0718 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5215 -49.5215 -37.4303 -37.4303 -37.2713 -37.2713 -11.1223 -11.1223 -10.3261 -10.3261 -9.7695 -9.7695 -9.3618 -9.3618 -1.0647 -1.0647 -0.7183 -0.7183 -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 3.8747 3.8747 5.3835 5.3835 5.8670 5.8670 7.5476 7.5476 7.6873 7.6873 12.0621 12.0621 k =-0.4767 0.5006 0.0897 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5215 -49.5215 -37.4304 -37.4304 -37.2715 -37.2715 -11.1154 -11.1154 -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 2.6386 2.6386 2.9368 2.9368 3.2484 3.2484 3.5353 3.5353 3.9253 3.9253 5.3730 5.3730 5.8587 5.8587 7.5376 7.5376 7.6876 7.6876 12.0695 12.0695 k =-0.4767 0.5006 0.1077 ( 5462 PWs) bands (ev): -81.1255 -81.1255 -49.5215 -49.5215 -37.4305 -37.4305 -37.2717 -37.2717 -11.1071 -11.1071 -10.3303 -10.3303 -9.7659 -9.7659 -9.3568 -9.3568 -1.0426 -1.0426 -0.7194 -0.7194 -0.3569 -0.3569 0.7359 0.7359 1.0907 1.0907 1.4348 1.4348 1.9556 1.9556 2.1936 2.1936 2.6279 2.6279 2.9544 2.9544 3.2461 3.2461 3.5080 3.5080 3.9797 3.9797 5.3604 5.3604 5.8488 5.8488 7.5237 7.5237 7.6906 7.6906 12.0779 12.0779 k =-0.4767 0.5006 0.1256 ( 5466 PWs) bands (ev): -81.1254 -81.1254 -49.5216 -49.5216 -37.4307 -37.4307 -37.2719 -37.2719 -11.0974 -11.0974 -10.3330 -10.3330 -9.7635 -9.7635 -9.3536 -9.3536 -1.0285 -1.0285 -0.7198 -0.7198 -0.3569 -0.3569 0.7443 0.7443 1.0513 1.0513 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 4.0365 4.0365 5.3458 5.3458 5.8372 5.8372 7.5061 7.5061 7.6967 7.6967 12.0867 12.0867 k =-0.4767 0.5006 0.1435 ( 5460 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4309 -37.4309 -37.2722 -37.2722 -11.0862 -11.0862 -10.3361 -10.3361 -9.7609 -9.7609 -9.3499 -9.3499 -1.0125 -1.0125 -0.7198 -0.7198 -0.3571 -0.3571 0.7531 0.7531 1.0090 1.0090 1.2930 1.2930 1.9921 1.9921 2.2272 2.2272 2.6029 2.6029 2.9979 2.9979 3.2401 3.2401 3.4486 3.4486 4.0950 4.0950 5.3294 5.3294 5.8240 5.8240 7.4854 7.4854 7.7059 7.7059 12.0953 12.0953 k =-0.4767 0.5006 0.1615 ( 5464 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4311 -37.4311 -37.2725 -37.2725 -11.0736 -11.0736 -10.3395 -10.3395 -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 3.0232 3.0232 3.2362 3.2362 3.4166 3.4166 4.1539 4.1539 5.3113 5.3113 5.8095 5.8095 7.4625 7.4625 7.7179 7.7179 12.1031 12.1031 k =-0.4767 0.5006 0.1794 ( 5470 PWs) bands (ev): -81.1254 -81.1254 -49.5218 -49.5218 -37.4313 -37.4313 -37.2728 -37.2728 -11.0597 -11.0597 -10.3433 -10.3433 -9.7546 -9.7546 -9.3413 -9.3413 -0.9748 -0.9748 -0.7181 -0.7181 -0.3587 -0.3587 0.7665 0.7665 0.9221 0.9221 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 4.2125 4.2125 5.2917 5.2917 5.7936 5.7936 7.4382 7.4382 7.7322 7.7322 12.1094 12.1094 k =-0.4767 0.5006 0.1974 ( 5479 PWs) bands (ev): -81.1254 -81.1254 -49.5219 -49.5219 -37.4316 -37.4316 -37.2731 -37.2731 -11.0445 -11.0445 -10.3474 -10.3474 -9.7511 -9.7511 -9.3363 -9.3363 -0.9535 -0.9535 -0.7161 -0.7161 -0.3606 -0.3606 0.7631 0.7631 0.8846 0.8846 1.0550 1.0550 2.0523 2.0523 2.2793 2.2793 2.5624 2.5624 3.0789 3.0789 3.2271 3.2271 3.3482 3.3482 4.2699 4.2699 5.2708 5.2708 5.7764 5.7764 7.4136 7.4136 7.7487 7.7487 12.1132 12.1132 k =-0.4767 0.5006 0.2153 ( 5475 PWs) bands (ev): -81.1254 -81.1254 -49.5220 -49.5220 -37.4319 -37.4319 -37.2735 -37.2735 -11.0281 -11.0281 -10.3518 -10.3518 -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 2.0696 2.0696 2.2963 2.2963 2.5513 2.5513 3.1082 3.1082 3.2219 3.2219 3.3126 3.3126 4.3253 4.3253 5.2488 5.2488 5.7583 5.7583 7.3892 7.3892 7.7670 7.7670 12.1137 12.1137 k =-0.4767 0.5006 0.2333 ( 5471 PWs) bands (ev): -81.1254 -81.1254 -49.5221 -49.5221 -37.4322 -37.4322 -37.2739 -37.2739 -11.0105 -11.0105 -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 2.0832 2.0832 2.3127 2.3127 2.5434 2.5434 3.1367 3.1367 3.2167 3.2167 3.2769 3.2769 4.3782 4.3782 5.2260 5.2260 5.7392 5.7392 7.3659 7.3659 7.7869 7.7869 12.1099 12.1099 k =-0.4767 0.5006 0.2512 ( 5464 PWs) bands (ev): -81.1254 -81.1254 -49.5222 -49.5222 -37.4325 -37.4325 -37.2742 -37.2742 -10.9918 -10.9918 -10.3616 -10.3616 -9.7390 -9.7390 -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 3.2124 3.2124 3.2446 3.2446 4.4279 4.4279 5.2027 5.2027 5.7193 5.7193 7.3441 7.3441 7.8082 7.8082 12.1010 12.1010 k =-0.4767 0.5006 0.2691 ( 5472 PWs) bands (ev): -81.1253 -81.1253 -49.5223 -49.5223 -37.4329 -37.4329 -37.2747 -37.2747 -10.9721 -10.9721 -10.3668 -10.3668 -9.7347 -9.7347 -9.3128 -9.3128 -0.8563 -0.8563 -0.6949 -0.6949 -0.3822 -0.3822 0.5934 0.5934 0.6981 0.6981 0.9293 0.9293 2.0926 2.0926 2.3417 2.3417 2.5447 2.5447 3.1661 3.1661 3.2001 3.2001 3.2369 3.2369 4.4739 4.4739 5.1790 5.1790 5.6987 5.6987 7.3243 7.3243 7.8307 7.8307 12.0861 12.0861 k =-0.4767 0.5006 0.2871 ( 5467 PWs) bands (ev): -81.1253 -81.1253 -49.5224 -49.5224 -37.4333 -37.4333 -37.2751 -37.2751 -10.9513 -10.9513 -10.3722 -10.3722 -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 0.9471 0.9471 2.0858 2.0858 2.3539 2.3539 2.5563 2.5563 3.1444 3.1444 3.1852 3.1852 3.2583 3.2583 4.5157 4.5157 5.1554 5.1554 5.6775 5.6775 7.3070 7.3070 7.8543 7.8543 12.0649 12.0649 k =-0.4767 0.5006 0.3050 ( 5468 PWs) bands (ev): -81.1253 -81.1253 -49.5225 -49.5225 -37.4337 -37.4337 -37.2755 -37.2755 -10.9297 -10.9297 -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 2.0707 2.0707 2.3651 2.3651 2.5753 2.5753 3.1102 3.1102 3.1744 3.1744 3.2873 3.2873 4.5530 4.5530 5.1321 5.1321 5.6560 5.6560 7.2925 7.2925 7.8788 7.8788 12.0370 12.0370 k =-0.4767 0.5006 0.3230 ( 5468 PWs) bands (ev): -81.1253 -81.1253 -49.5227 -49.5227 -37.4341 -37.4341 -37.2759 -37.2759 -10.9073 -10.9073 -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 0.5009 0.5009 0.9936 0.9936 2.0475 2.0475 2.3758 2.3758 2.6005 2.6005 3.0737 3.0737 3.1631 3.1631 3.3179 3.3179 4.5853 4.5853 5.1094 5.1094 5.6343 5.6343 7.2811 7.2811 7.9040 7.9040 12.0025 12.0025 k =-0.4767 0.5006 0.3409 ( 5475 PWs) bands (ev): -81.1253 -81.1253 -49.5228 -49.5228 -37.4345 -37.4345 -37.2764 -37.2764 -10.8842 -10.8842 -10.3896 -10.3896 -9.7159 -9.7159 -9.2848 -9.2848 -0.7556 -0.7556 -0.6386 -0.6386 -0.4533 -0.4533 0.3461 0.3461 0.4425 0.4425 1.0202 1.0202 2.0171 2.0171 2.3863 2.3863 2.6305 2.6305 3.0373 3.0373 3.1508 3.1508 3.3486 3.3486 4.6124 4.6124 5.0877 5.0877 5.6124 5.6124 7.2729 7.2729 7.9298 7.9298 11.9617 11.9617 k =-0.4767 0.5006 0.3588 ( 5481 PWs) bands (ev): -81.1253 -81.1253 -49.5229 -49.5229 -37.4349 -37.4349 -37.2769 -37.2769 -10.8604 -10.8604 -10.3956 -10.3956 -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 1.0485 1.0485 1.9804 1.9804 2.3970 2.3970 2.6637 2.6637 3.0020 3.0020 