Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:37: 7 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: ./ScGe.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 32 9 1938 686 112 Max 65 33 11 1941 707 116 Sum 2309 1175 351 69809 25207 4103 bravais-lattice index = 14 lattice parameter (alat) = 10.2491 a.u. unit-cell volume = 512.8385 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.249148 celldm(2)= 1.000000 celldm(3)= 0.693818 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.727083 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.727083 0.686550 0.000000 ) a(3) = ( 0.000000 0.000000 0.693818 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.059039 -0.000000 ) b(2) = ( 0.000000 1.456559 -0.000000 ) b(3) = ( 0.000000 0.000000 1.441301 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Ge 4.00 72.64000 Ge( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 438 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 2) = ( 0.0062936 0.0158322 -0.0000000), wk = 0.0022831 k( 3) = ( 0.0125872 0.0316643 -0.0000000), wk = 0.0022831 k( 4) = ( 0.0188808 0.0474965 -0.0000000), wk = 0.0022831 k( 5) = ( 0.0251744 0.0633286 -0.0000000), wk = 0.0022831 k( 6) = ( 0.0314680 0.0791608 -0.0000000), wk = 0.0022831 k( 7) = ( 0.0377616 0.0949930 -0.0000000), wk = 0.0022831 k( 8) = ( 0.0440552 0.1108251 -0.0000000), wk = 0.0022831 k( 9) = ( 0.0503488 0.1266573 -0.0000000), wk = 0.0022831 k( 10) = ( 0.0566424 0.1424894 -0.0000000), wk = 0.0022831 k( 11) = ( 0.0629360 0.1583216 -0.0000000), wk = 0.0022831 k( 12) = ( 0.0692296 0.1741538 -0.0000000), wk = 0.0022831 k( 13) = ( 0.0755232 0.1899859 -0.0000000), wk = 0.0022831 k( 14) = ( 0.0818168 0.2058181 -0.0000000), wk = 0.0022831 k( 15) = ( 0.0881104 0.2216502 -0.0000000), wk = 0.0022831 k( 16) = ( 0.0944040 0.2374824 -0.0000000), wk = 0.0022831 k( 17) = ( 0.1006976 0.2533146 -0.0000000), wk = 0.0022831 k( 18) = ( 0.1069912 0.2691467 -0.0000000), wk = 0.0022831 k( 19) = ( 0.1132848 0.2849789 -0.0000000), wk = 0.0022831 k( 20) = ( 0.1195784 0.3008110 -0.0000000), wk = 0.0022831 k( 21) = ( 0.1258720 0.3166432 -0.0000000), wk = 0.0022831 k( 22) = ( 0.1321656 0.3324754 -0.0000000), wk = 0.0022831 k( 23) = ( 0.1384592 0.3483075 -0.0000000), wk = 0.0022831 k( 24) = ( 0.1447528 0.3641397 -0.0000000), wk = 0.0022831 k( 25) = ( 0.1510463 0.3799719 -0.0000000), wk = 0.0022831 k( 26) = ( 0.1573400 0.3958040 -0.0000000), wk = 0.0022831 k( 27) = ( 0.1636335 0.4116362 -0.0000000), wk = 0.0022831 k( 28) = ( 0.1699271 0.4274683 -0.0000000), wk = 0.0022831 k( 29) = ( 0.1762207 0.4433005 -0.0000000), wk = 0.0022831 k( 30) = ( 0.1825143 0.4591327 -0.0000000), wk = 0.0022831 k( 31) = ( 0.1888079 0.4749648 -0.0000000), wk = 0.0022831 k( 32) = ( 0.1951015 0.4907970 -0.0000000), wk = 0.0022831 k( 33) = ( 0.2013951 0.5066291 -0.0000000), wk = 0.0022831 k( 34) = ( 0.2076887 0.5224613 -0.0000000), wk = 0.0022831 k( 35) = ( 0.2139823 0.5382935 -0.0000000), wk = 0.0022831 k( 36) = ( 0.2202759 0.5541256 -0.0000000), wk = 0.0022831 k( 37) = ( 0.2265695 0.5699578 -0.0000000), wk = 0.0022831 k( 38) = ( 0.2328631 0.5857899 -0.0000000), wk = 0.0022831 k( 39) = ( 0.2391567 0.6016221 -0.0000000), wk = 0.0022831 k( 40) = ( 0.2454503 0.6174543 -0.0000000), wk = 0.0022831 k( 41) = ( 0.2517439 0.6332864 -0.0000000), wk = 0.0022831 k( 42) = ( 0.2580375 0.6491186 -0.0000000), wk = 0.0022831 k( 43) = ( 0.2643311 0.6649507 -0.0000000), wk = 0.0022831 k( 44) = ( 0.2706247 0.6807829 -0.0000000), wk = 0.0022831 k( 45) = ( 0.2769183 0.6966151 -0.0000000), wk = 0.0022831 k( 46) = ( 0.2832119 0.7124472 -0.0000000), wk = 0.0022831 k( 47) = ( 0.2895055 0.7282794 -0.0000000), wk = 0.0022831 k( 48) = ( 0.2895055 0.7282794 -0.0000000), wk = 0.0022831 k( 49) = ( 0.2724758 0.7282794 -0.0000000), wk = 0.0022831 k( 50) = ( 0.2554460 0.7282794 -0.0000000), wk = 0.0022831 k( 51) = ( 0.2384163 0.7282794 -0.0000000), wk = 0.0022831 k( 52) = ( 0.2213866 0.7282794 -0.0000000), wk = 0.0022831 k( 53) = ( 0.2043568 0.7282794 -0.0000000), wk = 0.0022831 k( 54) = ( 0.1873271 0.7282794 -0.0000000), wk = 0.0022831 k( 55) = ( 0.1702974 0.7282794 -0.0000000), wk = 0.0022831 k( 56) = ( 0.1532676 0.7282794 -0.0000000), wk = 0.0022831 k( 57) = ( 0.1362379 0.7282794 -0.0000000), wk = 0.0022831 k( 58) = ( 0.1192081 0.7282794 -0.0000000), wk = 0.0022831 k( 59) = ( 0.1021784 0.7282794 -0.0000000), wk = 0.0022831 k( 60) = ( 0.0851487 0.7282794 -0.0000000), wk = 0.0022831 k( 61) = ( 0.0681189 0.7282794 -0.0000000), wk = 0.0022831 k( 62) = ( 0.0510892 0.7282794 -0.0000000), wk = 0.0022831 k( 63) = ( 0.0340595 0.7282794 -0.0000000), wk = 0.0022831 k( 64) = ( 0.0170297 0.7282794 -0.0000000), wk = 0.0022831 k( 65) = ( 0.0000000 0.7282794 -0.0000000), wk = 0.0022831 k( 66) = ( 0.0000000 0.7282794 -0.0000000), wk = 0.0022831 k( 67) = ( 0.0000000 0.7282794 0.0171583), wk = 0.0022831 k( 68) = ( 0.0000000 0.7282794 0.0343167), wk = 0.0022831 k( 69) = ( 0.0000000 0.7282794 0.0514750), wk = 0.0022831 k( 70) = ( 0.0000000 0.7282794 0.0686334), wk = 0.0022831 k( 71) = ( 0.0000000 0.7282794 0.0857917), wk = 0.0022831 k( 72) = ( 0.0000000 0.7282794 0.1029501), wk = 0.0022831 k( 73) = ( 0.0000000 0.7282794 0.1201084), wk = 0.0022831 k( 74) = ( 0.0000000 0.7282794 0.1372668), wk = 0.0022831 k( 75) = ( 0.0000000 0.7282794 0.1544251), wk = 0.0022831 k( 76) = ( 0.0000000 0.7282794 0.1715835), wk = 0.0022831 k( 77) = ( 0.0000000 0.7282794 0.1887418), wk = 0.0022831 k( 78) = ( 0.0000000 0.7282794 0.2059002), wk = 0.0022831 k( 79) = ( 0.0000000 0.7282794 0.2230585), wk = 0.0022831 k( 80) = ( 0.0000000 0.7282794 0.2402169), wk = 0.0022831 k( 81) = ( 0.0000000 0.7282794 0.2573752), wk = 0.0022831 k( 82) = ( 0.0000000 0.7282794 0.2745335), wk = 0.0022831 k( 83) = ( 0.0000000 0.7282794 0.2916919), wk = 0.0022831 k( 84) = ( 0.0000000 0.7282794 0.3088502), wk = 0.0022831 k( 85) = ( 0.0000000 0.7282794 0.3260086), wk = 0.0022831 k( 86) = ( 0.0000000 0.7282794 0.3431669), wk = 0.0022831 k( 87) = ( 0.0000000 0.7282794 0.3603253), wk = 0.0022831 k( 88) = ( 0.0000000 0.7282794 0.3774836), wk = 0.0022831 k( 89) = ( 0.0000000 0.7282794 0.3946420), wk = 0.0022831 k( 90) = ( 0.0000000 0.7282794 0.4118003), wk = 0.0022831 k( 91) = ( 0.0000000 0.7282794 0.4289587), wk = 0.0022831 k( 92) = ( 0.0000000 0.7282794 0.4461170), wk = 0.0022831 k( 93) = ( 0.0000000 0.7282794 0.4632754), wk = 0.0022831 k( 94) = ( 0.0000000 0.7282794 0.4804337), wk = 0.0022831 k( 95) = ( 0.0000000 0.7282794 0.4975921), wk = 0.0022831 k( 96) = ( 0.0000000 0.7282794 0.5147504), wk = 0.0022831 k( 97) = ( 0.0000000 0.7282794 0.5319088), wk = 0.0022831 k( 98) = ( 0.0000000 0.7282794 0.5490671), wk = 0.0022831 k( 99) = ( 0.0000000 0.7282794 0.5662254), wk = 0.0022831 k( 100) = ( 0.0000000 0.7282794 0.5833838), wk = 0.0022831 k( 101) = ( 0.0000000 0.7282794 0.6005421), wk = 0.0022831 k( 102) = ( 0.0000000 0.7282794 0.6177005), wk = 0.0022831 k( 103) = ( 0.0000000 0.7282794 0.6348588), wk = 0.0022831 k( 104) = ( 0.0000000 0.7282794 0.6520172), wk = 0.0022831 k( 105) = ( 0.0000000 0.7282794 0.6691755), wk = 0.0022831 k( 106) = ( 0.0000000 0.7282794 0.6863339), wk = 0.0022831 k( 107) = ( 0.0000000 0.7282794 0.7034922), wk = 0.0022831 k( 108) = ( 0.0000000 0.7282794 0.7206506), wk = 0.0022831 k( 109) = ( 0.0000000 0.7282794 0.7206506), wk = 0.0022831 k( 110) = ( 0.0170297 0.7282794 0.7206506), wk = 0.0022831 k( 111) = ( 0.0340595 0.7282794 0.7206506), wk = 0.0022831 k( 112) = ( 0.0510892 0.7282794 0.7206506), wk = 0.0022831 k( 113) = ( 0.0681189 0.7282794 0.7206506), wk = 0.0022831 k( 114) = ( 0.0851487 0.7282794 0.7206506), wk = 0.0022831 k( 115) = ( 0.1021784 0.7282794 0.7206506), wk = 0.0022831 k( 116) = ( 0.1192081 0.7282794 0.7206506), wk = 0.0022831 k( 117) = ( 0.1362379 0.7282794 0.7206506), wk = 0.0022831 k( 118) = ( 0.1532676 0.7282794 0.7206506), wk = 0.0022831 k( 119) = ( 0.1702974 0.7282794 0.7206506), wk = 0.0022831 k( 120) = ( 0.1873271 0.7282794 0.7206506), wk = 0.0022831 k( 121) = ( 0.2043568 0.7282794 0.7206506), wk = 0.0022831 k( 122) = ( 0.2213866 0.7282794 0.7206506), wk = 0.0022831 k( 123) = ( 0.2384163 0.7282794 0.7206506), wk = 0.0022831 k( 124) = ( 0.2554460 0.7282794 0.7206506), wk = 0.0022831 k( 125) = ( 0.2724758 0.7282794 0.7206506), wk = 0.0022831 k( 126) = ( 0.2895055 0.7282794 0.7206506), wk = 0.0022831 k( 127) = ( 0.2895055 0.7282794 0.7206506), wk = 0.0022831 k( 128) = ( 0.2832119 0.7124472 0.7206506), wk = 0.0022831 k( 129) = ( 0.2769183 0.6966151 0.7206506), wk = 0.0022831 k( 130) = ( 0.2706247 0.6807829 0.7206506), wk = 0.0022831 k( 131) = ( 0.2643311 0.6649507 0.7206506), wk = 0.0022831 k( 132) = ( 0.2580375 0.6491186 0.7206506), wk = 0.0022831 k( 133) = ( 0.2517439 0.6332864 0.7206506), wk = 0.0022831 k( 134) = ( 0.2454503 0.6174543 0.7206506), wk = 0.0022831 k( 135) = ( 0.2391567 0.6016221 0.7206506), wk = 0.0022831 k( 136) = ( 0.2328631 0.5857899 0.7206506), wk = 0.0022831 k( 137) = ( 0.2265695 0.5699578 0.7206506), wk = 0.0022831 k( 138) = ( 0.2202759 0.5541256 0.7206506), wk = 0.0022831 k( 139) = ( 0.2139823 0.5382935 0.7206506), wk = 0.0022831 k( 140) = ( 0.2076887 0.5224613 0.7206506), wk = 0.0022831 k( 141) = ( 0.2013951 0.5066291 0.7206506), wk = 0.0022831 k( 142) = ( 0.1951015 0.4907970 0.7206506), wk = 0.0022831 k( 143) = ( 0.1888079 0.4749648 0.7206506), wk = 0.0022831 k( 144) = ( 0.1825143 0.4591327 0.7206506), wk = 0.0022831 k( 145) = ( 0.1762207 0.4433005 0.7206506), wk = 0.0022831 k( 146) = ( 0.1699271 0.4274683 0.7206506), wk = 0.0022831 k( 147) = ( 0.1636335 0.4116362 0.7206506), wk = 0.0022831 k( 148) = ( 0.1573400 0.3958040 0.7206506), wk = 0.0022831 k( 149) = ( 0.1510463 0.3799719 0.7206506), wk = 0.0022831 k( 150) = ( 0.1447528 0.3641397 0.7206506), wk = 0.0022831 k( 151) = ( 0.1384592 0.3483075 0.7206506), wk = 0.0022831 k( 152) = ( 0.1321656 0.3324754 0.7206506), wk = 0.0022831 k( 153) = ( 0.1258720 0.3166432 0.7206506), wk = 0.0022831 k( 154) = ( 0.1195784 0.3008110 0.7206506), wk = 0.0022831 k( 155) = ( 0.1132848 0.2849789 0.7206506), wk = 0.0022831 k( 156) = ( 0.1069912 0.2691467 0.7206506), wk = 0.0022831 k( 157) = ( 0.1006976 0.2533146 0.7206506), wk = 0.0022831 k( 158) = ( 0.0944040 0.2374824 0.7206506), wk = 0.0022831 k( 159) = ( 0.0881104 0.2216502 0.7206506), wk = 0.0022831 k( 160) = ( 0.0818168 0.2058181 0.7206506), wk = 0.0022831 k( 161) = ( 0.0755232 0.1899859 0.7206506), wk = 0.0022831 k( 162) = ( 0.0692296 0.1741538 0.7206506), wk = 0.0022831 k( 163) = ( 0.0629360 0.1583216 0.7206506), wk = 0.0022831 k( 164) = ( 0.0566424 0.1424894 0.7206506), wk = 0.0022831 k( 165) = ( 0.0503488 0.1266573 0.7206506), wk = 0.0022831 k( 166) = ( 0.0440552 0.1108251 0.7206506), wk = 0.0022831 k( 167) = ( 0.0377616 0.0949930 0.7206506), wk = 0.0022831 k( 168) = ( 0.0314680 0.0791608 0.7206506), wk = 0.0022831 k( 169) = ( 0.0251744 0.0633286 0.7206506), wk = 0.0022831 k( 170) = ( 0.0188808 0.0474965 0.7206506), wk = 0.0022831 k( 171) = ( 0.0125872 0.0316643 0.7206506), wk = 0.0022831 k( 172) = ( 0.0062936 0.0158322 0.7206506), wk = 0.0022831 k( 173) = ( 0.0000000 0.0000000 0.7206506), wk = 0.0022831 k( 174) = ( 0.0000000 0.0000000 0.7206506), wk = 0.0022831 k( 175) = ( 0.0000000 0.0000000 0.7034922), wk = 0.0022831 k( 176) = ( 0.0000000 0.0000000 0.6863339), wk = 0.0022831 k( 177) = ( 0.0000000 0.0000000 0.6691755), wk = 0.0022831 k( 178) = ( 0.0000000 0.0000000 0.6520172), wk = 0.0022831 k( 179) = ( 0.0000000 0.0000000 0.6348588), wk = 0.0022831 k( 180) = ( 0.0000000 0.0000000 0.6177005), wk = 0.0022831 k( 181) = ( 0.0000000 0.0000000 0.6005421), wk = 0.0022831 k( 182) = ( 0.0000000 0.0000000 0.5833838), wk = 0.0022831 k( 183) = ( 0.0000000 0.0000000 0.5662254), wk = 0.0022831 k( 184) = ( 0.0000000 0.0000000 0.5490671), wk = 0.0022831 k( 185) = ( 0.0000000 0.0000000 0.5319088), wk = 0.0022831 k( 186) = ( 0.0000000 0.0000000 0.5147504), wk = 0.0022831 k( 187) = ( 0.0000000 0.0000000 0.4975921), wk = 0.0022831 k( 188) = ( 0.0000000 0.0000000 0.4804337), wk = 0.0022831 k( 189) = ( 0.0000000 0.0000000 0.4632754), wk = 0.0022831 k( 190) = ( 0.0000000 0.0000000 0.4461170), wk = 0.0022831 