3.1372 3.1372 3.3786 3.3786 4.6341 4.6341 5.0672 5.0672 5.5905 5.5905 7.2682 7.2682 7.9560 7.9560 11.9155 11.9155 k =-0.4767 0.5006 0.3768 ( 5483 PWs) bands (ev): -81.1252 -81.1252 -49.5230 -49.5230 -37.4354 -37.4354 -37.2773 -37.2773 -10.8361 -10.8361 -10.4017 -10.4017 -9.7062 -9.7062 -9.2697 -9.2697 -0.7105 -0.7105 -0.5936 -0.5936 -0.5212 -0.5212 0.2420 0.2420 0.3356 0.3356 1.0784 1.0784 1.9386 1.9386 2.4079 2.4079 2.6987 2.6987 2.9685 2.9685 3.1224 3.1224 3.4076 3.4076 4.6503 4.6503 5.0483 5.0483 5.5687 5.5687 7.2669 7.2669 7.9825 7.9825 11.8646 11.8646 k =-0.4767 0.5006 0.3947 ( 5483 PWs) bands (ev): -81.1252 -81.1252 -49.5232 -49.5232 -37.4358 -37.4358 -37.2778 -37.2778 -10.8114 -10.8114 -10.4079 -10.4079 -9.7014 -9.7014 -9.2620 -9.2620 -0.6893 -0.6893 -0.5750 -0.5750 -0.5567 -0.5567 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 3.1064 3.1064 3.4352 3.4352 4.6609 4.6609 5.0310 5.0310 5.5471 5.5471 7.2692 7.2692 8.0091 8.0091 11.8104 11.8104 k =-0.4767 0.5006 0.4127 ( 5479 PWs) bands (ev): -81.1252 -81.1252 -49.5233 -49.5233 -37.4363 -37.4363 -37.2782 -37.2782 -10.7864 -10.7864 -10.4140 -10.4140 -9.6967 -9.6967 -9.2543 -9.2543 -0.6709 -0.6709 -0.6131 -0.6131 -0.5372 -0.5372 0.1584 0.1584 0.2458 0.2458 1.1418 1.1418 1.8424 1.8424 2.4299 2.4299 2.7681 2.7681 2.9114 2.9114 3.0891 3.0891 3.4612 3.4612 4.6662 4.6662 5.0155 5.0155 5.5258 5.5258 7.2748 7.2748 8.0357 8.0357 11.7537 11.7537 k =-0.4767 0.5006 0.4306 ( 5486 PWs) bands (ev): -81.1252 -81.1252 -49.5234 -49.5234 -37.4367 -37.4367 -37.2786 -37.2786 -10.7612 -10.7612 -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 1.7895 1.7895 2.4409 2.4409 2.7952 2.7952 2.8943 2.8943 3.0705 3.0705 3.4853 3.4853 4.6663 4.6663 5.0017 5.0017 5.5048 5.5048 7.2838 7.2838 8.0622 8.0622 11.6959 11.6959 k =-0.4767 0.5006 0.4486 ( 5486 PWs) bands (ev): -81.1252 -81.1252 -49.5236 -49.5236 -37.4372 -37.4372 -37.2791 -37.2791 -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 0.0806 0.0806 0.1860 0.1860 1.2094 1.2094 1.7341 1.7341 2.4518 2.4518 2.8053 2.8053 2.8965 2.8965 3.0509 3.0509 3.5075 3.5075 4.6618 4.6618 4.9894 4.9894 5.4843 5.4843 7.2959 7.2959 8.0884 8.0884 11.6378 11.6378 k =-0.4767 0.5006 0.4665 ( 5487 PWs) bands (ev): -81.1251 -81.1251 -49.5237 -49.5237 -37.4376 -37.4376 -37.2795 -37.2795 -10.7106 -10.7106 -10.4323 -10.4323 -9.6831 -9.6831 -9.2311 -9.2311 -0.7962 -0.7962 -0.5912 -0.5912 -0.4526 -0.4526 0.0404 0.0404 0.1690 0.1690 1.2442 1.2442 1.6768 1.6768 2.4624 2.4624 2.7976 2.7976 2.9180 2.9180 3.0309 3.0309 3.5276 3.5276 4.6532 4.6532 4.9785 4.9785 5.4643 5.4643 7.3110 7.3110 8.1142 8.1142 11.5805 11.5805 k =-0.4767 0.5006 0.4844 ( 5487 PWs) bands (ev): -81.1251 -81.1251 -49.5238 -49.5238 -37.4381 -37.4381 -37.2799 -37.2799 -10.6855 -10.6855 -10.4381 -10.4381 -9.6789 -9.6789 -9.2235 -9.2235 -0.8585 -0.8585 -0.5657 -0.5657 -0.4253 -0.4253 0.0002 0.0002 0.1586 0.1586 1.2792 1.2792 1.6184 1.6184 2.4728 2.4728 2.7837 2.7837 2.9449 2.9449 3.0127 3.0127 3.5455 3.5455 4.6409 4.6409 4.9686 4.9686 5.4448 5.4448 7.3288 7.3288 8.1394 8.1394 11.5247 11.5247 k =-0.4767 0.5006 0.5024 ( 5478 PWs) bands (ev): -81.1251 -81.1251 -49.5239 -49.5239 -37.4385 -37.4385 -37.2803 -37.2803 -10.6607 -10.6607 -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 1.3132 1.3132 1.5601 1.5601 2.4829 2.4829 2.7699 2.7699 2.9578 2.9578 3.0093 3.0093 3.5612 3.5612 4.6255 4.6255 4.9596 4.9596 5.4260 5.4260 7.3490 7.3490 8.1640 8.1640 11.4712 11.4712 k =-0.4767 0.5006 0.5203 ( 5480 PWs) bands (ev): -81.1251 -81.1251 -49.5241 -49.5241 -37.4390 -37.4390 -37.2806 -37.2806 -10.6363 -10.6363 -10.4494 -10.4494 -9.6711 -9.6711 -9.2088 -9.2088 -0.9838 -0.9838 -0.5099 -0.5099 -0.3751 -0.3751 -0.0762 -0.0762 0.1517 0.1517 1.3433 1.3433 1.5054 1.5054 2.4926 2.4926 2.7583 2.7583 2.9434 2.9434 3.0320 3.0320 3.5747 3.5747 4.6073 4.6073 4.9513 4.9513 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): -81.1251 -81.1251 -49.5242 -49.5242 -37.4394 -37.4394 -37.2810 -37.2810 -10.6125 -10.6125 -10.4547 -10.4547 -9.6676 -9.6676 -9.2017 -9.2017 -1.0450 -1.0450 -0.4801 -0.4801 -0.3535 -0.3535 -0.1104 -0.1104 0.1530 0.1530 1.3564 1.3564 1.4671 1.4671 2.5017 2.5017 2.7498 2.7498 2.9193 2.9193 3.0623 3.0623 3.5859 3.5859 4.5867 4.5867 4.9437 4.9437 5.3907 5.3907 7.3954 7.3954 8.2108 8.2108 11.3728 11.3728 k =-0.4767 0.5006 0.5562 ( 5476 PWs) bands (ev): -81.1250 -81.1250 -49.5243 -49.5243 -37.4398 -37.4398 -37.2813 -37.2813 -10.5895 -10.5895 -10.4597 -10.4597 -9.6643 -9.6643 -9.1949 -9.1949 -1.1044 -1.1044 -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 4.5638 4.5638 4.9368 4.9368 5.3744 5.3744 7.4209 7.4209 8.2329 8.2329 11.3288 11.3288 k =-0.4767 0.5006 0.5742 ( 5474 PWs) bands (ev): -81.1250 -81.1250 -49.5244 -49.5244 -37.4402 -37.4402 -37.2817 -37.2817 -10.5674 -10.5674 -10.4644 -10.4644 -9.6613 -9.6613 -9.1884 -9.1884 -1.1615 -1.1615 -0.4178 -0.4178 -0.3213 -0.3213 -0.1647 -0.1647 0.1611 0.1611 1.2758 1.2758 1.4972 1.4972 2.5187 2.5187 2.7426 2.7426 2.8634 2.8634 3.1233 3.1233 3.6022 3.6022 4.5391 4.5391 4.9307 4.9307 5.3591 5.3591 7.4473 7.4473 8.2538 8.2538 11.2884 11.2884 k =-0.4767 0.5006 0.5921 ( 5471 PWs) bands (ev): -81.1250 -81.1250 -49.5245 -49.5245 -37.4406 -37.4406 -37.2820 -37.2820 -10.5464 -10.5464 -10.4686 -10.4686 -9.6585 -9.6585 -9.1822 -9.1822 -1.2157 -1.2157 -0.3877 -0.3877 -0.3126 -0.3126 -0.1807 -0.1807 0.1669 0.1669 1.2155 1.2155 1.5323 1.5323 2.5265 2.5265 2.7438 2.7438 2.8336 2.8336 3.1519 3.1519 3.6075 3.6075 4.5126 4.5126 4.9253 4.9253 5.3448 5.3448 7.4742 7.4742 8.2737 8.2737 11.2519 11.2519 k =-0.4767 0.5006 0.6100 ( 5476 PWs) bands (ev): -81.1250 -81.1250 -49.5246 -49.5246 -37.4410 -37.4410 -37.2822 -37.2822 -10.5270 -10.5270 -10.4720 -10.4720 -9.6560 -9.6560 -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 2.8030 2.8030 3.1788 3.1788 3.6113 3.6113 4.4847 4.4847 4.9206 4.9206 5.3317 5.3317 7.5012 7.5012 8.2923 8.2923 11.2193 11.2193 k =-0.4767 0.5006 0.6280 ( 5476 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4413 -37.4413 -37.2825 -37.2825 -10.5100 -10.5100 -10.4740 -10.4740 -9.6538 -9.6538 -9.1710 -9.1710 -1.3142 -1.3142 -0.3587 -0.3587 -0.2863 -0.2863 -0.1854 -0.1854 0.1801 0.1801 1.0909 1.0909 1.6073 1.6073 2.5409 2.5409 2.7539 2.7539 2.7726 2.7726 3.2036 3.2036 3.6136 3.6136 4.4559 4.4559 4.9167 4.9167 5.3198 5.3198 7.5278 7.5278 8.3096 8.3096 11.1905 11.1905 k =-0.4767 0.5006 0.6459 ( 5467 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4416 -37.4416 -37.2827 -37.2827 -10.4980 -10.4980 -10.4719 -10.4719 -9.6519 -9.6519 -9.1659 -9.1659 -1.3579 -1.3579 -0.3678 -0.3678 -0.2565 -0.2565 -0.1787 -0.1787 0.1870 0.1870 1.0292 1.0292 1.6449 1.6449 2.5475 2.5475 2.7391 2.7391 2.7650 2.7650 3.2265 3.2265 3.6148 3.6148 4.4266 4.4266 4.9136 4.9136 5.3092 5.3092 7.5536 7.5536 8.3255 8.3255 11.1655 11.1655 k =-0.4767 0.5006 0.6639 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5248 -49.5248 -37.4419 -37.4419 -37.2829 -37.2829 -10.4938 -10.4938 -10.4632 -10.4632 -9.6502 -9.6502 -9.1614 -9.1614 -1.3976 -1.3976 -0.3822 -0.3822 -0.2231 -0.2231 -0.1693 -0.1693 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 4.3974 4.3974 4.9111 4.9111 5.2998 5.2998 7.5781 7.5781 8.3400 8.3400 11.1441 11.1441 k =-0.4767 0.5006 0.6818 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4422 -37.4422 -37.2831 -37.2831 -10.4941 -10.4941 -10.4512 -10.4512 -9.6488 -9.6488 -9.1573 -9.1573 -1.4331 -1.4331 -0.3976 -0.3976 -0.1906 -0.1906 -0.1573 -0.1573 0.2008 0.2008 0.9107 0.9107 1.7170 1.7170 2.5596 2.5596 2.6785 2.6785 2.7865 2.7865 3.2655 3.2655 3.6145 3.6145 4.3690 4.3690 4.9092 4.9092 5.2917 5.2917 7.6010 7.6010 8.3530 8.3530 11.1260 11.1260 k =-0.4767 0.5006 0.6998 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4424 -37.4424 -37.2833 -37.2833 -10.4956 -10.4956 -10.4393 -10.4393 -9.6476 -9.6476 -9.1537 -9.1537 -1.4642 -1.4642 -0.4122 -0.4122 -0.1663 -0.1663 -0.1381 -0.1381 0.2076 0.2076 0.8553 0.8553 1.7504 1.7504 2.5648 2.5648 2.6497 2.6497 2.7985 2.7985 3.2816 3.2816 3.6136 3.6136 4.3420 4.3420 4.9077 4.9077 5.2847 5.2847 7.6217 7.6217 8.3643 8.3643 11.1111 11.1111 k =-0.4767 0.5006 0.7177 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4426 -37.4426 -37.2834 -37.2834 -10.4973 -10.4973 -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 0.2143 0.2143 0.8038 0.8038 1.7810 1.7810 2.5693 2.5693 2.6230 2.6230 2.8103 2.8103 3.2953 3.2953 3.6124 3.6124 4.3173 4.3173 4.9067 4.9067 5.2790 5.2790 7.6400 7.6400 8.3741 8.3741 11.0991 11.0991 k =-0.4767 0.5006 0.7356 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4428 -37.4428 -37.2835 -37.2835 -10.4989 -10.4989 -10.4197 -10.4197 -9.6458 -9.6458 -9.1480 -9.1480 -1.5126 -1.5126 -0.4363 -0.4363 -0.1455 -0.1455 -0.0812 -0.0812 0.2208 0.2208 0.7575 0.7575 1.8079 1.8079 2.5727 2.5727 2.5997 2.5997 2.8212 2.8212 3.3066 3.3066 3.6111 3.6111 4.2957 4.2957 4.9059 4.9059 5.2744 5.2744 7.6554 7.6554 8.3821 8.3821 11.0897 11.0897 k =-0.4767 0.5006 0.7536 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4429 -37.4429 -37.2836 -37.2836 -10.5002 -10.5002 -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 0.2271 0.2271 0.7180 0.7180 1.8304 1.8304 2.5722 2.5722 2.5833 2.5833 2.8305 2.8305 3.3154 3.3154 3.6099 3.6099 4.2780 4.2780 4.9054 4.9054 5.2709 5.2709 7.6677 7.6677 8.3884 8.3884 11.0827 11.0827 k =-0.4767 0.5006 0.7715 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5011 -10.5011 -10.4074 -10.4074 -9.6448 -9.6448 -9.1446 -9.1446 -1.5419 -1.5419 -0.4515 -0.4515 -0.1357 -0.1357 -0.0362 -0.0362 0.2325 0.2325 0.6874 0.6874 1.8474 1.8474 2.5614 2.5614 2.5812 2.5812 2.8376 2.8376 3.3217 3.3217 3.6090 3.6090 4.2647 4.2647 4.9051 4.9051 5.2684 5.2684 7.6766 7.6766 8.3929 8.3929 11.0779 11.0779 k =-0.4767 0.5006 0.7895 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5017 -10.5017 -10.4043 -10.4043 -9.6446 -9.6446 -9.1437 -9.1437 -1.5493 -1.5493 -0.4553 -0.4553 -0.1333 -0.1333 -0.0237 -0.0237 0.2364 0.2364 0.6677 0.6677 1.8580 1.8580 2.5524 2.5524 2.5820 2.5820 2.8421 2.8421 3.3255 3.3255 3.6084 3.6084 4.2565 4.2565 4.9049 4.9049 5.2670 5.2670 7.6821 7.6821 8.3957 8.3957 11.0750 11.0750 k =-0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5019 -10.5019 -10.4032 -10.4032 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0194 -0.0194 0.2378 0.2378 0.6610 0.6610 1.8616 1.8616 2.5492 2.5492 2.5824 2.5824 2.8437 2.8437 3.3267 3.3267 3.6082 3.6082 4.2538 4.2538 4.9048 4.9048 5.2665 5.2665 7.6840 7.6840 8.3966 8.3966 11.0741 11.0741 k =-0.4767 0.5006 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5019 -10.5019 -10.4032 -10.4032 -9.6445 -9.6445 -9.1434 -9.1434 -1.5518 -1.5518 -0.4566 -0.4566 -0.1325 -0.1325 -0.0194 -0.0194 0.2378 0.2378 0.6610 0.6610 1.8616 1.8616 2.5492 2.5492 2.5824 2.5824 2.8437 2.8437 3.3267 3.3267 3.6082 3.6082 4.2538 4.2538 4.9048 4.9048 5.2665 5.2665 7.6840 7.6840 8.3966 8.3966 11.0741 11.0741 k =-0.4884 0.4884 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5021 -10.5021 -10.4030 -10.4030 -9.6457 -9.6457 -9.1419 -9.1419 -1.5534 -1.5534 -0.4573 -0.4573 -0.1364 -0.1364 -0.0211 -0.0211 0.2353 0.2353 0.6610 0.6610 1.8628 1.8628 2.5516 2.5516 2.5924 2.5924 2.8472 2.8472 3.3268 3.3268 3.6111 3.6111 4.2536 4.2536 4.9044 4.9044 5.2667 5.2667 7.6840 7.6840 8.3911 8.3911 11.0671 11.0671 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5021 -10.5021 -10.4029 -10.4029 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4575 -0.4575 -0.1377 -0.1377 -0.0217 -0.0217 0.2345 0.2345 0.6610 0.6610 1.8632 1.8632 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6121 3.6121 4.2535 4.2535 4.9043 4.9043 5.2668 5.2668 7.6840 7.6840 8.3893 8.3893 11.0648 11.0648 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5021 -10.5021 -10.4029 -10.4029 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4575 -0.4575 -0.1377 -0.1377 -0.0217 -0.0217 0.2345 0.2345 0.6610 0.6610 1.8632 1.8632 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6121 3.6121 4.2535 4.2535 4.9043 4.9043 5.2668 5.2668 7.6840 7.6840 8.3893 8.3893 11.0648 11.0648 k =-0.5000 0.4762 0.7895 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5019 -10.5019 -10.4040 -10.4040 -9.6461 -9.6461 -9.1416 -9.1416 -1.5515 -1.5515 -0.4563 -0.4563 -0.1384 -0.1384 -0.0259 -0.0259 0.2331 0.2331 0.6678 0.6678 1.8597 1.8597 2.5555 2.5555 2.5953 2.5953 2.8469 2.8469 3.3255 3.3255 3.6123 3.6123 4.2563 4.2563 4.9043 4.9043 5.2673 5.2673 7.6822 7.6822 8.3884 8.3884 11.0658 11.0658 k =-0.5000 0.4762 0.7715 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5014 -10.5014 -10.4071 -10.4071 -9.6464 -9.6464 -9.1425 -9.1425 -1.5441 -1.5441 -0.4524 -0.4524 -0.1408 -0.1408 -0.0383 -0.0383 0.2292 0.2292 0.6874 0.6874 1.8491 1.8491 2.5647 2.5647 2.5942 2.5942 2.8423 2.8423 3.3216 3.3216 3.6129 3.6129 4.2645 4.2645 4.9045 4.9045 5.2688 5.2688 7.6767 7.6767 8.3856 8.3856 11.0686 11.0686 k =-0.5000 0.4762 0.7536 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4429 -37.4429 -37.2836 -37.2836 -10.5004 -10.5004 -10.4123 -10.4123 -9.6468 -9.6468 -9.1440 -9.1440 -1.5318 -1.5318 -0.4460 -0.4460 -0.1447 -0.1447 -0.0580 -0.0580 0.2238 0.2238 0.7180 0.7180 1.8323 1.8323 2.5784 2.5784 2.5934 2.5934 2.8351 2.8351 3.3152 3.3152 3.6138 3.6138 4.2779 4.2779 4.9049 4.9049 5.2713 5.2713 7.6678 7.6678 8.3810 