k( 191) = ( 0.0000000 0.0000000 0.4289587), wk = 0.0022831 k( 192) = ( 0.0000000 0.0000000 0.4118003), wk = 0.0022831 k( 193) = ( 0.0000000 0.0000000 0.3946420), wk = 0.0022831 k( 194) = ( 0.0000000 0.0000000 0.3774836), wk = 0.0022831 k( 195) = ( 0.0000000 0.0000000 0.3603253), wk = 0.0022831 k( 196) = ( 0.0000000 0.0000000 0.3431669), wk = 0.0022831 k( 197) = ( 0.0000000 0.0000000 0.3260086), wk = 0.0022831 k( 198) = ( 0.0000000 0.0000000 0.3088502), wk = 0.0022831 k( 199) = ( 0.0000000 0.0000000 0.2916919), wk = 0.0022831 k( 200) = ( 0.0000000 0.0000000 0.2745335), wk = 0.0022831 k( 201) = ( 0.0000000 0.0000000 0.2573752), wk = 0.0022831 k( 202) = ( 0.0000000 0.0000000 0.2402169), wk = 0.0022831 k( 203) = ( 0.0000000 0.0000000 0.2230585), wk = 0.0022831 k( 204) = ( 0.0000000 0.0000000 0.2059002), wk = 0.0022831 k( 205) = ( 0.0000000 0.0000000 0.1887418), wk = 0.0022831 k( 206) = ( 0.0000000 0.0000000 0.1715835), wk = 0.0022831 k( 207) = ( 0.0000000 0.0000000 0.1544251), wk = 0.0022831 k( 208) = ( 0.0000000 0.0000000 0.1372668), wk = 0.0022831 k( 209) = ( 0.0000000 0.0000000 0.1201084), wk = 0.0022831 k( 210) = ( 0.0000000 0.0000000 0.1029501), wk = 0.0022831 k( 211) = ( 0.0000000 0.0000000 0.0857917), wk = 0.0022831 k( 212) = ( 0.0000000 0.0000000 0.0686334), wk = 0.0022831 k( 213) = ( 0.0000000 0.0000000 0.0514750), wk = 0.0022831 k( 214) = ( 0.0000000 0.0000000 0.0343167), wk = 0.0022831 k( 215) = ( 0.0000000 0.0000000 0.0171583), wk = 0.0022831 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 218) = ( -0.0156250 0.0062112 0.0000000), wk = 0.0022831 k( 219) = ( -0.0312500 0.0124225 0.0000000), wk = 0.0022831 k( 220) = ( -0.0468750 0.0186337 -0.0000000), wk = 0.0022831 k( 221) = ( -0.0625000 0.0248450 0.0000000), wk = 0.0022831 k( 222) = ( -0.0781250 0.0310562 0.0000000), wk = 0.0022831 k( 223) = ( -0.0937500 0.0372675 -0.0000000), wk = 0.0022831 k( 224) = ( -0.1093750 0.0434787 0.0000000), wk = 0.0022831 k( 225) = ( -0.1250000 0.0496900 0.0000000), wk = 0.0022831 k( 226) = ( -0.1406250 0.0559012 -0.0000000), wk = 0.0022831 k( 227) = ( -0.1562500 0.0621125 0.0000000), wk = 0.0022831 k( 228) = ( -0.1718750 0.0683237 0.0000000), wk = 0.0022831 k( 229) = ( -0.1875000 0.0745350 -0.0000000), wk = 0.0022831 k( 230) = ( -0.2031250 0.0807462 0.0000000), wk = 0.0022831 k( 231) = ( -0.2187500 0.0869575 0.0000000), wk = 0.0022831 k( 232) = ( -0.2343750 0.0931687 -0.0000000), wk = 0.0022831 k( 233) = ( -0.2500000 0.0993800 0.0000000), wk = 0.0022831 k( 234) = ( -0.2656250 0.1055912 0.0000000), wk = 0.0022831 k( 235) = ( -0.2812500 0.1118025 -0.0000000), wk = 0.0022831 k( 236) = ( -0.2968750 0.1180137 -0.0000000), wk = 0.0022831 k( 237) = ( -0.3125000 0.1242250 0.0000000), wk = 0.0022831 k( 238) = ( -0.3281250 0.1304362 0.0000000), wk = 0.0022831 k( 239) = ( -0.3437500 0.1366474 0.0000000), wk = 0.0022831 k( 240) = ( -0.3593750 0.1428587 -0.0000000), wk = 0.0022831 k( 241) = ( -0.3750000 0.1490699 -0.0000000), wk = 0.0022831 k( 242) = ( -0.3906250 0.1552812 -0.0000000), wk = 0.0022831 k( 243) = ( -0.4062500 0.1614924 0.0000000), wk = 0.0022831 k( 244) = ( -0.4218750 0.1677037 0.0000000), wk = 0.0022831 k( 245) = ( -0.4375000 0.1739149 0.0000000), wk = 0.0022831 k( 246) = ( -0.4531250 0.1801262 -0.0000000), wk = 0.0022831 k( 247) = ( -0.4687500 0.1863374 -0.0000000), wk = 0.0022831 k( 248) = ( -0.4843750 0.1925487 -0.0000000), wk = 0.0022831 k( 249) = ( -0.5000000 0.1987599 0.0000000), wk = 0.0022831 k( 250) = ( -0.5000000 0.1987599 0.0000000), wk = 0.0022831 k( 251) = ( -0.4938090 0.2143340 -0.0000000), wk = 0.0022831 k( 252) = ( -0.4876180 0.2299081 -0.0000000), wk = 0.0022831 k( 253) = ( -0.4814270 0.2454822 -0.0000000), wk = 0.0022831 k( 254) = ( -0.4752359 0.2610563 -0.0000000), wk = 0.0022831 k( 255) = ( -0.4690449 0.2766304 -0.0000000), wk = 0.0022831 k( 256) = ( -0.4628539 0.2922045 -0.0000000), wk = 0.0022831 k( 257) = ( -0.4566629 0.3077786 -0.0000000), wk = 0.0022831 k( 258) = ( -0.4504719 0.3233527 -0.0000000), wk = 0.0022831 k( 259) = ( -0.4442809 0.3389268 -0.0000000), wk = 0.0022831 k( 260) = ( -0.4380899 0.3545010 -0.0000000), wk = 0.0022831 k( 261) = ( -0.4318988 0.3700750 -0.0000000), wk = 0.0022831 k( 262) = ( -0.4257078 0.3856491 -0.0000000), wk = 0.0022831 k( 263) = ( -0.4195168 0.4012232 -0.0000000), wk = 0.0022831 k( 264) = ( -0.4133258 0.4167973 -0.0000000), wk = 0.0022831 k( 265) = ( -0.4071348 0.4323715 -0.0000000), wk = 0.0022831 k( 266) = ( -0.4009438 0.4479455 -0.0000000), wk = 0.0022831 k( 267) = ( -0.3947527 0.4635197 -0.0000000), wk = 0.0022831 k( 268) = ( -0.3885617 0.4790938 -0.0000000), wk = 0.0022831 k( 269) = ( -0.3823707 0.4946679 -0.0000000), wk = 0.0022831 k( 270) = ( -0.3761797 0.5102420 -0.0000000), wk = 0.0022831 k( 271) = ( -0.3699887 0.5258161 -0.0000000), wk = 0.0022831 k( 272) = ( -0.3637977 0.5413902 -0.0000000), wk = 0.0022831 k( 273) = ( -0.3576067 0.5569643 -0.0000000), wk = 0.0022831 k( 274) = ( -0.3514157 0.5725384 -0.0000000), wk = 0.0022831 k( 275) = ( -0.3452246 0.5881125 -0.0000000), wk = 0.0022831 k( 276) = ( -0.3390336 0.6036866 -0.0000000), wk = 0.0022831 k( 277) = ( -0.3328426 0.6192607 -0.0000000), wk = 0.0022831 k( 278) = ( -0.3266516 0.6348348 -0.0000000), wk = 0.0022831 k( 279) = ( -0.3204606 0.6504089 -0.0000000), wk = 0.0022831 k( 280) = ( -0.3142696 0.6659830 -0.0000000), wk = 0.0022831 k( 281) = ( -0.3080786 0.6815571 -0.0000000), wk = 0.0022831 k( 282) = ( -0.3018875 0.6971312 -0.0000000), wk = 0.0022831 k( 283) = ( -0.2956965 0.7127053 -0.0000000), wk = 0.0022831 k( 284) = ( -0.2895055 0.7282794 -0.0000000), wk = 0.0022831 k( 285) = ( -0.2895055 0.7282794 -0.0000000), wk = 0.0022831 k( 286) = ( -0.2895055 0.7282794 0.0171583), wk = 0.0022831 k( 287) = ( -0.2895055 0.7282794 0.0343167), wk = 0.0022831 k( 288) = ( -0.2895055 0.7282794 0.0514750), wk = 0.0022831 k( 289) = ( -0.2895055 0.7282794 0.0686334), wk = 0.0022831 k( 290) = ( -0.2895055 0.7282794 0.0857917), wk = 0.0022831 k( 291) = ( -0.2895055 0.7282794 0.1029501), wk = 0.0022831 k( 292) = ( -0.2895055 0.7282794 0.1201084), wk = 0.0022831 k( 293) = ( -0.2895055 0.7282794 0.1372668), wk = 0.0022831 k( 294) = ( -0.2895055 0.7282794 0.1544251), wk = 0.0022831 k( 295) = ( -0.2895055 0.7282794 0.1715835), wk = 0.0022831 k( 296) = ( -0.2895055 0.7282794 0.1887418), wk = 0.0022831 k( 297) = ( -0.2895055 0.7282794 0.2059002), wk = 0.0022831 k( 298) = ( -0.2895055 0.7282794 0.2230585), wk = 0.0022831 k( 299) = ( -0.2895055 0.7282794 0.2402169), wk = 0.0022831 k( 300) = ( -0.2895055 0.7282794 0.2573752), wk = 0.0022831 k( 301) = ( -0.2895055 0.7282794 0.2745335), wk = 0.0022831 k( 302) = ( -0.2895055 0.7282794 0.2916919), wk = 0.0022831 k( 303) = ( -0.2895055 0.7282794 0.3088502), wk = 0.0022831 k( 304) = ( -0.2895055 0.7282794 0.3260086), wk = 0.0022831 k( 305) = ( -0.2895055 0.7282794 0.3431669), wk = 0.0022831 k( 306) = ( -0.2895055 0.7282794 0.3603253), wk = 0.0022831 k( 307) = ( -0.2895055 0.7282794 0.3774836), wk = 0.0022831 k( 308) = ( -0.2895055 0.7282794 0.3946420), wk = 0.0022831 k( 309) = ( -0.2895055 0.7282794 0.4118003), wk = 0.0022831 k( 310) = ( -0.2895055 0.7282794 0.4289587), wk = 0.0022831 k( 311) = ( -0.2895055 0.7282794 0.4461170), wk = 0.0022831 k( 312) = ( -0.2895055 0.7282794 0.4632754), wk = 0.0022831 k( 313) = ( -0.2895055 0.7282794 0.4804337), wk = 0.0022831 k( 314) = ( -0.2895055 0.7282794 0.4975921), wk = 0.0022831 k( 315) = ( -0.2895055 0.7282794 0.5147504), wk = 0.0022831 k( 316) = ( -0.2895055 0.7282794 0.5319088), wk = 0.0022831 k( 317) = ( -0.2895055 0.7282794 0.5490671), wk = 0.0022831 k( 318) = ( -0.2895055 0.7282794 0.5662254), wk = 0.0022831 k( 319) = ( -0.2895055 0.7282794 0.5833838), wk = 0.0022831 k( 320) = ( -0.2895055 0.7282794 0.6005421), wk = 0.0022831 k( 321) = ( -0.2895055 0.7282794 0.6177005), wk = 0.0022831 k( 322) = ( -0.2895055 0.7282794 0.6348588), wk = 0.0022831 k( 323) = ( -0.2895055 0.7282794 0.6520172), wk = 0.0022831 k( 324) = ( -0.2895055 0.7282794 0.6691755), wk = 0.0022831 k( 325) = ( -0.2895055 0.7282794 0.6863339), wk = 0.0022831 k( 326) = ( -0.2895055 0.7282794 0.7034922), wk = 0.0022831 k( 327) = ( -0.2895055 0.7282794 0.7206506), wk = 0.0022831 k( 328) = ( -0.2895055 0.7282794 0.7206506), wk = 0.0022831 k( 329) = ( -0.2956965 0.7127053 0.7206506), wk = 0.0022831 k( 330) = ( -0.3018875 0.6971312 0.7206506), wk = 0.0022831 k( 331) = ( -0.3080786 0.6815571 0.7206506), wk = 0.0022831 k( 332) = ( -0.3142696 0.6659830 0.7206506), wk = 0.0022831 k( 333) = ( -0.3204606 0.6504089 0.7206506), wk = 0.0022831 k( 334) = ( -0.3266516 0.6348348 0.7206506), wk = 0.0022831 k( 335) = ( -0.3328426 0.6192607 0.7206506), wk = 0.0022831 k( 336) = ( -0.3390336 0.6036866 0.7206506), wk = 0.0022831 k( 337) = ( -0.3452246 0.5881125 0.7206506), wk = 0.0022831 k( 338) = ( -0.3514157 0.5725384 0.7206506), wk = 0.0022831 k( 339) = ( -0.3576067 0.5569643 0.7206506), wk = 0.0022831 k( 340) = ( -0.3637977 0.5413902 0.7206506), wk = 0.0022831 k( 341) = ( -0.3699887 0.5258161 0.7206506), wk = 0.0022831 k( 342) = ( -0.3761797 0.5102420 0.7206506), wk = 0.0022831 k( 343) = ( -0.3823707 0.4946679 0.7206506), wk = 0.0022831 k( 344) = ( -0.3885617 0.4790938 0.7206506), wk = 0.0022831 k( 345) = ( -0.3947527 0.4635197 0.7206506), wk = 0.0022831 k( 346) = ( -0.4009438 0.4479455 0.7206506), wk = 0.0022831 k( 347) = ( -0.4071348 0.4323715 0.7206506), wk = 0.0022831 k( 348) = ( -0.4133258 0.4167973 0.7206506), wk = 0.0022831 k( 349) = ( -0.4195168 0.4012232 0.7206506), wk = 0.0022831 k( 350) = ( -0.4257078 0.3856491 0.7206506), wk = 0.0022831 k( 351) = ( -0.4318988 0.3700750 0.7206506), wk = 0.0022831 k( 352) = ( -0.4380899 0.3545010 0.7206506), wk = 0.0022831 k( 353) = ( -0.4442809 0.3389268 0.7206506), wk = 0.0022831 k( 354) = ( -0.4504719 0.3233527 0.7206506), wk = 0.0022831 k( 355) = ( -0.4566629 0.3077786 0.7206506), wk = 0.0022831 k( 356) = ( -0.4628539 0.2922045 0.7206506), wk = 0.0022831 k( 357) = ( -0.4690449 0.2766304 0.7206506), wk = 0.0022831 k( 358) = ( -0.4752359 0.2610563 0.7206506), wk = 0.0022831 k( 359) = ( -0.4814270 0.2454822 0.7206506), wk = 0.0022831 k( 360) = ( -0.4876180 0.2299081 0.7206506), wk = 0.0022831 k( 361) = ( -0.4938090 0.2143340 0.7206506), wk = 0.0022831 k( 362) = ( -0.5000000 0.1987599 0.7206506), wk = 0.0022831 k( 363) = ( -0.5000000 0.1987599 0.7206506), wk = 0.0022831 k( 364) = ( -0.5000000 0.1987599 0.7034922), wk = 0.0022831 k( 365) = ( -0.5000000 0.1987599 0.6863339), wk = 0.0022831 k( 366) = ( -0.5000000 0.1987599 0.6691755), wk = 0.0022831 k( 367) = ( -0.5000000 0.1987599 0.6520172), wk = 0.0022831 k( 368) = ( -0.5000000 0.1987599 0.6348588), wk = 0.0022831 k( 369) = ( -0.5000000 0.1987599 0.6177005), wk = 0.0022831 k( 370) = ( -0.5000000 0.1987599 0.6005421), wk = 0.0022831 k( 371) = ( -0.5000000 0.1987599 0.5833838), wk = 0.0022831 k( 372) = ( -0.5000000 0.1987599 0.5662254), wk = 0.0022831 k( 373) = ( -0.5000000 0.1987599 0.5490671), wk = 0.0022831 k( 374) = ( -0.5000000 0.1987599 0.5319088), wk = 0.0022831 k( 375) = ( -0.5000000 0.1987599 0.5147504), wk = 0.0022831 k( 376) = ( -0.5000000 0.1987599 0.4975921), wk = 0.0022831 k( 377) = ( -0.5000000 0.1987599 0.4804337), wk = 0.0022831 k( 378) = ( -0.5000000 0.1987599 0.4632754), wk = 0.0022831 k( 379) = ( -0.5000000 0.1987599 0.4461170), wk = 0.0022831 k( 380) = ( -0.5000000 0.1987599 0.4289587), wk = 0.0022831 k( 381) = ( -0.5000000 0.1987599 0.4118003), wk = 0.0022831 k( 382) = ( -0.5000000 0.1987599 0.3946420), wk = 0.0022831 k( 383) = ( -0.5000000 0.1987599 0.3774836), wk = 0.0022831 k( 384) = ( -0.5000000 0.1987599 0.3603253), wk = 0.0022831 k( 385) = ( -0.5000000 0.1987599 0.3431669), wk = 0.0022831 k( 386) = ( -0.5000000 0.1987599 0.3260086), wk = 0.0022831 k( 387) = ( -0.5000000 0.1987599 0.3088502), wk = 0.0022831 k( 388) = ( -0.5000000 0.1987599 0.2916919), wk = 0.0022831 k( 389) = ( -0.5000000 0.1987599 0.2745335), wk = 0.0022831 k( 390) = ( -0.5000000 0.1987599 0.2573752), wk = 0.0022831 k( 391) = ( -0.5000000 0.1987599 0.2402169), wk = 0.0022831 k( 392) = ( -0.5000000 0.1987599 0.2230585), wk = 