8.3810 11.0734 11.0734 k =-0.5000 0.4762 0.7356 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4428 -37.4428 -37.2835 -37.2835 -10.4991 -10.4991 -10.4194 -10.4194 -9.6474 -9.6474 -9.1460 -9.1460 -1.5147 -1.5147 -0.4373 -0.4373 -0.1503 -0.1503 -0.0833 -0.0833 0.2176 0.2176 0.7574 0.7574 1.8099 1.8099 2.5852 2.5852 2.6033 2.6033 2.8257 2.8257 3.3063 3.3063 3.6149 3.6149 4.2957 4.2957 4.9054 4.9054 5.2749 5.2749 7.6554 7.6554 8.3747 8.3747 11.0804 11.0804 k =-0.5000 0.4762 0.7177 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5250 -49.5250 -37.4426 -37.4426 -37.2834 -37.2834 -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 0.2111 0.2111 0.8037 0.8037 1.7830 1.7830 2.5824 2.5824 2.6259 2.6259 2.8147 2.8147 3.2949 3.2949 3.6161 3.6161 4.3175 4.3175 4.9061 4.9061 5.2796 5.2796 7.6400 7.6400 8.3665 8.3665 11.0898 11.0898 k =-0.5000 0.4762 0.6998 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4424 -37.4424 -37.2833 -37.2833 -10.4959 -10.4959 -10.4390 -10.4390 -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 1.7526 1.7526 2.5780 2.5780 2.6523 2.6523 2.8027 2.8027 3.2809 3.2809 3.6172 3.6172 4.3423 4.3423 4.9072 4.9072 5.2855 5.2855 7.6217 7.6217 8.3567 8.3567 11.1018 11.1018 k =-0.5000 0.4762 0.6818 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5249 -49.5249 -37.4422 -37.4422 -37.2831 -37.2831 -10.4943 -10.4943 -10.4509 -10.4509 -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 0.9105 0.9105 1.7194 1.7194 2.5727 2.5727 2.6809 2.6809 2.7906 2.7906 3.2646 3.2646 3.6180 3.6180 4.3694 4.3694 4.9086 4.9086 5.2925 5.2925 7.6009 7.6009 8.3451 8.3451 11.1166 11.1166 k =-0.5000 0.4762 0.6639 ( 5472 PWs) bands (ev): -81.1250 -81.1250 -49.5248 -49.5248 -37.4419 -37.4419 -37.2829 -37.2829 -10.4939 -10.4939 -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 1.6842 1.6842 2.5669 2.5669 2.7110 2.7110 2.7788 2.7788 3.2460 3.2460 3.6184 3.6184 4.3980 4.3980 4.9106 4.9106 5.3008 5.3008 7.5780 7.5780 8.3320 8.3320 11.1347 11.1347 k =-0.5000 0.4762 0.6459 ( 5464 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4416 -37.4416 -37.2827 -37.2827 -10.4979 -10.4979 -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 1.0291 1.0291 1.6476 1.6476 2.5607 2.5607 2.7415 2.7415 2.7685 2.7685 3.2250 3.2250 3.6180 3.6180 4.4274 4.4274 4.9131 4.9131 5.3104 5.3104 7.5534 7.5534 8.3173 8.3173 11.1561 11.1561 k =-0.5000 0.4762 0.6280 ( 5470 PWs) bands (ev): -81.1250 -81.1250 -49.5247 -49.5247 -37.4413 -37.4413 -37.2825 -37.2825 -10.5097 -10.5097 -10.4741 -10.4741 -9.6555 -9.6555 -9.1690 -9.1690 -1.3164 -1.3164 -0.3604 -0.3604 -0.2876 -0.2876 -0.1893 -0.1893 0.1772 0.1772 1.0908 1.0908 1.6102 1.6102 2.5540 2.5540 2.7574 2.7574 2.7746 2.7746 3.2019 3.2019 3.6166 3.6166 4.4569 4.4569 4.9162 4.9162 5.3212 5.3212 7.5276 7.5276 8.3012 8.3012 11.1811 11.1811 k =-0.5000 0.4762 0.6100 ( 5474 PWs) bands (ev): -81.1250 -81.1250 -49.5246 -49.5246 -37.4410 -37.4410 -37.2822 -37.2822 -10.5266 -10.5266 -10.4722 -10.4722 -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 2.8050 2.8050 3.1766 3.1766 3.6141 3.6141 4.4859 4.4859 4.9201 4.9201 5.3333 5.3333 7.5008 7.5008 8.2836 8.2836 11.2099 11.2099 k =-0.5000 0.4762 0.5921 ( 5466 PWs) bands (ev): -81.1250 -81.1250 -49.5245 -49.5245 -37.4406 -37.4406 -37.2820 -37.2820 -10.5460 -10.5460 -10.4688 -10.4688 -9.6602 -9.6602 -9.1803 -9.1803 -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 2.5396 2.5396 2.7467 2.7467 2.8355 2.8355 3.1494 3.1494 3.6102 3.6102 4.5139 4.5139 4.9248 4.9248 5.3466 5.3466 7.4738 7.4738 8.2648 8.2648 11.2425 11.2425 k =-0.5000 0.4762 0.5742 ( 5466 PWs) bands (ev): -81.1250 -81.1250 -49.5244 -49.5244 -37.4402 -37.4402 -37.2816 -37.2816 -10.5669 -10.5669 -10.4646 -10.4646 -9.6630 -9.6630 -9.1866 -9.1866 -1.1638 -1.1638 -0.4189 -0.4189 -0.3251 -0.3251 -0.1662 -0.1662 0.1585 0.1585 1.2760 1.2760 1.5003 1.5003 2.5319 2.5319 2.7451 2.7451 2.8654 2.8654 3.1204 3.1204 3.6046 3.6046 4.5406 4.5406 4.9302 4.9302 5.3610 5.3610 7.4469 7.4469 8.2447 8.2447 11.2790 11.2790 k =-0.5000 0.4762 0.5562 ( 5474 PWs) bands (ev): -81.1250 -81.1250 -49.5243 -49.5243 -37.4398 -37.4398 -37.2813 -37.2813 -10.5890 -10.5890 -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 1.3298 1.3298 1.4720 1.4720 2.5237 2.5237 2.7467 2.7467 2.8941 2.8941 3.0899 3.0899 3.5972 3.5972 4.5656 4.5656 4.9363 4.9363 5.3766 5.3766 7.4204 7.4204 8.2234 8.2234 11.3193 11.3193 k =-0.5000 0.4762 0.5383 ( 5482 PWs) bands (ev): -81.1251 -81.1251 -49.5242 -49.5242 -37.4394 -37.4394 -37.2810 -37.2810 -10.6120 -10.6120 -10.4549 -10.4549 -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 3.5879 3.5879 4.5886 4.5886 4.9432 4.9432 5.3931 5.3931 7.3949 7.3949 8.2011 8.2011 11.3633 11.3633 k =-0.5000 0.4762 0.5203 ( 5488 PWs) bands (ev): -81.1251 -81.1251 -49.5241 -49.5241 -37.4390 -37.4390 -37.2807 -37.2807 -10.6358 -10.6358 -10.4496 -10.4496 -9.6729 -9.6729 -9.2070 -9.2070 -0.9863 -0.9863 -0.5108 -0.5108 -0.3794 -0.3794 -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 4.6093 4.6093 4.9508 4.9508 5.4105 5.4105 7.3708 7.3708 8.1778 8.1778 11.4109 11.4109 k =-0.5000 0.4762 0.5024 ( 5482 PWs) bands (ev): -81.1251 -81.1251 -49.5239 -49.5239 -37.4386 -37.4386 -37.2803 -37.2803 -10.6601 -10.6601 -10.4441 -10.4441 -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 1.5605 1.5605 2.4961 2.4961 2.7712 2.7712 2.9595 2.9595 3.0049 3.0049 3.5628 3.5628 4.6276 4.6276 4.9592 4.9592 5.4287 5.4287 7.3485 7.3485 8.1536 8.1536 11.4616 11.4616 k =-0.5000 0.4762 0.4844 ( 5486 PWs) bands (ev): -81.1251 -81.1251 -49.5238 -49.5238 -37.4381 -37.4381 -37.2799 -37.2799 -10.6849 -10.6849 -10.4384 -10.4384 -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 1.2833 1.2833 1.6188 1.6188 2.4860 2.4860 2.7846 2.7846 2.9434 2.9434 3.0112 3.0112 3.5469 3.5469 4.6431 4.6431 4.9683 4.9683 5.4476 5.4476 7.3282 7.3282 8.1287 8.1287 11.5151 11.5151 k =-0.5000 0.4762 0.4665 ( 5492 PWs) bands (ev): -81.1251 -81.1251 -49.5237 -49.5237 -37.4377 -37.4377 -37.2795 -37.2795 -10.7100 -10.7100 -10.4325 -10.4325 -9.6849 -9.6849 -9.2294 -9.2294 -0.7991 -0.7991 -0.5919 -0.5919 -0.4564 -0.4564 0.0404 0.0404 0.1664 0.1664 1.2486 1.2486 1.6773 1.6773 2.4755 2.4755 2.7978 2.7978 2.9155 2.9155 3.0304 3.0304 3.5289 3.5289 4.6553 4.6553 4.9783 4.9783 5.4672 5.4672 7.3104 7.3104 8.1032 8.1032 11.5708 11.5708 k =-0.5000 0.4762 0.4486 ( 5488 PWs) bands (ev): -81.1252 -81.1252 -49.5236 -49.5236 -37.4372 -37.4372 -37.2791 -37.2791 -10.7353 -10.7353 -10.4265 -10.4265 -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 1.2139 1.2139 1.7347 1.7347 2.4647 2.4647 2.8042 2.8042 2.8944 2.8944 3.0508 3.0508 3.5086 3.5086 