0.0022831 k( 393) = ( -0.5000000 0.1987599 0.2059002), wk = 0.0022831 k( 394) = ( -0.5000000 0.1987599 0.1887418), wk = 0.0022831 k( 395) = ( -0.5000000 0.1987599 0.1715835), wk = 0.0022831 k( 396) = ( -0.5000000 0.1987599 0.1544251), wk = 0.0022831 k( 397) = ( -0.5000000 0.1987599 0.1372668), wk = 0.0022831 k( 398) = ( -0.5000000 0.1987599 0.1201084), wk = 0.0022831 k( 399) = ( -0.5000000 0.1987599 0.1029501), wk = 0.0022831 k( 400) = ( -0.5000000 0.1987599 0.0857917), wk = 0.0022831 k( 401) = ( -0.5000000 0.1987599 0.0686334), wk = 0.0022831 k( 402) = ( -0.5000000 0.1987599 0.0514750), wk = 0.0022831 k( 403) = ( -0.5000000 0.1987599 0.0343167), wk = 0.0022831 k( 404) = ( -0.5000000 0.1987599 0.0171583), wk = 0.0022831 k( 405) = ( -0.5000000 0.1987599 0.0000000), wk = 0.0022831 k( 406) = ( 0.0000000 0.0000000 0.7206506), wk = 0.0022831 k( 407) = ( -0.0156250 0.0062112 0.7206506), wk = 0.0022831 k( 408) = ( -0.0312500 0.0124225 0.7206506), wk = 0.0022831 k( 409) = ( -0.0468750 0.0186337 0.7206506), wk = 0.0022831 k( 410) = ( -0.0625000 0.0248450 0.7206506), wk = 0.0022831 k( 411) = ( -0.0781250 0.0310562 0.7206506), wk = 0.0022831 k( 412) = ( -0.0937500 0.0372675 0.7206506), wk = 0.0022831 k( 413) = ( -0.1093750 0.0434787 0.7206506), wk = 0.0022831 k( 414) = ( -0.1250000 0.0496900 0.7206506), wk = 0.0022831 k( 415) = ( -0.1406250 0.0559012 0.7206506), wk = 0.0022831 k( 416) = ( -0.1562500 0.0621125 0.7206506), wk = 0.0022831 k( 417) = ( -0.1718750 0.0683237 0.7206506), wk = 0.0022831 k( 418) = ( -0.1875000 0.0745350 0.7206506), wk = 0.0022831 k( 419) = ( -0.2031250 0.0807462 0.7206506), wk = 0.0022831 k( 420) = ( -0.2187500 0.0869575 0.7206506), wk = 0.0022831 k( 421) = ( -0.2343750 0.0931687 0.7206506), wk = 0.0022831 k( 422) = ( -0.2500000 0.0993800 0.7206506), wk = 0.0022831 k( 423) = ( -0.2656250 0.1055912 0.7206506), wk = 0.0022831 k( 424) = ( -0.2812500 0.1118025 0.7206506), wk = 0.0022831 k( 425) = ( -0.2968750 0.1180137 0.7206506), wk = 0.0022831 k( 426) = ( -0.3125000 0.1242250 0.7206506), wk = 0.0022831 k( 427) = ( -0.3281250 0.1304362 0.7206506), wk = 0.0022831 k( 428) = ( -0.3437500 0.1366474 0.7206506), wk = 0.0022831 k( 429) = ( -0.3593750 0.1428587 0.7206506), wk = 0.0022831 k( 430) = ( -0.3750000 0.1490699 0.7206506), wk = 0.0022831 k( 431) = ( -0.3906250 0.1552812 0.7206506), wk = 0.0022831 k( 432) = ( -0.4062500 0.1614924 0.7206506), wk = 0.0022831 k( 433) = ( -0.4218750 0.1677037 0.7206506), wk = 0.0022831 k( 434) = ( -0.4375000 0.1739149 0.7206506), wk = 0.0022831 k( 435) = ( -0.4531250 0.1801262 0.7206506), wk = 0.0022831 k( 436) = ( -0.4687500 0.1863374 0.7206506), wk = 0.0022831 k( 437) = ( -0.4843750 0.1925487 0.7206506), wk = 0.0022831 k( 438) = ( -0.5000000 0.1987599 0.7206506), wk = 0.0022831 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 2) = ( 0.0062936 0.0062936 -0.0000000), wk = 0.0022831 k( 3) = ( 0.0125872 0.0125872 -0.0000000), wk = 0.0022831 k( 4) = ( 0.0188808 0.0188808 0.0000000), wk = 0.0022831 k( 5) = ( 0.0251744 0.0251744 -0.0000000), wk = 0.0022831 k( 6) = ( 0.0314680 0.0314680 0.0000000), wk = 0.0022831 k( 7) = ( 0.0377616 0.0377616 0.0000000), wk = 0.0022831 k( 8) = ( 0.0440552 0.0440552 0.0000000), wk = 0.0022831 k( 9) = ( 0.0503488 0.0503488 -0.0000000), wk = 0.0022831 k( 10) = ( 0.0566424 0.0566424 -0.0000000), wk = 0.0022831 k( 11) = ( 0.0629360 0.0629360 0.0000000), wk = 0.0022831 k( 12) = ( 0.0692296 0.0692296 0.0000000), wk = 0.0022831 k( 13) = ( 0.0755232 0.0755232 0.0000000), wk = 0.0022831 k( 14) = ( 0.0818168 0.0818168 0.0000000), wk = 0.0022831 k( 15) = ( 0.0881104 0.0881104 0.0000000), wk = 0.0022831 k( 16) = ( 0.0944040 0.0944040 0.0000000), wk = 0.0022831 k( 17) = ( 0.1006976 0.1006976 0.0000000), wk = 0.0022831 k( 18) = ( 0.1069912 0.1069912 0.0000000), wk = 0.0022831 k( 19) = ( 0.1132848 0.1132848 -0.0000000), wk = 0.0022831 k( 20) = ( 0.1195784 0.1195784 0.0000000), wk = 0.0022831 k( 21) = ( 0.1258720 0.1258720 0.0000000), wk = 0.0022831 k( 22) = ( 0.1321656 0.1321656 0.0000000), wk = 0.0022831 k( 23) = ( 0.1384592 0.1384592 0.0000000), wk = 0.0022831 k( 24) = ( 0.1447528 0.1447528 0.0000000), wk = 0.0022831 k( 25) = ( 0.1510463 0.1510464 0.0000000), wk = 0.0022831 k( 26) = ( 0.1573400 0.1573400 0.0000000), wk = 0.0022831 k( 27) = ( 0.1636335 0.1636336 0.0000000), wk = 0.0022831 k( 28) = ( 0.1699271 0.1699271 0.0000000), wk = 0.0022831 k( 29) = ( 0.1762207 0.1762207 0.0000000), wk = 0.0022831 k( 30) = ( 0.1825143 0.1825143 -0.0000000), wk = 0.0022831 k( 31) = ( 0.1888079 0.1888079 0.0000000), wk = 0.0022831 k( 32) = ( 0.1951015 0.1951015 -0.0000000), wk = 0.0022831 k( 33) = ( 0.2013951 0.2013951 0.0000000), wk = 0.0022831 k( 34) = ( 0.2076887 0.2076887 0.0000000), wk = 0.0022831 k( 35) = ( 0.2139823 0.2139823 0.0000000), wk = 0.0022831 k( 36) = ( 0.2202759 0.2202759 0.0000000), wk = 0.0022831 k( 37) = ( 0.2265695 0.2265695 0.0000000), wk = 0.0022831 k( 38) = ( 0.2328631 0.2328631 0.0000000), wk = 0.0022831 k( 39) = ( 0.2391567 0.2391567 0.0000000), wk = 0.0022831 k( 40) = ( 0.2454503 0.2454503 0.0000000), wk = 0.0022831 k( 41) = ( 0.2517439 0.2517439 0.0000000), wk = 0.0022831 k( 42) = ( 0.2580375 0.2580375 0.0000000), wk = 0.0022831 k( 43) = ( 0.2643311 0.2643311 -0.0000000), wk = 0.0022831 k( 44) = ( 0.2706247 0.2706247 0.0000000), wk = 0.0022831 k( 45) = ( 0.2769183 0.2769183 0.0000000), wk = 0.0022831 k( 46) = ( 0.2832119 0.2832119 0.0000000), wk = 0.0022831 k( 47) = ( 0.2895055 0.2895055 0.0000000), wk = 0.0022831 k( 48) = ( 0.2895055 0.2895055 0.0000000), wk = 0.0022831 k( 49) = ( 0.2724758 0.3018875 0.0000000), wk = 0.0022831 k( 50) = ( 0.2554460 0.3142696 0.0000000), wk = 0.0022831 k( 51) = ( 0.2384163 0.3266516 -0.0000000), wk = 0.0022831 k( 52) = ( 0.2213866 0.3390336 -0.0000000), wk = 0.0022831 k( 53) = ( 0.2043568 0.3514157 -0.0000000), wk = 0.0022831 k( 54) = ( 0.1873271 0.3637977 0.0000000), wk = 0.0022831 k( 55) = ( 0.1702974 0.3761797 0.0000000), wk = 0.0022831 k( 56) = ( 0.1532676 0.3885617 0.0000000), wk = 0.0022831 k( 57) = ( 0.1362379 0.4009438 0.0000000), wk = 0.0022831 k( 58) = ( 0.1192081 0.4133258 0.0000000), wk = 0.0022831 k( 59) = ( 0.1021784 0.4257078 0.0000000), wk = 0.0022831 k( 60) = ( 0.0851487 0.4380899 0.0000000), wk = 0.0022831 k( 61) = ( 0.0681189 0.4504719 0.0000000), wk = 0.0022831 k( 62) = ( 0.0510892 0.4628539 0.0000000), wk = 0.0022831 k( 63) = ( 0.0340595 0.4752359 0.0000000), wk = 0.0022831 k( 64) = ( 0.0170297 0.4876180 -0.0000000), wk = 0.0022831 k( 65) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022831 k( 66) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022831 k( 67) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0022831 k( 68) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0022831 k( 69) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022831 k( 70) = ( 0.0000000 0.5000000 0.0476190), wk = 0.0022831 k( 71) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0022831 k( 72) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022831 k( 73) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0022831 k( 74) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0022831 k( 75) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022831 k( 76) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0022831 k( 77) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0022831 k( 78) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022831 k( 79) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0022831 k( 80) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022831 k( 81) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022831 k( 82) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0022831 k( 83) = ( 0.0000000 0.5000000 0.2023809), wk = 0.0022831 k( 84) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022831 k( 85) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0022831 k( 86) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0022831 k( 87) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022831 k( 88) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0022831 k( 89) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0022831 k( 90) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022831 k( 91) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0022831 k( 92) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0022831 k( 93) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022831 k( 94) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022831 k( 95) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0022831 k( 96) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022831 k( 97) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0022831 k( 98) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0022831 k( 99) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022831 k( 100) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0022831 k( 101) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0022831 k( 102) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022831 k( 103) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0022831 k( 104) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0022831 k( 105) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022831 k( 106) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0022831 k( 107) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0022831 k( 108) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022831 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022831 k( 110) = ( 0.0170297 0.4876180 0.5000000), wk = 0.0022831 k( 111) = ( 0.0340595 0.4752359 0.5000000), wk = 0.0022831 k( 112) = ( 0.0510892 0.4628539 0.5000000), wk = 0.0022831 k( 113) = ( 0.0681189 0.4504719 0.5000000), wk = 0.0022831 k( 114) = ( 0.0851487 0.4380899 0.5000000), wk = 0.0022831 k( 115) = ( 0.1021784 0.4257078 0.5000000), wk = 0.0022831 k( 116) = ( 0.1192081 0.4133258 0.5000000), wk = 0.0022831 k( 117) = ( 0.1362379 0.4009438 0.5000000), wk = 0.0022831 k( 118) = ( 0.1532676 0.3885617 0.5000000), wk = 0.0022831 k( 119) = ( 0.1702974 0.3761797 0.5000000), wk = 0.0022831 k( 120) = ( 0.1873271 0.3637977 0.5000000), wk = 0.0022831 k( 121) = ( 0.2043568 0.3514157 0.5000000), wk = 0.0022831 k( 122) = ( 0.2213866 0.3390336 0.5000000), wk = 0.0022831 k( 123) = ( 0.2384163 0.3266516 0.5000000), wk = 0.0022831 k( 124) = ( 0.2554460 0.3142696 0.5000000), wk = 0.0022831 k( 125) = ( 0.2724758 0.3018875 0.5000000), wk = 0.0022831 k( 126) = ( 0.2895055 0.2895055 0.5000000), wk = 0.0022831 k( 127) = ( 0.2895055 0.2895055 0.5000000), wk = 0.0022831 k( 128) = ( 0.2832119 0.2832119 0.5000000), wk = 0.0022831 k( 129) = ( 0.2769183 0.2769183 0.5000000), wk = 0.0022831 k( 130) = ( 0.2706247 0.2706247 0.5000000), wk = 0.0022831 k( 131) = ( 0.2643311 0.2643311 0.5000000), wk = 0.0022831 k( 132) = ( 0.2580375 0.2580375 0.5000000), wk = 0.0022831 k( 133) = ( 0.2517439 0.2517439 0.5000000), wk = 0.0022831 k( 134) = ( 0.2454503 0.2454503 0.5000000), wk = 0.0022831 k( 135) = ( 0.2391567 0.2391567 0.5000000), wk = 0.0022831 k( 136) = ( 0.2328631 0.2328631 0.5000000), wk = 0.0022831 k( 137) = ( 0.2265695 0.2265695 0.5000000), wk = 0.0022831 k( 138) = ( 0.2202759 0.2202759 0.5000000), wk = 0.0022831 k( 139) = ( 0.2139823 0.2139823 0.5000000), wk = 0.0022831 k( 140) = ( 0.2076887 0.2076887 0.5000000), wk = 0.0022831 k( 141) = ( 0.2013951 0.2013951 0.5000000), wk = 0.0022831 k( 142) = ( 0.1951015 0.1951015 0.5000000), wk = 0.0022831 k( 143) = ( 0.1888079 0.1888079 0.5000000), wk = 0.0022831 k( 144) = ( 0.1825143 0.1825143 0.5000000), wk = 0.0022831 k( 145) = ( 0.1762207 0.1762207 0.5000000), wk = 0.0022831 k( 146) = ( 0.1699271 0.1699271 0.5000000), wk = 0.0022831 k( 147) = ( 0.1636335 0.1636336 0.5000000), wk = 0.0022831 k( 148) = ( 0.1573400 0.1573400 0.5000000), wk = 0.0022831 k( 149) = ( 0.1510463 0.1510464 0.5000000), wk = 0.0022831 k( 150) = ( 0.1447528 0.1447528 0.5000000), wk = 0.0022831 k( 151) = ( 0.1384592 0.1384592 0.5000000), wk = 0.0022831 k( 152) = ( 0.1321656 0.1321656 0.5000000), wk = 0.0022831 k( 153) = ( 0.1258720 0.1258720 0.5000000), wk = 0.0022831 k( 154) = ( 0.1195784 0.1195784 0.5000000), wk = 0.0022831 k( 155) = ( 0.1132848 0.1132848 0.5000000), wk = 0.0022831 k( 156) = ( 0.1069912 0.1069912 0.5000000), wk = 0.0022831 k( 157) = ( 0.1006976 0.1006976 0.5000000), wk = 0.0022831 k( 158) = ( 0.0944040 0.0944040 0.5000000), wk = 0.0022831 k( 159) = ( 0.0881104 0.0881104 0.5000000), wk = 0.0022831 k( 160) = ( 0.0818168 0.0818168 0.5000000), wk = 0.0022831 k( 161) = ( 0.0755232 0.0755232 0.5000000), wk = 0.0022831 k( 162) = ( 0.0692296 0.0692296 0.5000000), wk = 0.0022831 k( 163) = ( 0.0629360 0.0629360 0.5000000), wk = 0.0022831 k( 164) = ( 0.0566424 0.0566424 0.5000000), wk = 0.0022831 k( 165) = ( 0.0503488 0.0503488 0.5000000), wk = 0.0022831 k( 166) = ( 0.0440552 0.0440552 0.5000000), wk = 0.0022831 k( 167) = ( 0.0377616 0.0377616 0.5000000), wk = 0.0022831 k( 168) = ( 0.0314680 0.0314680 0.5000000), wk = 0.0022831 k( 169) = ( 0.0251744 0.0251744 0.5000000), wk = 0.0022831 k( 170) = ( 0.0188808 0.0188808 0.5000000), wk = 0.0022831 k( 171) = ( 0.0125872 0.0125872 0.5000000), wk = 0.0022831 k( 172) = ( 0.0062936 0.0062936 0.5000000), wk = 0.0022831 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022831 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022831 k( 175) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0022831 k( 176) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022831 k( 177) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022831 k( 178) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0022831 k( 179) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0022831 k( 180) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022831 k( 181) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022831 k( 182) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022831 k( 183) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022831 k( 184) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022831 k( 185) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0022831 k( 186) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022831 k( 187) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0022831 k( 188) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022831 k( 189) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022831 k( 190) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022831 k( 191) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0022831 k( 192) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022831 k( 193) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0022831 k( 194) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022831 k( 195) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022831 k( 196) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022831 k( 197) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0022831 k( 198) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022831 k( 199) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0022831 k( 200) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022831 k( 201) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022831 k( 202) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022831 k( 203) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0022831 k( 204) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022831 k( 205) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0022831 k( 206) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022831 k( 207) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022831 k( 208) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022831 k( 209) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022831 k( 210) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022831 k( 211) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0022831 k( 212) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022831 k( 213) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022831 k( 214) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022831 k( 215) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0022831 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022831 k( 218) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0022831 k( 219) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0022831 k( 220) = ( -0.0468750 0.0468750 -0.0000000), wk = 0.0022831 k( 221) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0022831 k( 222) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0022831 k( 223) = ( -0.0937500 0.0937500 -0.0000000), wk = 0.0022831 k( 224) = ( -0.1093750 0.1093750 -0.0000000), wk = 0.0022831 k( 225) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0022831 k( 226) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0022831 k( 227) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0022831 k( 228) = ( -0.1718750 0.1718750 0.0000000), wk = 0.0022831 k( 229) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0022831 k( 230) = ( -0.2031250 0.2031250 -0.0000000), wk = 0.0022831 k( 231) = ( -0.2187500 0.2187500 -0.0000000), wk = 0.0022831 k( 232) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0022831 k( 233) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0022831 k( 234) = ( -0.2656250 0.2656250 -0.0000000), wk = 0.0022831 k( 235) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0022831 k( 236) = ( -0.2968750 0.2968750 -0.0000000), wk = 0.0022831 k( 237) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0022831 k( 238) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0022831 k( 239) = ( -0.3437500 0.3437500 0.0000000), wk = 0.0022831 k( 240) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0022831 k( 241) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0022831 k( 242) = ( -0.3906250 0.3906250 -0.0000000), wk = 0.0022831 k( 243) = ( -0.4062500 0.4062500 -0.0000000), wk = 0.0022831 k( 244) = ( -0.4218750 0.4218750 0.0000000), wk = 0.0022831 k( 245) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0022831 k( 246) = ( -0.4531250 0.4531250 -0.0000000), wk = 0.0022831 k( 247) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0022831 k( 248) = ( -0.4843750 0.4843750 -0.0000000), wk = 0.0022831 k( 249) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022831 k( 250) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022831 k( 251) = ( -0.4938090 0.5061910 0.0000000), wk = 0.0022831 k( 252) = ( -0.4876180 0.5123820 -0.0000000), wk = 0.0022831 k( 253) = ( -0.4814270 0.5185730 -0.0000000), wk = 0.0022831 k( 254) = ( -0.4752359 0.5247641 -0.0000000), wk = 0.0022831 k( 255) = ( -0.4690449 0.5309551 -0.0000000), wk = 0.0022831 k( 256) = ( -0.4628539 0.5371461 -0.0000000), wk = 0.0022831 k( 257) = ( -0.4566629 0.5433371 -0.0000000), wk = 0.0022831 k( 258) = ( -0.4504719 0.5495281 -0.0000000), wk = 0.0022831 k( 259) = ( -0.4442809 0.5557191 0.0000000), wk = 0.0022831 k( 260) = ( -0.4380899 0.5619101 -0.0000000), wk = 0.0022831 k( 261) = ( -0.4318988 0.5681012 0.0000000), wk = 0.0022831 k( 262) = ( -0.4257078 0.5742922 -0.0000000), wk = 0.0022831 k( 263) = ( -0.4195168 0.5804832 -0.0000000), wk = 0.0022831 k( 264) = ( -0.4133258 0.5866742 -0.0000000), wk = 0.0022831 k( 265) = ( -0.4071348 0.5928652 0.0000000), wk = 0.0022831 k( 266) = ( -0.4009438 0.5990562 -0.0000000), wk = 0.0022831 k( 267) = ( -0.3947527 0.6052473 -0.0000000), wk = 0.0022831 k( 268) = ( -0.3885617 0.6114383 -0.0000000), wk = 0.0022831 k( 269) = ( -0.3823707 0.6176293 -0.0000000), wk = 0.0022831 k( 270) = ( -0.3761797 0.6238203 -0.0000000), wk = 0.0022831 k( 271) = ( -0.3699887 0.6300113 0.0000000), wk = 0.0022831 k( 272) = ( -0.3637977 0.6362023 -0.0000000), wk = 0.0022831 k( 273) = ( -0.3576067 0.6423933 -0.0000000), wk = 0.0022831 k( 274) = ( -0.3514157 0.6485844 -0.0000000), wk = 0.0022831 k( 275) = ( -0.3452246 0.6547754 -0.0000000), wk = 0.0022831 k( 276) = ( -0.3390336 0.6609664 0.0000000), wk = 0.0022831 k( 277) = ( -0.3328426 0.6671574 -0.0000000), wk = 0.0022831 k( 278) = ( -0.3266516 0.6733484 -0.0000000), wk = 0.0022831 k( 279) = ( -0.3204606 0.6795394 -0.0000000), wk = 0.0022831 k( 280) = ( -0.3142696 0.6857304 -0.0000000), wk = 0.0022831 k( 281) = ( -0.3080786 0.6919215 0.0000000), wk = 0.0022831 k( 282) = ( -0.3018875 0.6981125 -0.0000000), wk = 0.0022831 k( 283) = ( -0.2956965 0.7043035 -0.0000000), wk = 0.0022831 k( 284) = ( -0.2895055 0.7104945 0.0000000), wk = 0.0022831 k( 285) = ( -0.2895055 0.7104945 0.0000000), wk = 0.0022831 k( 286) = ( -0.2895055 0.7104945 0.0119048), wk = 0.0022831 k( 287) = ( -0.2895055 0.7104945 0.0238095), wk = 0.0022831 k( 288) = ( -0.2895055 0.7104945 0.0357143), wk = 0.0022831 k( 289) = ( -0.2895055 0.7104945 0.0476190), wk = 0.0022831 k( 290) = ( -0.2895055 0.7104945 0.0595238), wk = 0.0022831 k( 291) = ( -0.2895055 0.7104945 0.0714286), wk = 0.0022831 k( 292) = ( -0.2895055 0.7104945 0.0833333), wk = 0.0022831 k( 293) = ( -0.2895055 0.7104945 0.0952381), wk = 0.0022831 k( 294) = ( -0.2895055 0.7104945 0.1071429), wk = 0.0022831 k( 295) = ( -0.2895055 0.7104945 0.1190476), wk = 0.0022831 k( 296) = ( -0.2895055 0.7104945 0.1309524), wk = 0.0022831 k( 297) = ( -0.2895055 0.7104945 0.1428571), wk = 0.0022831 k( 298) = ( -0.2895055 0.7104945 0.1547619), wk = 0.0022831 k( 299) = ( -0.2895055 0.7104945 0.1666667), wk = 0.0022831 k( 300) = ( -0.2895055 0.7104945 0.1785714), wk = 0.0022831 k( 301) = ( -0.2895055 0.7104945 0.1904762), wk = 0.0022831 k( 302) = ( -0.2895055 0.7104945 0.2023810), wk = 0.0022831 k( 303) = ( -0.2895055 0.7104945 0.2142857), wk = 0.0022831 k( 304) = ( -0.2895055 0.7104945 0.2261905), wk = 0.0022831 k( 305) = ( -0.2895055 0.7104945 0.2380952), wk = 0.0022831 k( 306) = ( -0.2895055 0.7104945 0.2500000), wk = 0.0022831 k( 307) = ( -0.2895055 0.7104945 0.2619048), wk = 0.0022831 k( 308) = ( -0.2895055 0.7104945 0.2738095), wk = 0.0022831 k( 309) = ( -0.2895055 0.7104945 0.2857143), wk = 0.0022831 k( 310) = ( -0.2895055 0.7104945 0.2976190), wk = 0.0022831 k( 311) = ( -0.2895055 0.7104945 0.3095238), wk = 0.0022831 k( 312) = ( -0.2895055 0.7104945 0.3214286), wk = 0.0022831 k( 313) = ( -0.2895055 0.7104945 0.3333333), wk = 0.0022831 k( 314) = ( -0.2895055 0.7104945 0.3452381), wk = 0.0022831 k( 315) = ( -0.2895055 0.7104945 0.3571429), wk = 0.0022831 k( 316) = ( -0.2895055 0.7104945 0.3690476), wk = 0.0022831 k( 317) = ( -0.2895055 0.7104945 0.3809524), wk = 0.0022831 k( 318) = ( -0.2895055 0.7104945 0.3928571), wk = 0.0022831 k( 319) = ( -0.2895055 0.7104945 0.4047619), wk = 0.0022831 k( 320) = ( -0.2895055 0.7104945 0.4166667), wk = 0.0022831 k( 321) = ( -0.2895055 0.7104945 0.4285714), wk = 0.0022831 k( 322) = ( -0.2895055 0.7104945 0.4404762), wk = 0.0022831 k( 323) = ( -0.2895055 0.7104945 0.4523810), wk = 0.0022831 k( 324) = ( -0.2895055 0.7104945 0.4642857), wk = 0.0022831 k( 325) = ( -0.2895055 0.7104945 0.4761905), wk = 0.0022831 k( 326) = ( -0.2895055 0.7104945 0.4880952), wk = 0.0022831 k( 327) = ( -0.2895055 0.7104945 0.5000000), wk = 0.0022831 k( 328) = ( -0.2895055 0.7104945 0.5000000), wk = 0.0022831 k( 329) = ( -0.2956965 0.7043035 0.5000000), wk = 0.0022831 k( 330) = ( -0.3018875 0.6981125 0.5000000), wk = 0.0022831 k( 331) = ( -0.3080786 0.6919215 0.5000000), wk = 0.0022831 k( 332) = ( -0.3142696 0.6857304 0.5000000), wk = 0.0022831 k( 333) = ( -0.3204606 0.6795394 0.5000000), wk = 0.0022831 k( 334) = ( -0.3266516 0.6733484 0.5000000), wk = 0.0022831 k( 335) = ( -0.3328426 0.6671574 0.5000000), wk = 0.0022831 k( 336) = ( -0.3390336 0.6609664 0.5000000), wk = 0.0022831 k( 337) = ( -0.3452246 0.6547754 0.5000000), wk = 0.0022831 k( 338) = ( -0.3514157 0.6485844 0.5000000), wk = 0.0022831 k( 339) = ( -0.3576067 0.6423933 0.5000000), wk = 0.0022831 k( 340) = ( -0.3637977 0.6362023 0.5000000), wk = 0.0022831 k( 341) = ( -0.3699887 0.6300113 0.5000000), wk = 0.0022831 k( 342) = ( -0.3761797 0.6238203 0.5000000), wk = 0.0022831 k( 343) = ( -0.3823707 0.6176293 0.5000000), wk = 0.0022831 k( 344) = ( -0.3885617 0.6114383 0.5000000), wk = 0.0022831 k( 345) = ( -0.3947527 0.6052473 0.5000000), wk = 0.0022831 k( 346) = ( -0.4009438 0.5990562 0.5000000), wk = 0.0022831 k( 347) = ( -0.4071348 0.5928652 0.5000000), wk = 0.0022831 k( 348) = ( -0.4133258 0.5866742 