4.6639 4.6639 4.9894 4.9894 5.4873 5.4873 7.2953 7.2953 8.0771 8.0771 11.6280 11.6280 k =-0.5000 0.4762 0.4306 ( 5484 PWs) bands (ev): -81.1252 -81.1252 -49.5234 -49.5234 -37.4367 -37.4367 -37.2786 -37.2786 -10.7605 -10.7605 -10.4204 -10.4204 -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 1.7903 1.7903 2.4537 2.4537 2.7919 2.7919 2.8938 2.8938 3.0704 3.0704 3.4863 3.4863 4.6682 4.6682 5.0019 5.0019 5.5079 5.5079 7.2832 7.2832 8.0506 8.0506 11.6860 11.6860 k =-0.5000 0.4762 0.4127 ( 5480 PWs) bands (ev): -81.1252 -81.1252 -49.5233 -49.5233 -37.4363 -37.4363 -37.2782 -37.2782 -10.7858 -10.7858 -10.4143 -10.4143 -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 1.8434 1.8434 2.4426 2.4426 2.7635 2.7635 2.9116 2.9116 3.0889 3.0889 3.4620 3.4620 4.6679 4.6679 5.0159 5.0159 5.5290 5.5290 7.2742 7.2742 8.0238 8.0238 11.7437 11.7437 k =-0.5000 0.4762 0.3947 ( 5476 PWs) bands (ev): -81.1252 -81.1252 -49.5232 -49.5232 -37.4358 -37.4358 -37.2778 -37.2778 -10.8108 -10.8108 -10.4081 -10.4081 -9.7032 -9.7032 -9.2605 -9.2605 -0.6908 -0.6908 -0.5746 -0.5746 -0.5627 -0.5627 0.1984 0.1984 0.2859 0.2859 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 4.6624 4.6624 5.0317 5.0317 5.5504 5.5504 7.2686 7.2686 7.9969 7.9969 11.8003 11.8003 k =-0.5000 0.4762 0.3768 ( 5480 PWs) bands (ev): -81.1252 -81.1252 -49.5230 -49.5230 -37.4354 -37.4354 -37.2773 -37.2773 -10.8355 -10.8355 -10.4020 -10.4020 -9.7080 -9.7080 -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 1.9398 1.9398 2.4201 2.4201 2.6932 2.6932 2.9692 2.9692 3.1219 3.1219 3.4082 3.4082 4.6515 4.6515 5.0492 5.0492 5.5720 5.5720 7.2664 7.2664 7.9700 7.9700 11.8545 11.8545 k =-0.5000 0.4762 0.3588 ( 5476 PWs) bands (ev): -81.1252 -81.1252 -49.5229 -49.5229 -37.4349 -37.4349 -37.2769 -37.2769 -10.8597 -10.8597 -10.3959 -10.3959 -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 1.9818 1.9818 2.4090 2.4090 2.6579 2.6579 3.0029 3.0029 3.1364 3.1364 3.3791 3.3791 4.6351 4.6351 5.0684 5.0684 5.5938 5.5938 7.2677 7.2677 7.9432 7.9432 11.9053 11.9053 k =-0.5000 0.4762 0.3409 ( 5466 PWs) bands (ev): -81.1253 -81.1253 -49.5228 -49.5228 -37.4345 -37.4345 -37.2764 -37.2764 -10.8835 -10.8835 -10.3899 -10.3899 -9.7177 -9.7177 -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 5.0890 5.0890 5.6158 5.6158 7.2724 7.2724 7.9168 7.9168 11.9516 11.9516 k =-0.5000 0.4762 0.3230 ( 5464 PWs) bands (ev): -81.1253 -81.1253 -49.5227 -49.5227 -37.4341 -37.4341 -37.2759 -37.2759 -10.9066 -10.9066 -10.3839 -10.3839 -9.7226 -9.7226 -9.2907 -9.2907 -0.7813 -0.7813 -0.6582 -0.6582 -0.4326 -0.4326 0.4059 0.4059 0.4998 0.4998 0.9993 0.9993 2.0488 2.0488 2.3871 2.3871 2.5946 2.5946 3.0757 3.0757 3.1615 3.1615 3.3179 3.3179 4.5859 4.5859 5.1109 5.1109 5.6377 5.6377 7.2806 7.2806 7.8907 7.8907 11.9925 11.9925 k =-0.5000 0.4762 0.3050 ( 5476 PWs) bands (ev): -81.1253 -81.1253 -49.5225 -49.5225 -37.4337 -37.4337 -37.2755 -37.2755 -10.9290 -10.9290 -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 2.0717 2.0717 2.3761 2.3761 2.5697 2.5697 3.1136 3.1136 3.1719 3.1719 3.2866 3.2866 4.5534 4.5534 5.1337 5.1337 5.6594 5.6594 7.2921 7.2921 7.8652 7.8652 12.0272 12.0272 k =-0.5000 0.4762 0.2871 ( 5472 PWs) bands (ev): -81.1253 -81.1253 -49.5224 -49.5224 -37.4333 -37.4333 -37.2751 -37.2751 -10.9506 -10.9506 -10.3725 -10.3725 -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 2.0863 2.0863 2.3644 2.3644 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): -81.1253 -81.1253 -49.5223 -49.5223 -37.4329 -37.4329 -37.2746 -37.2746 -10.9713 -10.9713 -10.3671 -10.3671 -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 2.0923 2.0923 2.3516 2.3516 2.5405 2.5405 3.1799 3.1799 3.1931 3.1931 3.2302 3.2302 4.4741 4.4741 5.1808 5.1808 5.7020 5.7020 7.3239 7.3239 7.8168 7.8168 12.0769 12.0769 k =-0.5000 0.4762 0.2512 ( 5462 PWs) bands (ev): -81.1253 -81.1253 -49.5222 -49.5222 -37.4325 -37.4325 -37.2742 -37.2742 -10.9910 -10.9910 -10.3618 -10.3618 -9.7409 -9.7409 -9.3178 -9.3178 -0.8834 -0.8834 -0.7033 -0.7033 -0.3785 -0.3785 0.6514 0.6514 0.7680 0.7680 0.9249 0.9249 2.0901 2.0901 2.3371 2.3371 2.5377 2.5377 3.1711 3.1711 3.2107 3.2107 3.2354 3.2354 4.4280 4.4280 5.2045 5.2045 5.7225 5.7225 7.3437 7.3437 7.7941 7.7941 12.0921 12.0921 k =-0.5000 0.4762 0.2333 ( 5466 PWs) bands (ev): -81.1254 -81.1254 -49.5221 -49.5221 -37.4322 -37.4322 -37.2738 -37.2738 -11.0097 -11.0097 -10.3569 -10.3569 -9.7451 -9.7451 -9.3239 -9.3239 -0.9083 -0.9083 -0.7091 -0.7091 -0.3725 -0.3725 0.7034 0.7034 0.8273 0.8273 0.9344 0.9344 2.0808 2.0808 2.3212 2.3212 2.5417 2.5417 3.1455 3.1455 3.2138 3.2138 3.2712 3.2712 4.3783 4.3783 5.2278 5.2278 5.7424 5.7424 7.3655 7.3655 7.7727 7.7727 12.1013 12.1013 k =-0.5000 0.4762 0.2153 ( 5470 PWs) bands (ev): -81.1254 -81.1254 -49.5220 -49.5220 -37.4319 -37.4319 -37.2735 -37.2735 -11.0273 -11.0273 -10.3521 -10.3521 -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 2.0662 2.0662 2.3042 2.3042 2.5507 2.5507 3.1162 3.1162 3.2184 3.2184 3.3082 3.3082 4.3253 4.3253 5.2506 5.2506 5.7615 5.7615 7.3888 7.3888 7.7527 7.7527 12.1055 12.1055 k =-0.5000 0.4762 0.1974 ( 5478 PWs) bands (ev): -81.1254 -81.1254 -49.5219 -49.5219 -37.4316 -37.4316 -37.2731 -37.2731 -11.0437 -11.0437 -10.3477 -10.3477 -9.7530 -9.7530 -9.3350 -9.3350 -0.9548 -0.9548 -0.7165 -0.7165 -0.3654 -0.3654 0.7678 0.7678 0.8860 0.8860 1.0560 1.0560 2.0479 2.0479 2.2865 2.2865 2.5630 2.5630 3.0868 3.0868 3.2232 3.2232 3.3446 3.3446 4.2698 4.2698 5.2726 5.2726 5.7796 5.7796 7.4131 7.4131 7.7343 7.7343 12.1053 12.1053 k =-0.5000 0.4762 0.1794 ( 5470 PWs) bands (ev): -81.1254 -81.1254 -49.5218 -49.5218 -37.4313 -37.4313 -37.2728 -37.2728 -11.0589 -11.0589 -10.3436 -10.3436 -9.7565 -9.7565 -9.3399 -9.3399 -0.9761 -0.9761 -0.7185 -0.7185 -0.3635 -0.3635 0.7727 0.7727 0.9227 0.9227 1.1356 1.1356 2.0275 2.0275 2.2684 2.2684 2.5770 2.5770 3.0583 3.0583 3.2276 3.2276 3.3798 3.3798 4.2124 4.2124 5.2934 5.2934 5.7966 5.7966 7.4376 7.4376 7.7179 7.7179 12.1019 12.1019 k =-0.5000 0.4762 0.1615 ( 5474 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4311 -37.4311 -37.2725 -37.2725 -11.0728 -11.0728 -10.3398 -10.3398 -9.7598 -9.7598 -9.3445 -9.3445 -0.9957 -0.9957 -0.7197 -0.7197 -0.3625 -0.3625 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 4.1537 4.1537 5.3130 5.3130 5.8125 5.8125 7.4616 7.4616 7.7037 7.7037 12.0959 12.0959 k =-0.5000 0.4762 0.1435 ( 5462 PWs) bands (ev): -81.1254 -81.1254 -49.5217 -49.5217 -37.4309 -37.4309 -37.2722 -37.2722 -11.0853 -11.0853 -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 1.9855 1.9855 2.2320 2.2320 2.6060 2.6060 3.0067 3.0067 3.2349 3.2349 3.4459 3.4459 