0.5000000), wk = 0.0022831 k( 349) = ( -0.4195168 0.5804832 0.5000000), wk = 0.0022831 k( 350) = ( -0.4257078 0.5742922 0.5000000), wk = 0.0022831 k( 351) = ( -0.4318988 0.5681012 0.5000000), wk = 0.0022831 k( 352) = ( -0.4380899 0.5619101 0.5000000), wk = 0.0022831 k( 353) = ( -0.4442809 0.5557191 0.5000000), wk = 0.0022831 k( 354) = ( -0.4504719 0.5495281 0.5000000), wk = 0.0022831 k( 355) = ( -0.4566629 0.5433371 0.5000000), wk = 0.0022831 k( 356) = ( -0.4628539 0.5371461 0.5000000), wk = 0.0022831 k( 357) = ( -0.4690449 0.5309551 0.5000000), wk = 0.0022831 k( 358) = ( -0.4752359 0.5247641 0.5000000), wk = 0.0022831 k( 359) = ( -0.4814270 0.5185730 0.5000000), wk = 0.0022831 k( 360) = ( -0.4876180 0.5123820 0.5000000), wk = 0.0022831 k( 361) = ( -0.4938090 0.5061910 0.5000000), wk = 0.0022831 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022831 k( 363) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022831 k( 364) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0022831 k( 365) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0022831 k( 366) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0022831 k( 367) = ( -0.5000000 0.5000000 0.4523809), wk = 0.0022831 k( 368) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0022831 k( 369) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0022831 k( 370) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0022831 k( 371) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0022831 k( 372) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0022831 k( 373) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0022831 k( 374) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0022831 k( 375) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0022831 k( 376) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0022831 k( 377) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022831 k( 378) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0022831 k( 379) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0022831 k( 380) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0022831 k( 381) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0022831 k( 382) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0022831 k( 383) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0022831 k( 384) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0022831 k( 385) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0022831 k( 386) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0022831 k( 387) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0022831 k( 388) = ( -0.5000000 0.5000000 0.2023809), wk = 0.0022831 k( 389) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0022831 k( 390) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0022831 k( 391) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022831 k( 392) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0022831 k( 393) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0022831 k( 394) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0022831 k( 395) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0022831 k( 396) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0022831 k( 397) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0022831 k( 398) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0022831 k( 399) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0022831 k( 400) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0022831 k( 401) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0022831 k( 402) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0022831 k( 403) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0022831 k( 404) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0022831 k( 405) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0022831 k( 406) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022831 k( 407) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0022831 k( 408) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0022831 k( 409) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0022831 k( 410) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0022831 k( 411) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0022831 k( 412) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0022831 k( 413) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0022831 k( 414) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0022831 k( 415) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0022831 k( 416) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0022831 k( 417) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0022831 k( 418) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0022831 k( 419) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0022831 k( 420) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0022831 k( 421) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0022831 k( 422) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022831 k( 423) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0022831 k( 424) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0022831 k( 425) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0022831 k( 426) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0022831 k( 427) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0022831 k( 428) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0022831 k( 429) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0022831 k( 430) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0022831 k( 431) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0022831 k( 432) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0022831 k( 433) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0022831 k( 434) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0022831 k( 435) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0022831 k( 436) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0022831 k( 437) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0022831 k( 438) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022831 Dense grid: 69809 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 25207 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 180, 38) NL pseudopotentials 0.13 Mb ( 90, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1940) G-vector shells 0.01 Mb ( 981) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 180, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./ScGe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.5 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.0 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.0 secs Computing kpt #: 22 total cpu time spent up to now is 12.3 secs Computing kpt #: 23 total cpu time spent up to now is 12.7 secs Computing kpt #: 24 total cpu time spent up to now is 13.1 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.3 secs Computing kpt #: 28 total cpu time spent up to now is 14.7 secs Computing kpt #: 29 total cpu time spent up to now is 15.2 secs Computing kpt #: 30 total cpu time spent up to now is 15.7 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 17.3 secs Computing kpt #: 33 total cpu time spent up to now is 17.9 secs Computing kpt #: 34 total cpu time spent up to now is 18.7 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 20.2 secs Computing kpt #: 37 total cpu time spent up to now is 20.9 secs Computing kpt #: 38 total cpu time spent up to now is 21.5 secs Computing kpt #: 39 total cpu time spent up to now is 22.0 secs Computing kpt #: 40 total cpu time spent up to now is 22.5 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.6 secs Computing kpt #: 45 total cpu time spent up to now is 25.0 secs Computing kpt #: 46 total cpu time spent up to now is 25.5 secs Computing kpt #: 47 total cpu time spent up to now is 26.0 secs Computing kpt #: 48 total cpu time spent up to now is 26.4 secs Computing kpt #: 49 total cpu time spent up to now is 26.9 secs Computing kpt #: 50 total cpu time spent up to now is 27.4 secs Computing kpt #: 51 total cpu time spent up to now is 27.9 secs Computing kpt #: 52 total cpu time spent up to now is 28.3 secs Computing kpt #: 53 total cpu time spent up to now is 28.8 secs Computing kpt #: 54 total cpu time spent up to now is 29.2 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.6 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.5 secs Computing kpt #: 60 total cpu time spent up to now is 32.0 secs Computing kpt #: 61 total cpu time spent up to now is 32.4 secs Computing kpt #: 62 total cpu time spent up to now is 32.9 secs Computing kpt #: 63 total cpu time spent up to now is 33.3 secs Computing kpt #: 64 total cpu time spent up to now is 33.7 secs Computing kpt #: 65 total cpu time spent up to now is 34.2 secs Computing kpt #: 66 total cpu time spent up to now is 34.6 secs Computing kpt #: 67 total cpu time spent up to now is 35.0 secs Computing kpt #: 68 total cpu time spent up to now is 35.5 secs Computing kpt #: 69 total cpu time spent up to now is 35.9 secs Computing kpt #: 70 total cpu time spent up to now is 36.3 secs Computing kpt #: 71 total cpu time spent up to now is 36.8 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.7 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.5 secs Computing kpt #: 76 total cpu time spent up to now is 39.0 secs Computing kpt #: 77 total cpu time spent up to now is 39.4 secs Computing kpt #: 78 total cpu time spent up to now is 39.9 secs Computing kpt #: 79 total cpu time spent up to now is 40.4 secs Computing kpt #: 80 total cpu time spent up to now is 40.9 secs Computing kpt #: 81 total cpu time spent up to now is 41.4 secs Computing kpt #: 82 total cpu time spent up to now is 41.8 secs Computing kpt #: 83 total cpu time spent up to now is 42.3 secs Computing kpt #: 84 total cpu time spent up to now is 42.8 secs Computing kpt #: 85 total cpu time spent up to now is 43.3 secs Computing kpt #: 86 total cpu time spent up to now is 43.8 secs Computing kpt #: 87 total cpu time spent up to now is 44.3 secs Computing kpt #: 88 total cpu time spent up to now is 44.8 secs Computing kpt #: 89 total cpu time spent up to now is 45.3 secs Computing kpt #: 90 total cpu time spent up to now is 45.7 secs Computing kpt #: 91 total cpu time spent up to now is 46.2 secs Computing kpt #: 92 total cpu time spent up to now is 46.7 secs Computing kpt #: 93 total cpu time spent up to now is 47.4 secs Computing kpt #: 94 total cpu time spent up to now is 48.0 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.9 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.7 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.7 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.7 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.6 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.5 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.4 secs Computing kpt #: 108 total cpu time spent up to now is 60.8 secs Computing kpt #: 109 total cpu time spent up to now is 61.3 secs Computing kpt #: 110 total cpu time spent up to now is 61.7 secs Computing kpt #: 111 total cpu time spent up to now is 62.2 secs Computing kpt #: 112 total cpu time spent up to now is 62.8 secs Computing kpt #: 113 total cpu time spent up to now is 63.3 secs Computing kpt #: 114 total cpu time spent up to now is 63.9 secs Computing kpt #: 115 total cpu time spent up to now is 64.6 secs Computing kpt #: 116 total cpu time spent up to now is 65.2 secs Computing kpt #: 117 total cpu time spent up to now is 66.0 secs Computing kpt #: 118 total cpu time spent up to now is 66.7 secs Computing kpt #: 119 total cpu time spent up to now is 67.3 secs Computing kpt #: 120 total cpu time spent up to now is 68.0 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.9 secs Computing kpt #: 122 total cpu time spent up to now is 69.5 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.4 secs Computing kpt #: 124 total cpu time spent up to now is 71.0 secs Computing kpt #: 125 total cpu time spent up to now is 71.6 secs Computing kpt #: 126 total cpu time spent up to now is 71.9 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.9 secs Computing kpt #: 129 total cpu time spent up to now is 73.4 secs Computing kpt #: 130 total cpu time spent up to now is 74.1 secs Computing kpt #: 131 total cpu time spent up to now is 74.7 secs Computing kpt #: 132 total cpu time spent up to now is 75.