4.0948 4.0948 5.3311 5.3311 5.8270 5.8270 7.4841 7.4841 7.6921 7.6921 12.0884 12.0884 k =-0.5000 0.4762 0.1256 ( 5462 PWs) bands (ev): -81.1254 -81.1254 -49.5216 -49.5216 -37.4307 -37.4307 -37.2719 -37.2719 -11.0965 -11.0965 -10.3333 -10.3333 -9.7654 -9.7654 -9.3523 -9.3523 -1.0297 -1.0297 -0.7201 -0.7201 -0.3618 -0.3618 0.7520 0.7520 1.0519 1.0519 1.3673 1.3673 1.9658 1.9658 2.2141 2.2141 2.6197 2.6197 2.9841 2.9841 3.2378 3.2378 3.4765 3.4765 4.0363 4.0363 5.3475 5.3475 5.8402 5.8402 7.5042 7.5042 7.6834 7.6834 12.0799 12.0799 k =-0.5000 0.4762 0.1077 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5215 -49.5215 -37.4305 -37.4305 -37.2717 -37.2717 -11.1063 -11.1063 -10.3306 -10.3306 -9.7678 -9.7678 -9.3555 -9.3555 -1.0437 -1.0437 -0.7198 -0.7198 -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 3.9793 3.9793 5.3620 5.3620 5.8517 5.8517 7.5210 7.5210 7.6781 7.6781 12.0713 12.0713 k =-0.5000 0.4762 0.0897 ( 5466 PWs) bands (ev): -81.1255 -81.1255 -49.5215 -49.5215 -37.4304 -37.4304 -37.2715 -37.2715 -11.1146 -11.1146 -10.3283 -10.3283 -9.7698 -9.7698 -9.3583 -9.3583 -1.0558 -1.0558 -0.7192 -0.7192 -0.3621 -0.3621 0.7364 0.7364 1.1271 1.1271 1.4962 1.4962 1.9327 1.9327 2.1804 2.1804 2.6433 2.6433 2.9471 2.9471 3.2421 3.2421 3.5329 3.5329 3.9250 3.9250 5.3746 5.3746 5.8617 5.8617 7.5338 7.5338 7.6761 7.6761 12.0631 12.0631 k =-0.5000 0.4762 0.0718 ( 5456 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4302 -37.4302 -37.2713 -37.2713 -11.1215 -11.1215 -10.3264 -10.3264 -9.7714 -9.7714 -9.3605 -9.3605 -1.0657 -1.0657 -0.7185 -0.7185 -0.3623 -0.3623 0.7302 0.7302 1.1579 1.1579 1.5483 1.5483 1.9202 1.9202 2.1657 2.1657 2.6528 2.6528 2.9330 2.9330 3.2437 3.2437 3.5589 3.5589 3.8744 3.8744 5.3851 5.3851 5.8699 5.8699 7.5425 7.5425 7.6771 7.6771 12.0558 12.0558 k =-0.5000 0.4762 0.0538 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4302 -37.4302 -37.2712 -37.2712 -11.1268 -11.1268 -10.3249 -10.3249 -9.7728 -9.7728 -9.3623 -9.3623 -1.0735 -1.0735 -0.7179 -0.7179 -0.3626 -0.3626 0.7253 0.7253 1.1830 1.1830 1.5902 1.5902 1.9107 1.9107 2.1532 2.1532 2.6605 2.6605 2.9220 2.9220 3.2448 3.2448 3.5836 3.5836 3.8287 3.8287 5.3933 5.3933 5.8764 5.8764 7.5478 7.5478 7.6799 7.6799 12.0497 12.0497 k =-0.5000 0.4762 0.0359 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1306 -11.1306 -10.3238 -10.3238 -9.7737 -9.7737 -9.3636 -9.3636 -1.0791 -1.0791 -0.7174 -0.7174 -0.3628 -0.3628 0.7217 0.7217 1.2016 1.2016 1.6208 1.6208 1.9043 1.9043 2.1437 2.1437 2.6662 2.6662 2.9141 2.9141 3.2456 3.2456 3.6063 3.6063 3.7899 3.7899 5.3992 5.3992 5.8811 5.8811 7.5506 7.5506 7.6832 7.6832 12.0452 12.0452 k =-0.5000 0.4762 0.0179 ( 5464 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4301 -37.4301 -37.2711 -37.2711 -11.1329 -11.1329 -10.3232 -10.3232 -9.7743 -9.7743 -9.3643 -9.3643 -1.0824 -1.0824 -0.7171 -0.7171 -0.3630 -0.3630 0.7196 0.7196 1.2130 1.2130 1.6394 1.6394 1.9007 1.9007 2.1376 2.1376 2.6696 2.6696 2.9094 2.9094 3.2460 3.2460 3.6247 3.6247 3.7613 3.7613 5.4028 5.4028 5.8839 5.8839 7.5519 7.5519 7.6856 7.6856 12.0423 12.0423 k =-0.5000 0.4762 0.0000 ( 5472 PWs) bands (ev): -81.1255 -81.1255 -49.5214 -49.5214 -37.4300 -37.4300 -37.2711 -37.2711 -11.1337 -11.1337 -10.3230 -10.3230 -9.7744 -9.7744 -9.3646 -9.3646 -1.0835 -1.0835 -0.7170 -0.7170 -0.3630 -0.3630 0.7188 0.7188 1.2168 1.2168 1.6456 1.6456 1.8996 1.8996 2.1355 2.1355 2.6708 2.6708 2.9078 2.9078 3.2462 3.2462 3.6326 3.6326 3.7499 3.7499 5.4040 5.4040 5.8849 5.8849 7.5523 7.5523 7.6865 7.6865 12.0414 12.0414 k = 0.0000 0.0000 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4592 -10.4592 -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 0.6945 0.6945 1.4138 1.4138 2.0213 2.0213 2.0622 2.0622 2.5705 2.5705 3.0660 3.0660 3.1080 3.1080 4.2608 4.2608 5.1104 5.1104 5.6809 5.6809 7.6122 7.6122 7.7896 7.7896 12.0986 12.0986 k =-0.0132 0.0125 0.8074 ( 5484 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4601 -10.4601 -10.4533 -10.4533 -9.7027 -9.7027 -9.0954 -9.0954 -1.3839 -1.3839 -0.3014 -0.3014 -0.0300 -0.0300 0.4180 0.4180 0.6597 0.6597 0.6945 0.6945 1.4145 1.4145 2.0223 2.0223 2.0637 2.0637 2.5706 2.5706 3.0669 3.0669 3.1078 3.1078 4.2609 4.2609 5.1102 5.1102 5.6800 5.6800 7.6126 7.6126 7.7903 7.7903 12.0972 12.0972 k =-0.0263 0.0251 0.8074 ( 5488 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4618 -10.4618 -10.4516 -10.4516 -9.7024 -9.7024 -9.0956 -9.0956 -1.3847 -1.3847 -0.3036 -0.3036 -0.0326 -0.0326 0.4192 0.4192 0.6567 0.6567 0.6946 0.6946 1.4166 1.4166 2.0253 2.0253 2.0682 2.0682 2.5709 2.5709 3.0696 3.0696 3.1071 3.1071 4.2613 4.2613 5.1096 5.1096 5.6775 5.6775 7.6137 7.6137 7.7924 7.7924 12.0931 12.0931 k =-0.0395 0.0376 0.8074 ( 5496 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4637 -10.4637 -10.4496 -10.4496 -9.7019 -9.7019 -9.0960 -9.0960 -1.3859 -1.3859 -0.3070 -0.3070 -0.0368 -0.0368 0.4210 0.4210 0.6518 0.6518 0.6947 0.6947 1.4201 1.4201 2.0302 2.0302 2.0756 2.0756 2.5715 2.5715 3.0741 3.0741 3.1060 3.1060 4.2618 4.2618 5.1085 5.1085 5.6734 5.6734 7.6156 7.6156 7.7960 7.7960 12.0861 12.0861 k =-0.0526 0.0501 0.8074 ( 5494 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4657 -10.4657 -10.4475 -10.4475 -9.7013 -9.7013 -9.0966 -9.0966 -1.3877 -1.3877 -0.3116 -0.3116 -0.0425 -0.0425 0.4233 0.4233 0.6450 0.6450 0.6947 0.6947 1.4250 1.4250 2.0370 2.0370 2.0858 2.0858 2.5723 2.5723 3.0803 3.0803 3.1046 3.1046 4.2625 4.2625 5.1070 5.1070 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): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4677 -10.4677 -10.4453 -10.4453 -9.7004 -9.7004 -9.0973 -9.0973 -1.3899 -1.3899 -0.3172 -0.3172 -0.0497 -0.0497 0.4258 0.4258 0.6367 0.6367 0.6948 0.6948 1.4312 1.4312 2.0455 2.0455 2.0986 2.0986 2.5733 2.5733 3.0883 3.0883 3.1030 3.1030 4.2633 4.2633 5.1052 5.1052 5.6602 5.6602 7.6210 7.6210 7.8077 7.8077 12.0630 12.0630 k =-0.0789 0.0752 0.8074 ( 5490 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4697 -10.4697 -10.4431 -10.4431 -9.6994 -9.6994 -9.0981 -9.0981 -1.3927 -1.3927 -0.3236 -0.3236 -0.0584 -0.0584 0.4282 0.4282 0.6269 0.6269 0.6947 0.6947 1.4388 1.4388 2.0558 2.0558 2.1140 2.1140 2.5745 2.5745 3.0979 3.0979 3.1015 3.1015 4.2643 4.2643 5.1029 5.1029 5.6513 5.6513 7.6244 7.6244 7.8159 7.8159 12.0466 12.0466 k =-0.0921 0.0877 0.8074 ( 5502 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4717 -10.4717 -10.4410 -10.4410 -9.6982 -9.6982 -9.0991 -9.0991 -1.3959 -1.3959 -0.3306 -0.3306 -0.0682 -0.0682 0.4303 0.4303 0.6158 0.6158 0.6946 0.6946 1.4476 1.4476 2.0677 2.0677 2.1317 2.1317 2.5760 2.5760 3.0998 3.0998 3.1094 3.1094 4.2654 4.2654 5.1002 5.1002 5.6410 5.6410 7.6280 7.6280 7.8258 7.8258 12.0267 12.0267 k =-0.1053 0.1002 0.8074 ( 5494 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4737 -10.4737 -10.4389 -10.4389 -9.6968 -9.6968 -9.1002 -9.1002 -1.3996 -1.3996 -0.3380 -0.3380 -0.0792 -0.0792 0.4317 0.4317 0.6038 0.6038 0.6942 0.6942 1.4578 1.4578 2.0811 2.0811 2.1514 2.1514 2.5776 2.5776 3.0985 3.0985 3.1222 3.1222 4.2665 4.2665 5.0971 5.0971 5.6294 5.6294 7.6317 7.6317 7.8375 7.8375 12.0033 12.0033 k =-0.1184 0.1128 0.8074 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4756 -10.4756 -10.4367 -10.4367 -9.6953 -9.6953 -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 2.0959 2.0959 2.1731 2.1731 2.5795 2.5795 3.0977 3.0977 3.1365 3.1365 4.2678 4.2678 5.0936 5.0936 5.6164 5.6164 7.6355 7.6355 7.8508 7.8508 11.9764 11.9764 k =-0.1316 0.1253 0.8074 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4774 -10.4774 -10.4347 -10.4347 -9.6937 -9.6937 -9.1028 -9.1028 -1.4084 -1.4084 -0.3530 -0.3530 -0.1040 -0.1040 0.4308 0.4308 0.5783 0.5783 0.6928 0.6928 1.4816 1.4816 2.1119 2.1119 2.1964 2.1964 2.5816 2.5816 3.0976 3.0976 3.1522 3.1522 4.2689 4.2689 5.0896 5.0896 5.6024 5.6024 7.6392 7.6392 7.8658 7.8658 11.9460 11.9460 k =-0.1447 0.1378 0.8074 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4792 -10.4792 -10.4326 -10.4326 -9.6919 -9.6919 -9.1043 -9.1043 -1.4135 -1.4135 -0.3602 -0.3602 -0.1175 -0.1175 0.4278 0.4278 0.5654 0.5654 0.6916 0.6916 1.4951 1.4951 2.1290 2.1290 2.2211 2.2211 2.5840 2.5840 3.0982 3.0982 3.1692 3.1692 4.2700 4.2700 5.0853 5.0853 5.5872 5.5872 7.6429 7.6429 7.8825 7.8825 11.9124 11.9124 k =-0.1579 0.1504 0.8074 ( 5492 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4809 -10.4809 -10.4306 -10.4306 -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 0.6902 0.6902 1.5096 1.5096 2.1471 2.1471 2.2470 2.2470 2.5866 2.5866 3.0997 3.0997 3.1874 3.1874 4.2711 4.2711 5.0805 5.0805 5.5712 5.5712 7.6464 7.6464 7.9007 7.9007 11.8759 11.8759 k =-0.1711 0.1629 0.8074 ( 5484 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4826 -10.4826 -10.4286 -10.4286 -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 0.6884 0.6884 1.5251 1.5251 2.1661 2.1661 2.2738 2.2738 2.5895 2.5895 3.1023 3.1023 3.2067 3.2067 4.2721 4.2721 5.0754 5.0754 5.5544 5.5544 7.6497 7.6497 7.9203 7.9203 11.8369 11.8369 k =-0.1842 0.1754 0.8074 ( 5480 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4842 -10.4842 -10.4267 -10.4267 -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 4.2730 4.2730 5.0698 5.0698 5.5369 5.5369 7.6529 7.6529 7.9412 7.9412 11.7956 11.7956 k =-0.1974 0.1880 0.8074 ( 5486 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.4857 -10.4857 -10.4249 -10.4249 -9.6837 -9.6837 -9.1110 -9.1110 -1.4375 -1.4375 -0.3838 -0.3838 -0.1752 -0.1752 0.3934 0.3934 0.5176 0.5176 0.6841 0.6841 1.5582 1.5582 2.2060 2.2060 2.3292 2.3292 2.5962 2.5962 3.1111 3.1111 3.2478 3.2478 4.2737 4.2737 5.0639 5.0639 5.5190 5.5190 7.6559 7.6559 7.9632 7.9632 11.7527 11.7527 k =-0.2105 0.2005 0.8074 ( 5478 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4872 -10.4872 -10.4231 -10.4231 -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 0.6817 0.6817 1.5758 1.5758 2.2267 2.2267 2.3572 2.3572 2.6003 2.6003 3.1173 3.1173 3.2694 3.2694 4.2743 4.2743 5.0575 5.0575 5.5008 5.5008 7.6587 7.6587 7.9862 7.9862 11.7085 11.7085 k =-0.2237 0.2130 0.8074 ( 5470 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4885 -10.4885 -10.4214 -10.4214 -9.6792 -9.6792 -9.1147 -9.1147 -1.4513 -1.4513 -0.3913 -0.3913 -0.2038 -0.2038 0.3640 0.3640 0.4945 0.4945 0.6792 0.6792 1.5938 1.5938 2.2478 2.2478 2.3850 2.3850 2.6049 2.6049 3.1247 3.1247 3.2915 3.2915 4.2747 4.2747 5.0507 5.0507 5.4824 5.4824 7.6614 7.6614 8.0101 8.0101 11.6635 11.6635 k =-0.2368 0.2255 0.8074 ( 5458 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4899 -10.4899 -10.4197 -10.4197 -9.6769 -9.6769 -9.1166 -9.1166 -1.4584 -1.4584 -0.3939 -0.3939 -0.2174 -0.2174 0.3474 0.3474 0.4822 0.4822 0.6768 0.6768 1.6121 1.6121 2.2690 2.2690 2.4123 2.4123 2.6102 2.6102 3.1333 3.1333 3.3140 3.3140 4.2748 4.2748 5.0435 5.0435 5.4640 5.4640 7.6640 7.6640 8.0346 8.0346 11.6180 11.6180 k =-0.2500 0.2381 0.8074 ( 5462 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4911 -10.4911 -10.4181 -10.4181 -9.6745 -9.6745 -9.1185 -9.1185 -1.4656 -1.4656 -0.3959 -0.3959 -0.2302 -0.2302 0.3298 0.3298 0.4691 0.4691 0.6744 0.6744 1.6307 1.6307 2.2904 2.2904 2.4386 2.4386 2.6165 2.6165 3.1430 3.1430 3.3367 3.3367 4.2748 4.2748 5.0359 5.0359 5.4459 5.4459 7.6664 7.6664 8.0595 8.0595 11.5727 11.5727 k =-0.2632 0.2506 0.8074 ( 5466 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4923 -10.4923 -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 0.4550 0.4550 0.6723 0.6723 1.6494 1.6494 2.3116 2.3116 2.4635 2.4635 2.6241 2.6241 3.1537 3.1537 3.3594 3.3594 4.2745 4.2745 5.0280 5.0280 5.4281 5.4281 7.6686 7.6686 8.0848 8.0848 11.5277 11.5277 k =-0.2763 0.2631 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4934 -10.4934 -10.4151 -10.4151 -9.6699 -9.6699 -9.1223 -9.1223 -1.4801 -1.4801 -0.3987 -0.3987 -0.2520 -0.2520 0.2930 0.2930 0.4399 0.4399 0.6703 0.6703 1.6680 1.6680 2.3328 2.3328 2.4864 2.4864 2.6332 2.6332 3.1653 3.1653 3.3820 3.3820 4.2740 4.2740 5.0197 5.0197 5.4108 5.4108 7.6707 7.6707 8.1102 8.1102 11.4835 11.4835 k =-0.2895 0.2757 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4944 -10.4944 -10.4137 -10.4137 -9.6676 -9.6676 -9.1241 -9.1241 -1.4873 -1.4873 -0.4000 -0.4000 -0.2604 -0.2604 0.2741 0.2741 0.4239 0.4239 0.6686 0.6686 1.6865 1.6865 2.3536 2.3536 2.5068 2.5068 2.6444 2.6444 3.1775 3.1775 3.4043 3.4043 4.2733 4.2733 5.0111 5.0111 5.3942 5.3942 7.6726 7.6726 8.1356 8.1356 11.4405 11.4405 k =-0.3026 0.2882 0.8074 ( 5450 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4954 -10.4954 -10.4124 -10.4124 -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 1.7047 1.7047 2.3741 2.3741 2.5242 2.5242 2.6576 2.6576 3.1904 3.1904 3.4261 3.4261 4.2724 4.2724 5.0022 5.0022 5.3784 5.3784 7.6744 7.6744 8.1607 8.1607 11.3988 11.3988 k =-0.3158 0.3007 0.8074 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4963 -10.4963 -10.4112 -10.4112 -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 0.6659 0.6659 1.7225 1.7225 2.3940 2.3940 2.5387 2.5387 2.6730 2.6730 3.2035 3.2035 3.4474 3.4474 4.2713 4.2713 4.9931 4.9931 5.3635 5.3635 7.6760 7.6760 8.1855 8.1855 11.3587 11.3587 k =-0.3289 0.3133 0.8074 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4971 -10.4971 -10.4101 -10.4101 -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 2.4133 2.4133 