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.2 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.2 secs Computing kpt #: 135 total cpu time spent up to now is 78.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.0 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.9 secs Computing kpt #: 140 total cpu time spent up to now is 82.4 secs Computing kpt #: 141 total cpu time spent up to now is 82.9 secs Computing kpt #: 142 total cpu time spent up to now is 83.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.4 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.3 secs Computing kpt #: 145 total cpu time spent up to now is 86.1 secs Computing kpt #: 146 total cpu time spent up to now is 87.0 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.8 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.7 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.6 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.7 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.7 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.7 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.8 secs Computing kpt #: 162 total cpu time spent up to now is 102.7 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.8 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.8 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.8 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.8 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.0 secs Computing kpt #: 170 total cpu time spent up to now is 110.7 secs Computing kpt #: 171 total cpu time spent up to now is 111.4 secs Computing kpt #: 172 total cpu time spent up to now is 112.0 secs Computing kpt #: 173 total cpu time spent up to now is 112.5 secs Computing kpt #: 174 total cpu time spent up to now is 112.9 secs Computing kpt #: 175 total cpu time spent up to now is 113.5 secs Computing kpt #: 176 total cpu time spent up to now is 114.1 secs Computing kpt #: 177 total cpu time spent up to now is 114.6 secs Computing kpt #: 178 total cpu time spent up to now is 115.1 secs Computing kpt #: 179 total cpu time spent up to now is 115.6 secs Computing kpt #: 180 total cpu time spent up to now is 116.3 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.2 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.2 secs Computing kpt #: 183 total cpu time spent up to now is 119.0 secs Computing kpt #: 184 total cpu time spent up to now is 119.8 secs Computing kpt #: 185 total cpu time spent up to now is 120.6 secs Computing kpt #: 186 total cpu time spent up to now is 121.2 secs Computing kpt #: 187 total cpu time spent up to now is 121.9 secs Computing kpt #: 188 total cpu time spent up to now is 122.5 secs Computing kpt #: 189 total cpu time spent up to now is 123.0 secs Computing kpt #: 190 total cpu time spent up to now is 123.6 secs Computing kpt #: 191 total cpu time spent up to now is 124.2 secs Computing kpt #: 192 total cpu time spent up to now is 124.7 secs Computing kpt #: 193 total cpu time spent up to now is 125.3 secs Computing kpt #: 194 total cpu time spent up to now is 126.0 secs Computing kpt #: 195 total cpu time spent up to now is 126.6 secs Computing kpt #: 196 total cpu time spent up to now is 127.2 secs Computing kpt #: 197 total cpu time spent up to now is 127.8 secs Computing kpt #: 198 total cpu time spent up to now is 128.6 secs Computing kpt #: 199 total cpu time spent up to now is 129.3 secs Computing kpt #: 200 total cpu time spent up to now is 129.9 secs Computing kpt #: 201 total cpu time spent up to now is 130.4 secs Computing kpt #: 202 total cpu time spent up to now is 131.0 secs Computing kpt #: 203 total cpu time spent up to now is 131.8 secs Computing kpt #: 204 total cpu time spent up to now is 132.4 secs Computing kpt #: 205 total cpu time spent up to now is 133.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.0 secs Computing kpt #: 207 total cpu time spent up to now is 134.8 secs Computing kpt #: 208 total cpu time spent up to now is 135.6 secs Computing kpt #: 209 total cpu time spent up to now is 136.1 secs Computing kpt #: 210 total cpu time spent up to now is 136.7 secs Computing kpt #: 211 total cpu time spent up to now is 137.1 secs Computing kpt #: 212 total cpu time spent up to now is 137.6 secs Computing kpt #: 213 total cpu time spent up to now is 138.1 secs Computing kpt #: 214 total cpu time spent up to now is 138.5 secs Computing kpt #: 215 total cpu time spent up to now is 139.0 secs Computing kpt #: 216 total cpu time spent up to now is 139.5 secs Computing kpt #: 217 total cpu time spent up to now is 140.0 secs Computing kpt #: 218 total cpu time spent up to now is 140.4 secs Computing kpt #: 219 total cpu time spent up to now is 140.9 secs Computing kpt #: 220 total cpu time spent up to now is 141.4 secs Computing kpt #: 221 total cpu time spent up to now is 142.0 secs Computing kpt #: 222 total cpu time spent up to now is 142.6 secs Computing kpt #: 223 total cpu time spent up to now is 143.2 secs Computing kpt #: 224 total cpu time spent up to now is 143.8 secs Computing kpt #: 225 total cpu time spent up to now is 144.3 secs Computing kpt #: 226 total cpu time spent up to now is 144.8 secs Computing kpt #: 227 total cpu time spent up to now is 145.2 secs Computing kpt #: 228 total cpu time spent up to now is 145.7 secs Computing kpt #: 229 total cpu time spent up to now is 146.1 secs Computing kpt #: 230 total cpu time spent up to now is 146.5 secs Computing kpt #: 231 total cpu time spent up to now is 146.9 secs Computing kpt #: 232 total cpu time spent up to now is 147.3 secs Computing kpt #: 233 total cpu time spent up to now is 147.6 secs Computing kpt #: 234 total cpu time spent up to now is 148.0 secs Computing kpt #: 235 total cpu time spent up to now is 148.3 secs Computing kpt #: 236 total cpu time spent up to now is 148.7 secs Computing kpt #: 237 total cpu time spent up to now is 149.0 secs Computing kpt #: 238 total cpu time spent up to now is 149.3 secs Computing kpt #: 239 total cpu time spent up to now is 149.7 secs Computing kpt #: 240 total cpu time spent up to now is 150.0 secs Computing kpt #: 241 total cpu time spent up to now is 150.3 secs Computing kpt #: 242 total cpu time spent up to now is 150.7 secs Computing kpt #: 243 total cpu time spent up to now is 151.0 secs Computing kpt #: 244 total cpu time spent up to now is 151.3 secs Computing kpt #: 245 total cpu time spent up to now is 151.7 secs Computing kpt #: 246 total cpu time spent up to now is 152.0 secs Computing kpt #: 247 total cpu time spent up to now is 152.3 secs Computing kpt #: 248 total cpu time spent up to now is 152.7 secs Computing kpt #: 249 total cpu time spent up to now is 153.0 secs Computing kpt #: 250 total cpu time spent up to now is 153.4 secs Computing kpt #: 251 total cpu time spent up to now is 153.7 secs Computing kpt #: 252 total cpu time spent up to now is 154.1 secs Computing kpt #: 253 total cpu time spent up to now is 154.6 secs Computing kpt #: 254 total cpu time spent up to now is 155.1 secs Computing kpt #: 255 total cpu time spent up to now is 155.6 secs Computing kpt #: 256 total cpu time spent up to now is 156.4 secs Computing kpt #: 257 total cpu time spent up to now is 157.3 secs Computing kpt #: 258 total cpu time spent up to now is 157.9 secs Computing kpt #: 259 total cpu time spent up to now is 158.2 secs Computing kpt #: 260 total cpu time spent up to now is 158.6 secs Computing kpt #: 261 total cpu time spent up to now is 158.9 secs Computing kpt #: 262 total cpu time spent up to now is 159.3 secs Computing kpt #: 263 total cpu time spent up to now is 159.7 secs Computing kpt #: 264 total cpu time spent up to now is 160.1 secs Computing kpt #: 265 total cpu time spent up to now is 160.4 secs Computing kpt #: 266 total cpu time spent up to now is 161.0 secs Computing kpt #: 267 total cpu time spent up to now is 161.8 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.7 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.7 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.6 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.6 secs Computing kpt #: 272 total cpu time spent up to now is 166.5 secs Computing kpt #: 273 total cpu time spent up to now is 167.1 secs Computing kpt #: 274 total cpu time spent up to now is 167.8 secs Computing kpt #: 275 total cpu time spent up to now is 168.6 secs Computing kpt #: 276 total cpu time spent up to now is 169.2 secs Computing kpt #: 277 total cpu time spent up to now is 169.8 secs Computing kpt #: 278 total cpu time spent up to now is 170.3 secs Computing kpt #: 279 total cpu time spent up to now is 170.8 secs Computing kpt #: 280 total cpu time spent up to now is 171.3 secs Computing kpt #: 281 total cpu time spent up to now is 171.7 secs Computing kpt #: 282 total cpu time spent up to now is 172.2 secs Computing kpt #: 283 total cpu time spent up to now is 172.7 secs Computing kpt #: 284 total cpu time spent up to now is 173.1 secs Computing kpt #: 285 total cpu time spent up to now is 173.6 secs Computing kpt #: 286 total cpu time spent up to now is 174.0 secs Computing kpt #: 287 total cpu time spent up to now is 174.4 secs Computing kpt #: 288 total cpu time spent up to now is 174.9 secs Computing kpt #: 289 total cpu time spent up to now is 175.5 secs Computing kpt #: 290 total cpu time spent up to now is 176.1 secs Computing kpt #: 291 total cpu time spent up to now is 176.8 secs Computing kpt #: 292 total cpu time spent up to now is 177.6 secs Computing kpt #: 293 total cpu time spent up to now is 178.4 secs Computing kpt #: 294 total cpu time spent up to now is 179.2 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.2 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.2 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.2 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.3 secs Computing kpt #: 300 total cpu time spent up to now is 184.8 secs Computing kpt #: 301 total cpu time spent up to now is 185.3 secs Computing kpt #: 302 total cpu time spent up to now is 185.8 secs Computing kpt #: 303 total cpu time spent up to now is 186.3 secs Computing kpt #: 304 total cpu time spent up to now is 186.9 secs Computing kpt #: 305 total cpu time spent up to now is 187.4 secs Computing kpt #: 306 total cpu time spent up to now is 187.9 secs Computing kpt #: 307 total cpu time spent up to now is 188.5 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.5 secs Computing kpt #: 309 total cpu time spent up to now is 190.4 secs Computing kpt #: 310 total cpu time spent up to now is 191.2 secs Computing kpt #: 311 total cpu time spent up to now is 191.7 secs Computing kpt #: 312 total cpu time spent up to now is 192.3 secs Computing kpt #: 313 total cpu time spent up to now is 192.8 secs Computing kpt #: 314 total cpu time spent up to now is 193.3 secs Computing kpt #: 315 total cpu time spent up to now is 193.8 secs Computing kpt #: 316 total cpu time spent up to now is 194.2 secs Computing kpt #: 317 total cpu time spent up to now is 194.8 secs Computing kpt #: 318 total cpu time spent up to now is 195.2 secs Computing kpt #: 319 total cpu time spent up to now is 195.7 secs Computing kpt #: 320 total cpu time spent up to now is 196.2 secs Computing kpt #: 321 total cpu time spent up to now is 196.7 secs Computing kpt #: 322 total cpu time spent up to now is 197.2 secs Computing kpt #: 323 total cpu time spent up to now is 197.7 secs Computing kpt #: 324 total cpu time spent up to now is 198.3 secs Computing kpt #: 325 total cpu time spent up to now is 198.9 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.7 secs Computing kpt #: 327 total cpu time spent up to now is 200.1 secs Computing kpt #: 328 total cpu time spent up to now is 200.4 secs Computing kpt #: 329 total cpu time spent up to now