2.5504 2.5504 2.6901 2.6901 3.2169 3.2169 3.4679 3.4679 4.2700 4.2700 4.9838 4.9838 5.3496 5.3496 7.6774 7.6774 8.2096 8.2096 11.3206 11.3206 k =-0.3421 0.3258 0.8074 ( 5454 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4979 -10.4979 -10.4090 -10.4090 -9.6590 -9.6590 -9.1310 -9.1310 -1.5141 -1.5141 -0.4113 -0.4113 -0.2692 -0.2692 0.1959 0.1959 0.3547 0.3547 0.6639 0.6639 1.7562 1.7562 2.4318 2.4318 2.5597 2.5597 2.7082 2.7082 3.2302 3.2302 3.4875 3.4875 4.2686 4.2686 4.9745 4.9745 5.3367 5.3367 7.6787 7.6787 8.2330 8.2330 11.2846 11.2846 k =-0.3553 0.3383 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4986 -10.4986 -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 0.3375 0.3375 0.6632 0.6632 1.7719 1.7719 2.4494 2.4494 2.5671 2.5671 2.7268 2.7268 3.2433 3.2433 3.5060 3.5060 4.2670 4.2670 4.9653 4.9653 5.3250 5.3250 7.6798 7.6798 8.2553 8.2553 11.2509 11.2509 k =-0.3684 0.3509 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4992 -10.4992 -10.4072 -10.4072 -9.6553 -9.6553 -9.1340 -9.1340 -1.5256 -1.5256 -0.4214 -0.4214 -0.2573 -0.2573 0.1554 0.1554 0.3209 0.3209 0.6627 0.6627 1.7867 1.7867 2.4660 2.4660 2.5732 2.5732 2.7452 2.7452 3.2560 3.2560 3.5234 3.5234 4.2653 4.2653 4.9563 4.9563 5.3144 5.3144 7.6808 7.6808 8.2766 8.2766 11.2196 11.2196 k =-0.3816 0.3634 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.4998 -10.4998 -10.4064 -10.4064 -9.6536 -9.6536 -9.1353 -9.1353 -1.5308 -1.5308 -0.4270 -0.4270 -0.2480 -0.2480 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 4.2636 4.2636 4.9476 4.9476 5.3049 5.3049 7.6816 7.6816 8.2965 8.2965 11.1909 11.1909 k =-0.3947 0.3759 0.8074 ( 5440 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5003 -10.5003 -10.4056 -10.4056 -9.6521 -9.6521 -9.1366 -9.1366 -1.5355 -1.5355 -0.4326 -0.4326 -0.2367 -0.2367 0.1136 0.1136 0.2909 0.2909 0.6619 0.6619 1.8131 1.8131 2.4956 2.4956 2.5822 2.5822 2.7796 2.7796 3.2795 3.2795 3.5542 3.5542 4.2619 4.2619 4.9394 4.9394 5.2966 5.2966 7.6823 7.6823 8.3149 8.3149 11.1650 11.1650 k =-0.4079 0.3884 0.8074 ( 5444 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5007 -10.5007 -10.4050 -10.4050 -9.6507 -9.6507 -9.1377 -9.1377 -1.5397 -1.5397 -0.4379 -0.4379 -0.2240 -0.2240 0.0923 0.0923 0.2780 0.2780 0.6616 0.6616 1.8245 1.8245 2.5085 2.5085 2.5856 2.5856 2.7949 2.7949 3.2899 3.2899 3.5674 3.5674 4.2602 4.2602 4.9318 4.9318 5.2894 5.2894 7.6828 7.6828 8.3315 8.3315 11.1418 11.1418 k =-0.4211 0.4010 0.8074 ( 5444 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5011 -10.5011 -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 1.8345 1.8345 2.5198 2.5198 2.5884 2.5884 2.8085 2.8085 3.2993 3.2993 3.5791 3.5791 4.2586 4.2586 4.9249 4.9249 5.2832 5.2832 7.6832 7.6832 8.3464 8.3464 11.1216 11.1216 k =-0.4342 0.4135 0.8074 ( 5448 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5014 -10.5014 -10.4040 -10.4040 -9.6485 -9.6485 -9.1394 -9.1394 -1.5466 -1.5466 -0.4471 -0.4471 -0.1951 -0.1951 0.0500 0.0500 0.2568 0.2568 0.6613 0.6613 1.8432 1.8432 2.5296 2.5296 2.5907 2.5907 2.8204 2.8204 3.3074 3.3074 3.5890 3.5890 4.2572 4.2572 4.9188 4.9188 5.2781 5.2781 7.6835 7.6835 8.3592 8.3592 11.1044 11.1044 k =-0.4474 0.4260 0.8074 ( 5464 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5017 -10.5017 -10.4036 -10.4036 -9.6476 -9.6476 -9.1401 -9.1401 -1.5492 -1.5492 -0.4508 -0.4508 -0.1799 -0.1799 0.0297 0.0297 0.2488 0.2488 0.6612 0.6612 1.8503 1.8503 2.5377 2.5377 2.5925 2.5925 2.8304 2.8304 3.3143 3.3143 3.5972 3.5972 4.2559 4.2559 4.9137 4.9137 5.2740 5.2740 7.6837 7.6837 8.3698 8.3698 11.0902 11.0902 k =-0.4605 0.4386 0.8074 ( 5460 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5019 -10.5019 -10.4033 -10.4033 -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 2.5441 2.5441 2.5939 2.5939 2.8382 2.8382 3.3197 3.3197 3.6037 3.6037 4.2549 4.2549 4.9096 4.9096 5.2708 5.2708 7.6838 7.6838 8.3783 8.3783 11.0791 11.0791 k =-0.4737 0.4511 0.8074 ( 5452 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4430 -37.4430 -37.2837 -37.2837 -10.5020 -10.5020 -10.4031 -10.4031 -9.6464 -9.6464 -9.1410 -9.1410 -1.5528 -1.5528 -0.4558 -0.4558 -0.1514 -0.1514 -0.0056 -0.0056 0.2381 0.2381 0.6611 0.6611 1.8600 1.8600 2.5486 2.5486 2.5949 2.5949 2.8439 2.8439 3.3236 3.3236 3.6084 3.6084 4.2541 4.2541 4.9067 4.9067 5.2686 5.2686 7.6840 7.6840 8.3844 8.3844 11.0712 11.0712 k =-0.4868 0.4636 0.8074 ( 5456 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2837 -37.2837 -10.5021 -10.5021 -10.4030 -10.4030 -9.6462 -9.6462 -9.1413 -9.1413 -1.5537 -1.5537 -0.4571 -0.4571 -0.1415 -0.1415 -0.0173 -0.0173 0.2354 0.2354 0.6610 0.6610 1.8624 1.8624 2.5514 2.5514 2.5955 2.5955 2.8473 2.8473 3.3260 3.3260 3.6111 3.6111 4.2537 4.2537 4.9049 4.9049 5.2672 5.2672 7.6840 7.6840 8.3881 8.3881 11.0664 11.0664 k =-0.5000 0.4762 0.8074 ( 5468 PWs) bands (ev): -81.1249 -81.1249 -49.5251 -49.5251 -37.4431 -37.4431 -37.2838 -37.2838 -10.5021 -10.5021 -10.4029 -10.4029 -9.6461 -9.6461 -9.1414 -9.1414 -1.5540 -1.5540 -0.4575 -0.4575 -0.1377 -0.1377 -0.0217 -0.0217 0.2345 0.2345 0.6610 0.6610 1.8632 1.8632 2.5523 2.5523 2.5957 2.5957 2.8484 2.8484 3.3268 3.3268 3.6121 3.6121 4.2535 4.2535 4.9043 4.9043 5.2668 5.2668 7.6840 7.6840 8.3893 8.3893 11.0648 11.0648 Writing output data file OsCl4.save init_run : 0.22s CPU 0.38s WALL ( 1 calls) electrons : 166.62s CPU 170.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 166.62s CPU 170.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 402 calls) cegterg : 151.72s CPU 153.65s WALL ( 469 calls) Called by sum_band: Called by *egterg: h_psi : 86.05s CPU 87.52s WALL ( 8361 calls) s_psi : 7.11s CPU 7.50s WALL ( 8361 calls) g_psi : 0.29s CPU 0.32s WALL ( 7490 calls) cdiaghg : 49.47s CPU 49.00s WALL ( 7892 calls) cegterg:over : 7.21s CPU 7.49s WALL ( 7490 calls) cegterg:upda : 5.89s CPU 6.35s WALL ( 7490 calls) cegterg:last : 3.58s CPU 3.75s WALL ( 1273 calls) cdiaghg:chol : 2.64s CPU 2.82s WALL ( 7892 calls) cdiaghg:inve : 1.81s CPU 1.78s WALL ( 7892 calls) cdiaghg:para : 2.57s CPU 2.83s WALL ( 15784 calls) Called by h_psi: h_psi:vloc : 69.58s CPU 71.30s WALL ( 8361 calls) h_psi:vnl : 16.18s CPU 15.92s WALL ( 8361 calls) add_vuspsi : 8.85s CPU 8.61s WALL ( 8361 calls) General routines calbec : 7.30s CPU 7.28s WALL ( 8361 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.19s CPU 67.63s WALL ( 801092 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.38s WALL ( 804 calls) Parallel routines fft_scatter : 26.48s CPU 27.31s WALL ( 801115 calls) PWSCF : 3m 9.24s CPU 3m43.17s WALL This run was terminated on: 17: 4:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=