is 200.9 secs Computing kpt #: 330 total cpu time spent up to now is 201.2 secs Computing kpt #: 331 total cpu time spent up to now is 201.7 secs Computing kpt #: 332 total cpu time spent up to now is 202.0 secs Computing kpt #: 333 total cpu time spent up to now is 202.3 secs Computing kpt #: 334 total cpu time spent up to now is 202.7 secs Computing kpt #: 335 total cpu time spent up to now is 203.0 secs Computing kpt #: 336 total cpu time spent up to now is 203.4 secs Computing kpt #: 337 total cpu time spent up to now is 203.8 secs Computing kpt #: 338 total cpu time spent up to now is 204.1 secs Computing kpt #: 339 total cpu time spent up to now is 204.5 secs Computing kpt #: 340 total cpu time spent up to now is 204.9 secs Computing kpt #: 341 total cpu time spent up to now is 205.3 secs Computing kpt #: 342 total cpu time spent up to now is 205.7 secs Computing kpt #: 343 total cpu time spent up to now is 206.1 secs Computing kpt #: 344 total cpu time spent up to now is 206.5 secs Computing kpt #: 345 total cpu time spent up to now is 206.9 secs Computing kpt #: 346 total cpu time spent up to now is 207.4 secs Computing kpt #: 347 total cpu time spent up to now is 207.8 secs Computing kpt #: 348 total cpu time spent up to now is 208.2 secs Computing kpt #: 349 total cpu time spent up to now is 208.7 secs Computing kpt #: 350 total cpu time spent up to now is 209.1 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.0 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.8 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.7 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.5 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.4 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.3 secs Computing kpt #: 357 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.2 secs Computing kpt #: 358 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 359 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.9 secs Computing kpt #: 360 total cpu time spent up to now is 217.3 secs Computing kpt #: 361 total cpu time spent up to now is 217.7 secs Computing kpt #: 362 total cpu time spent up to now is 218.0 secs Computing kpt #: 363 total cpu time spent up to now is 218.4 secs Computing kpt #: 364 total cpu time spent up to now is 218.9 secs Computing kpt #: 365 total cpu time spent up to now is 219.4 secs Computing kpt #: 366 total cpu time spent up to now is 219.8 secs Computing kpt #: 367 total cpu time spent up to now is 220.2 secs Computing kpt #: 368 total cpu time spent up to now is 220.5 secs Computing kpt #: 369 total cpu time spent up to now is 220.9 secs Computing kpt #: 370 total cpu time spent up to now is 221.3 secs Computing kpt #: 371 total cpu time spent up to now is 221.7 secs Computing kpt #: 372 total cpu time spent up to now is 222.0 secs Computing kpt #: 373 total cpu time spent up to now is 222.4 secs Computing kpt #: 374 total cpu time spent up to now is 222.7 secs Computing kpt #: 375 total cpu time spent up to now is 223.1 secs Computing kpt #: 376 total cpu time spent up to now is 223.7 secs Computing kpt #: 377 total cpu time spent up to now is 224.2 secs Computing kpt #: 378 total cpu time spent up to now is 224.6 secs Computing kpt #: 379 total cpu time spent up to now is 225.0 secs Computing kpt #: 380 total cpu time spent up to now is 225.4 secs Computing kpt #: 381 total cpu time spent up to now is 225.7 secs Computing kpt #: 382 total cpu time spent up to now is 226.0 secs Computing kpt #: 383 total cpu time spent up to now is 226.4 secs Computing kpt #: 384 total cpu time spent up to now is 226.7 secs Computing kpt #: 385 total cpu time spent up to now is 227.1 secs Computing kpt #: 386 total cpu time spent up to now is 227.4 secs Computing kpt #: 387 total cpu time spent up to now is 227.7 secs Computing kpt #: 388 total cpu time spent up to now is 228.1 secs Computing kpt #: 389 total cpu time spent up to now is 228.4 secs Computing kpt #: 390 total cpu time spent up to now is 228.7 secs Computing kpt #: 391 total cpu time spent up to now is 229.1 secs Computing kpt #: 392 total cpu time spent up to now is 229.4 secs Computing kpt #: 393 total cpu time spent up to now is 229.7 secs Computing kpt #: 394 total cpu time spent up to now is 230.1 secs Computing kpt #: 395 total cpu time spent up to now is 230.4 secs Computing kpt #: 396 total cpu time spent up to now is 230.7 secs Computing kpt #: 397 total cpu time spent up to now is 231.1 secs Computing kpt #: 398 total cpu time spent up to now is 231.4 secs Computing kpt #: 399 total cpu time spent up to now is 231.7 secs Computing kpt #: 400 total cpu time spent up to now is 232.0 secs Computing kpt #: 401 total cpu time spent up to now is 232.4 secs Computing kpt #: 402 total cpu time spent up to now is 232.7 secs Computing kpt #: 403 total cpu time spent up to now is 233.0 secs Computing kpt #: 404 total cpu time spent up to now is 233.4 secs Computing kpt #: 405 total cpu time spent up to now is 233.7 secs Computing kpt #: 406 total cpu time spent up to now is 234.2 secs Computing kpt #: 407 total cpu time spent up to now is 234.7 secs Computing kpt #: 408 total cpu time spent up to now is 235.2 secs Computing kpt #: 409 total cpu time spent up to now is 235.7 secs Computing kpt #: 410 total cpu time spent up to now is 236.2 secs Computing kpt #: 411 total cpu time spent up to now is 236.6 secs Computing kpt #: 412 total cpu time spent up to now is 237.1 secs Computing kpt #: 413 total cpu time spent up to now is 237.5 secs Computing kpt #: 414 total cpu time spent up to now is 237.9 secs Computing kpt #: 415 total cpu time spent up to now is 238.4 secs Computing kpt #: 416 total cpu time spent up to now is 238.8 secs Computing kpt #: 417 total cpu time spent up to now is 239.3 secs Computing kpt #: 418 total cpu time spent up to now is 239.7 secs Computing kpt #: 419 total cpu time spent up to now is 240.2 secs Computing kpt #: 420 total cpu time spent up to now is 240.6 secs Computing kpt #: 421 total cpu time spent up to now is 241.2 secs Computing kpt #: 422 total cpu time spent up to now is 241.8 secs Computing kpt #: 423 total cpu time spent up to now is 242.4 secs Computing kpt #: 424 total cpu time spent up to now is 242.9 secs Computing kpt #: 425 total cpu time spent up to now is 243.4 secs Computing kpt #: 426 total cpu time spent up to now is 243.9 secs Computing kpt #: 427 total cpu time spent up to now is 244.3 secs Computing kpt #: 428 total cpu time spent up to now is 244.8 secs Computing kpt #: 429 total cpu time spent up to now is 245.2 secs Computing kpt #: 430 total cpu time spent up to now is 245.7 secs Computing kpt #: 431 total cpu time spent up to now is 246.1 secs Computing kpt #: 432 total cpu time spent up to now is 246.5 secs Computing kpt #: 433 total cpu time spent up to now is 246.9 secs Computing kpt #: 434 total cpu time spent up to now is 247.3 secs Computing kpt #: 435 total cpu time spent up to now is 247.6 secs Computing kpt #: 436 total cpu time spent up to now is 248.0 secs Computing kpt #: 437 total cpu time spent up to now is 248.4 secs Computing kpt #: 438 total cpu time spent up to now is 248.8 secs ethr = 3.33E-08, avg # of iterations = 57.6 total cpu time spent up to now is 248.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2366 -18.2366 -17.8504 -17.8504 -17.7892 -17.7892 -17.7506 -17.7506 -17.6976 -17.6976 -1.5131 -1.5131 3.3489 3.3489 6.8259 6.8259 8.0662 8.0662 8.5849 8.5849 9.1899 9.1899 10.2932 10.2932 10.7905 10.7905 11.3449 11.3449 11.9960 11.9960 12.1375 12.1375 k = 0.0063 0.0158-0.0000 ( 3145 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2367 -18.2367 -17.8504 -17.8504 -17.7893 -17.7893 -17.7507 -17.7507 -17.6976 -17.6976 -1.5121 -1.5121 3.3499 3.3499 6.8227 6.8227 8.0641 8.0641 8.5839 8.5839 9.1889 9.1889 10.2980 10.2980 10.7868 10.7868 11.3404 11.3404 11.9892 11.9892 12.1452 12.1452 k = 0.0126 0.0317-0.0000 ( 3145 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2368 -18.2368 -17.8504 -17.8504 -17.7893 -17.7893 -17.7508 -17.7508 -17.6976 -17.6976 -1.5091 -1.5091 3.3530 3.3530 6.8131 6.8131 8.0581 8.0581 8.5810 8.5810 9.1863 9.1863 10.3124 10.3124 10.7759 10.7759 11.3278 11.3278 11.9696 11.9696 12.1680 12.1680 k = 0.0189 0.0475-0.0000 ( 3149 PWs) bands (ev): -39.3115 -39.3115 -39.2826 -39.2826 -18.3279 -18.3279 -18.2371 -18.2371 -17.8504 -17.8504 -17.7894 -17.7894 -17.7510 -17.7510 -17.6977 -17.6977 -1.5041 -1.5041 3.3582 3.3582 6.7971 6.7971 8.0485 8.0485 8.5761 8.5761 9.1818 9.1818 10.3361 10.3361 10.7584 10.7584 11.3083 11.3083 11.9385 11.9385 12.2043 12.2043 k = 0.0252 0.0633-0.0000 ( 3153 PWs) bands (ev): -39.3115 -39.3115 -39.2827 -39.2827 -18.3278 -18.3278 -18.2374 -18.2374 -17.8503 -17.8503 -17.7895 -17.7895 -17.7514 -17.7514 -17.6977 -17.6977 -1.4970 -1.4970 3.3655 3.3655 6.7746 6.7746 8.0361 8.0361 8.5693 8.5693 9.1750 9.1750 10.3682 10.3682 10.7350 10.7350 11.2840 11.2840 11.8981 11.8981 12.2521 12.2524 k = 0.0315 0.0792-0.0000 ( 3153 PWs) bands (ev): -39.3114 -39.3114 -39.2827 -39.2827 -18.3278 -18.3278 -18.2378 -18.2378 -17.8502 -17.8502 -17.7896 -17.7896 -17.7518 -17.7518 -17.6978 -17.6978 -1.4880 -1.4880 3.3748 3.3748 6.7459 6.7459 8.0214 8.0214 8.5606 8.5606 9.1655 9.1655 10.4083 10.4083 10.7071 10.7071 11.2568 11.2568 11.8504 11.8504 12.3095 12.3196 k = 0.0378 0.0950-0.0000 ( 3161 PWs) bands (ev): -39.3113 -39.3113 -39.2827 -39.2827 -18.3277 -18.3277 -18.2383 -18.2383 -17.8501 -17.8501 -17.7898 -17.7898 -17.7523 -17.7523 -17.6979 -17.6979 -1.4771 -1.4771 3.3860 3.3860 6.7108 6.7108 8.0055 8.0055 8.5501 8.5501 9.1525 9.1525 10.4553 10.4553 10.6760 10.6760 11.2281 11.2281 11.7972 11.7972 12.3802 12.3825 k = 0.0441 0.1108-0.0000 ( 3161 PWs) bands (ev): -39.3112 -39.3112 -39.2828 -39.2828 -18.3276 -18.3276 -18.2389 -18.2389 -17.8500 -17.8500 -17.7899 -17.7899 -17.7528 -17.7528 -17.6979 -17.6979 -1.4642 -1.4642 3.3992 3.3992 6.6696 6.6696 7.9890 7.9890 8.5378 8.5378 9.1356 9.1356 10.5085 10.5085 10.6434 10.6434 11.1994 11.1994 11.7401 11.7401 12.3695 12.3695 k = 0.0503 0.1267-0.0000 ( 3157 PWs) bands (ev): -39.3111 -39.3111 -39.2828 -39.2828 -18.3275 -18.3275 -18.2395 -18.2395 -17.8499 -17.8499 -17.7901 -17.7901 -17.7534 -17.7534 -17.6980 -17.6980 -1.4495 -1.4495 3.4143 3.4143 6.6226 6.6226 7.9727 7.9727 8.5237 8.5237 9.1139 9.1139 10.5668 10.5668 10.6110 10.6110 11.1716 11.1716 11.6803 11.6803 12.3544 12.3545 k = 0.0566 0.1425-0.0000 ( 3157 PWs) bands (ev): -39.3110 -39.3110 -39.2829 -39.2829 -18.3274 -18.3274 -18.2403 -18.2403 -17.8497 -17.8497 -17.7903 -17.7903 -17.7541 -17.7541 -17.6982 -17.6982 -1.4330 -1.4330 3.4312 3.4312 6.5700 6.5700 7.9571 7.9571 8.5080 8.5080 9.0867 9.0867 10.5800 10.5800 10.6299 10.6299 11.1453 11.1453 11.6187 11.6187 12.3375 12.3375 k = 0.0629 0.1583-0.0000 ( 3163 PWs) bands (ev): -39.3108 -39.3108 -39.2829 -39.2829 -18.3273 -18.3273 -18.2411 -18.2411 -17.8496 -17.8496 -17.7905 -17.7905 -17.7549 -17.7549 -17.6983 -17.6983 -1.4147 -1.4147 3.4498 3.4498 6.5124 6.5124 7.9427 7.9427 8.4907 8.4907 9.0533 9.0533 10.5528 10.5528 10.6961 10.6961 11.1212 11.1212 11.5562 11.5562 12.3189 12.3189 k = 0.0692 0.1742-0.0000 ( 3163 PWs) bands (ev): -39.3107 -39.3107 -39.2830 -39.2830 -18.3272 -18.3272 -18.2420 -18.2420 -17.8494 -17.8494 -17.7908 -17.7908 -17.7557 -17.7557 -17.6985 -17.6985 -1.3948 -1.3948 3.4701 3.4701 6.4502 6.4502 7.9299 7.9299 8.4720 8.4720 9.0132 9.0132 10.5303 10.5303 10.7653 10.7653 11.0996 11.0996 11.4932 11.4932 12.2986 12.2986 k = 0.0755 0.1900-0.0000 ( 3159 PWs) bands (ev): -39.3105 -39.3105 -39.2831 -39.2831 -18.3270 -18.3270 -18.2429 -18.2429 -17.8492 -17.8492 -17.7910 -17.7910 -17.7565 -17.7565 -17.6986 -17.6986 -1.3732 -1.3732 3.4920 3.4920 6.3840 6.3840 7.9187 7.9187 8.4519 8.4519 8.9662 8.9662 10.5137 10.5137 10.8367 10.8367 11.0807 11.0807 11.4304 11.4304 12.2769 12.2769 k = 0.0818 0.2058-0.0000 ( 3155 PWs) bands (ev): -39.3103 -39.3103 -39.2832 -39.2832 -18.3268 -18.3268 -18.2439 -18.2439 -17.8489 -17.8489 -17.7913 -17.7913 -17.7574 -17.7574 -17.6988 -17.6988 -1.3501 -1.3501 3.5154 3.5154 6.3144 6.3144 7.9093 7.9093 8.4305 8.4305 8.9124 8.9124 10.5038 10.5038 10.9097 10.9097 11.0648 11.0648 11.3681 11.3681 12.2538 12.2538 k = 0.0881 0.2217-0.0000 ( 3155 PWs) bands (ev): -39.3101 -39.3101 -39.2832 -39.2832 -18.3266 -18.3266 -18.2450 -18.2450 -17.8487 -17.8487 -17.7916 -17.7916 -17.7582 -17.7582 -17.6990 -17.6990 -1.3256 -1.3256 3.5400 3.5400 6.2419 6.2419 7.9017 7.9017 8.4081 8.4081 8.8521 8.8521 10.5009 10.5009 10.9836 10.9836 11.0519 11.0519 11.3068 11.3068 12.2294 12.2294 k = 0.0944 0.2375-0.0000 ( 3147 PWs) bands (ev): -39.3099 -39.3099 -39.2833 -39.2833 -18.3264 -18.3264 -18.2461 -18.2461 -17.8485 -17.8485 -17.7919 -17.7919 -17.7591 -17.7591 -17.6993 -17.6993 -1.2997 -1.2997 3.5659 3.5659 6.1674 6.1674 7.8958 7.8958 8.3847 8.3847 8.7858 8.7858 10.5052 10.5052 11.0418 11.0418 11.0580 11.0580 11.2469 11.2469 12.2039 12.2039 k = 0.1007 0.2533-0.0000 ( 3143 PWs) bands (ev): -39.3097 -39.3097 -39.2834 -39.2834 -18.3262 -18.3262 -18.2473 -18.2473 -17.8482 -17.8482 -17.7922 -17.7922 -17.7600 -17.7600 -17.6995 -17.6995 -1.2726 -1.2726 3.5928 3.5928 6.0912 6.0912 7.8916 7.8916 8.3604 8.3604 8.7144 8.7144 10.5164 10.5164 11.0351 11.0351 11.1295 11.1295 11.1912 11.1912 12.1774 12.1774 k = 0.1070 0.2691-0.0000 ( 3133 PWs) bands (ev): -39.3094 -39.3094 -39.2835 -39.2835 -18.3259 -18.3259 -18.2486 -18.2486 -17.8479 -17.8479 -17.7926 -17.7926 -17.7609 -17.7609 -17.6998 -17.6998 -1.2443 -1.2443 3.6205 3.6205 6.0140 6.0140 7.8889 7.8889 8.3353 8.3353 8.6391 8.6391 10.5341 10.5341 11.0312 11.0312 11.1253 11.1253 11.2125 11.2125 12.1502 12.1502 k = 0.1133 0.2850-0.0000 ( 3129 PWs) bands (ev): -39.3092 -39.3092 -39.2837 -39.2837 -18.3256 -18.3256 -18.2498 -18.2498 -17.8476 -17.8476 -17.7930 -17.7930 -17.7618 -17.7618 -17.7001 -17.7001 -1.2150 -1.2150 3.6489 3.6489 5.9364 5.9364 7.8877 7.8877 8.3095 8.3095 8.5608 8.5608 10.5579 10.5579 11.0302 11.0302 11.0715 11.0715 11.2844 11.2844 12.1223 12.1223 k = 0.1196 0.3008-0.0000 ( 3127 PWs) bands (ev): -39.3090 -39.3090 -39.2838 -39.2838 -18.3254 -18.3254 -18.2512 -18.2512 -17.8472 -17.8472 -17.7934 -17.7934 -17.7626 -17.7626 -17.7004 -17.7004 -1.1849 -1.1849 3.6777 3.6777 5.8589 5.8589 7.8877 7.8877 8.2828 8.2828 8.4808 8.4808 10.5871 10.5871 11.0167 11.0167 11.0334 11.0334 11.3566 11.3566 12.0939 12.0939 k = 0.1259 0.3166-0.0000 ( 3135 PWs) bands (ev): -39.3087 -39.3087 -39.2839 -39.2839 -18.3251 -18.3251 -18.2526 -18.2526 -17.8469 -17.8469 -17.7939 -17.7939 -17.7635 -17.7635 -17.7008 -17.7008 -1.1540 -1.1540 3.7067 3.7067 5.7819 5.7819 7.8888 7.8888 8.2546 8.2546 8.4010 8.4010 10.6212 10.6212 10.9653 10.9653 11.0376 11.0376 11.4274 11.4274 12.0654 12.0654 k = 0.1322 0.3325-0.0000 ( 3135 PWs) bands (ev): -39.3084 -39.3084 -39.2841 -39.2841 -18.3247 -18.3247 -18.2540 -18.2540 -17.8466 -17.8466 -17.7944 -17.7944 -17.7642 -17.7642 -17.7012 -17.7012 -1.1225 -1.1225 3.7356 3.7356 5.7059 5.7059 7.8909 7.8909 8.2232 8.2232 8.3245 8.3245 10.6596 10.6596 10.9155 10.9155 11.0449 11.0449 11.4957 11.4957 12.0372 12.0372 k = 0.1385 0.3483-0.0000 ( 3137 PWs) bands (ev): -39.3082 -39.3082 -39.2842 -39.2842 -18.3244 -18.3244 -18.2554 -18.2554 -17.8462 -17.8462 -17.7949 -17.7949 -17.7649 -17.7649 -17.7016 -17.7016 -1.0906 -1.0906 3.7641 3.7641 5.6315 5.6315 7.8937 7.8937 8.1823 8.1823 8.2585 8.2585 10.7014 10.7014 10.8681 10.8681 11.0549 11.0549 11.5607 11.5607 12.0101 12.0101 k = 0.1448 0.3641-0.0000 ( 3133 PWs) bands (ev): -39.3079 -39.3079 -39.2844 -39.2844 -18.3240 -18.3240 -18.2568 -18.2568 -17.8458 -17.8458 -17.7955 -17.7955 -17.7656 -17.7656 -17.7021 -17.7021 -1.0585 -1.0585 3.7920 3.7920 5.5589 5.5589 7.8968 7.8968 8.1242 8.1242 8.2122 8.2122 10.7449 10.7449 10.8244 10.8244 11.0674 11.0674 11.6205 11.6205 11.9853 11.9853 k = 0.1510 0.3800-0.0000 ( 3133 PWs) bands (ev): -39.3076 -39.3076 -39.2845 -39.2845 -18.3236 -18.3236 -18.2583 -18.2583 -17.8454 -17.8454 -17.7961 -17.7961 -17.7661 -17.7661 -17.7025 -17.7025 -1.0262 -1.0262 3.8188 3.8188 5.4887 5.4887 7.8993 7.8993 8.0565 8.0565 8.1799 8.1799 10.7669 10.7669 10.8072 10.8072 11.0822 11.0822 11.6722 11.6722 11.9655 11.9655 k = 0.1573 0.3958-0.0000 ( 3135 PWs) bands (ev): -39.3073 -39.3073 -39.2847 -39.2847 -18.3232 -18.3232 -18.2597 -18.2597 -17.8450 -17.8450 -17.7968 -17.7968 -17.7666 -17.7666 -17.7031 -17.7031 -0.9940 -0.9940 3.8442 3.8442 5.4211 5.4211 7.8975 7.8975 7.9919 7.9919 8.1532 8.1532 10.7329 10.7329 10.8505 10.8505 11.0991 11.0991 11.7106 11.7106 11.9557 11.9557 k = 0.1636 0.4116-0.0000 ( 3131 PWs) bands (ev): -39.3070 -39.3070 -39.2849 -39.2849 -18.3228 -18.3228 -18.2612 -18.2612 -17.8445 -17.8445 -17.7975 -17.7975 -17.7670 -17.7670 -17.7036 -17.7036 -0.9621 -0.9621 3.8678 3.8678 5.3567 5.3567 7.8762 7.8762 7.9495 7.9495 8.1292 8.1292 10.6952 10.6952 10.9016 10.9016 11.1180 11.1180 11.7292 11.7292 11.9619 11.9619 k = 0.1699 0.4275-0.0000 ( 3115 PWs) bands (ev): -39.3067 -39.3067 -39.2851 -39.2851 -18.3222 -18.3222 -18.2626 -18.2626 -17.8440 -17.8440 -17.7981 -17.7981 -17.7673 -17.7673 -17.7041 -17.7041 -0.9307 -0.9307 3.8891 3.8891 5.2958 5.2958 7.8260 7.8260 7.9400 7.9400 8.1074 8.1074 10.6594 10.6594 10.9545 10.9545 11.1388 11.1388 11.7266 11.7266 11.9853 11.9853 k = 0.1762 0.4433-0.0000 ( 3119 PWs) bands (ev): -39.3064 -39.3064 -39.2853 -39.2853 -18.3217 -18.3217 -18.2640 -18.2640 -17.8435 -17.8435 -17.7989 -17.7989 -17.7675 -17.7675 -17.7047 -17.7047 -0.8999 -0.8999 3.9078 3.9078 5.2385 5.2385 7.7691 7.7691 7.9421 7.9421 8.0875 8.0875 10.6258 10.6258 11.0082 11.0082 11.1612 11.1612 11.7085 11.7085 12.0199 12.0199 k = 0.1825 0.4591-0.0000 ( 3123 PWs) bands (ev): -39.3061 -39.3061 -39.2855 -39.2855 -18.3212 -18.3212 -18.2654 -18.2654 -17.8429 -17.8429 -17.7997 -17.7997 -17.7677 -17.7677 -17.7054 -17.7054 -0.8700 -0.8700 3.9235 3.9235 5.1853 5.1853 7.7151 7.7151 7.9465 7.9465 8.0700 8.0700 10.5947 10.5947 11.0621 11.0621 11.1853 11.1853 11.6812 11.6812 12.0587 12.0587 k = 0.1888 0.4750-0.0000 ( 3129 PWs) bands (ev): -39.3058 -39.3058 -39.2857 -39.2857 -18.3207 -18.3207 -18.2668 -18.2668 -17.8424 -17.8424 -17.8005 -17.8005 -17.7678 -17.7678 -17.7060 -17.7060 -0.8412 -0.8412 3.9356 3.9356 5.1365 5.1365 7.6665 7.6665 7.9508 7.9508 8.0554 8.0554 10.5661 10.5661 11.1155 11.1155 11.2108 11.2108 11.6486 11.6486 12.0977 12.0977 k = 0.1951 0.4908-0.0000 ( 3129 PWs) bands (ev): -39.3055 -39.3055 -39.2859 -39.2859 -18.3201 -18.3201 -18.2682 -18.2682 -17.8418 -17.8418 -17.8013 -17.8013 -17.7677 -17.7677 -17.7067 -17.7067 -0.8136 -0.8136 3.9439 3.9439 5.0924 5.0924 7.6245 7.6245 7.9535 7.9535 8.0447 8.0447 10.5401 10.5401 11.1678 11.1678 11.2377 11.2377 11.6128 11.6128 12.1343 12.1346 k = 0.2014 0.5066-0.0000 ( 3127 PWs) bands (ev): -39.3052 -39.3052 -39.2861 -39.2861 -18.3195 -18.3195 -18.2695 -18.2695 -17.8411 -17.8411 -17.8021 -17.8021 -17.7677 -17.7677 -17.7074 -17.7074 -0.7875 -0.7875 3.9479 3.9479 5.0532 5.0532 7.5898 7.5898 7.9533 7.9533 8.0391 8.0391 10.5168 10.5168 11.2185 11.2185 11.2657 11.2657 11.5746 11.5746 12.1238 12.1239 k = 0.2077 0.5225-0.0000 ( 3113 PWs) bands (ev): -39.3049 -39.3049 -39.2864 -39.2864 -18.3188 -18.3188 -18.2708 -18.2708 -17.8404 -17.8404 -17.8028 -17.8028 -17.7675 -17.7675 -17.7082 -17.7082 -0.7629 -0.7629 3.9475 3.9475 5.0194 5.0194 7.5630 7.5630 7.9498 7.9498 8.0389 8.0389 10.4961 10.4961 11.2668 11.2668 11.2950 11.2950 11.5348 11.5348 12.1019 12.1019 k = 0.2140 0.5383-0.0000 ( 3117 PWs) bands (ev): -39.3046 -39.3046 -39.2866 -39.2866 -18.3181 -18.3181 -18.2720 -18.2720 -17.8397 -17.8397 -17.8036 -17.8036 -17.7673 -17.7673 -17.7089 -17.7089 -0.7403 -0.7403 3.9422 3.9422 4.9909 4.9909 7.5444 7.5444 7.9437 7.9437 8.0432 8.0432 10.4782 10.4782 11.3113 11.3113 11.3262 11.3262 11.4937 11.4937 12.0785 12.0785 k = 0.2203 0.5541-0.0000 ( 3121 PWs) bands (ev): -39.3043 -39.3043 -39.2869 -39.2869 -18.3174 -18.3174 -18.2732 -18.2732 -17.8390 -17.8390 -17.8043 -17.8043 -17.7671 -17.7671 -17.7097 -17.7097 -0.7196 -0.7196 3.9320 3.9320 4.9682 4.9682 7.5344 7.5344 7.9362 7.9362 8.0507 8.0507 10.4629 10.4629 11.3484 11.3484 11.3619 11.3619 11.4520 11.4520 12.0524 12.0524 k = 0.2266 0.5700-0.0000 ( 3133 PWs) bands (ev): -39.3040 -39.3040 -39.2871 -39.2871 -18.3167 -18.3167 -18.2744 -18.2744 -17.8383 -17.8383 -17.8050 -17.8050 -17.7668 -17.7668 -17.7105 -17.7105 -0.7010 -0.7010 3.9169 3.9169 4.9513 4.9513 7.5330 7.5330 7.9286 7.9286 8.0603 8.0603 10.4504 10.4504 11.3763 11.3763 11.3997 11.3997 11.4138 11.4138 12.0224 12.0225 k = 0.2329 0.5858-0.0000 ( 3139 PWs) bands (ev): -39.3037 -39.3037 -39.2874 -39.2874 -18.3159 -18.3159 -18.2755 -18.2755 -17.8376 -17.8376 -17.8057 -17.8057 -17.7665 -17.7665 -17.7114 -17.7114 -0.6847 -0.6847 3.8968 3.8968 4.9405 4.9405 7.5403 7.5403 7.9216 7.9216 8.0713 8.0713 10.4406 10.4406 11.3581 11.3581 11.4187 11.4187 11.4364 11.4364 11.9872 11.9872 k = 0.2392 0.6016-0.0000 ( 3141 PWs) bands (ev): -39.3034 -39.3034 -39.2876 -39.2876 -18.3151 -18.3151 -18.2765 -18.2765 -17.8368 -17.8368 -17.8063 -17.8063 -17.7661 -17.7661 -17.7122 -17.7122 -0.6708 -0.6708 3.8719 3.8719 4.9359 4.9359 7.5563 7.5563 7.9156 7.9156 8.0833 8.0833 10.4336 10.4336 11.3152 11.3152 11.4483 11.4483 11.4694 11.4694 11.9457 11.9457 k = 0.2455 0.6175-0.0000 ( 3149 PWs) bands (ev): -39.3031 -39.3031 -39.2879 -39.2879 -18.3143 -18.3143 -18.2775 -18.2775 -17.8359 -17.8359 -17.8069 -17.8069 -17.7657 -17.7657 -17.7132 -17.7132 -0.6593 -0.6593 3.8424 3.8424 4.9375 4.9375 7.5806 7.5806 7.9110 7.9110 8.0959 8.0959 10.4294 10.4294 11.2703 11.2703 11.4789 11.4789 11.4991 11.4991 11.8975 11.8975 k = 0.2517 0.6333-0.0000 ( 3141 PWs) bands (ev): -39.3029 -39.3029 -39.2882 -39.2882 -18.3134 -18.3134 -18.2784 -18.2784 -17.8351 -17.8351 -17.8074 -17.8074 -17.7653 -17.7653 -17.7140 -17.7140 -0.6503 -0.6503 3.8086 3.8086 4.9456 4.9456 7.6131 7.6131 7.9079 7.9079 8.1091 8.1091 10.4279 10.4279 11.2247 11.2247 11.5093 11.5093 11.5261 11.5261 11.8428 11.8428 k = 0.2580 0.6491-0.0000 ( 3137 PWs) bands (ev): -39.3026 -39.3026 -39.2885 -39.2885 -18.3125 -18.3125 -18.2793 -18.2793 -17.8341 -17.8341 -17.8078 -17.8078 -17.7648 -17.7648 -17.7150 -17.7150 -0.6439 -0.6439 3.7707 3.7707 4.9602 4.9602 7.6532 7.6532 7.9067 7.9067 8.1225 8.1225 10.4292 10.4292 11.1786 11.1786 11.5380 11.5380 11.5513 11.5513 11.7827 11.7827 k = 0.2643 0.6650-0.0000 ( 3139 PWs) bands (ev): -39.3023 -39.3023 -39.2887 -39.2887 -18.3116 -18.3116 -18.2801 -18.2801 -17.8333 -17.8333 -17.8082 -17.8082 -17.7644 -17.7644 -17.7159 -17.7159 -0.6400 -0.6400 3.7292 3.7292 4.9811 4.9811 7.7000 7.7000 7.9078 7.9078 8.1362 8.1362 10.4333 10.4333 11.1324 11.1324 11.5621 11.5621 11.5772 11.5772 11.7187 11.7187 k = 0.2706 0.6808-0.0000 ( 3137 PWs) bands (ev): -39.3021 -39.3021 -39.2890 -39.2890 -18.3107 -18.3107 -18.2808 -18.2808 -17.8323 -17.8323 -17.8084 -17.8084 -17.7639 -17.7639 -17.7168 -17.7168 -0.6386 -0.6386 3.6845 3.6845 5.0085 5.0085 7.7523 7.7523 7.9121 7.9121 8.1501 8.1501 10.4401 10.4401 11.0862 11.0862 11.5772 11.5772 11.6046 11.6046 11.6557 11.6557 k = 0.2769 0.6966-0.0000 ( 3141 PWs) bands (ev): -39.3018 -39.3018 -39.2893 -39.2893 -18.3097 -18.3097 -18.2815 -18.2815 -17.8314 -17.8314 -17.8086 -17.8086 -17.7634 -17.7634 -17.7178 -17.7178 -0.6397 -0.6397 3.6369 3.6369 5.0422 5.0422 7.8067 7.8067 7.9226 7.9226 8.1641 8.1641 10.4496 10.4496 11.0400 11.0400 11.5571 11.5571 11.6190 11.6190 11.6358 11.6358 k = 0.2832 0.7124-0.0000 ( 3143 PWs) bands (ev): -39.3016 -39.3016 -39.2896 -39.2896 -18.3088 -18.3088 -18.2820 -18.2820 -17.8305 -17.8305 -17.8087 -17.8087 -17.7629 -17.7629 -17.7187 -17.7187 -0.6432 -0.6432 3.5870 3.5870 5.0823 5.0823 7.8541 7.8541 7.9477 7.9477 8.1782 8.1782 10.4620 10.4620 10.9940 10.9940 11.4928 11.4928 11.6275 11.6275 11.6620 11.6620 k = 0.2895 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2826 -18.2826 -17.8295 -17.8295 -17.8088 -17.8088 -17.7624 -17.7624 -17.7197 -17.7197 -0.6489 -0.6489 3.5351 3.5351 5.1285 5.1285 7.8831 7.8831 7.9985 7.9985 8.1925 8.1925 10.4770 10.4770 10.9482 10.9482 11.4210 11.4210 11.6406 11.6406 11.6883 11.6883 k = 0.2895 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2826 -18.2826 -17.8295 -17.8295 -17.8088 -17.8088 -17.7624 -17.7624 -17.7197 -17.7197 -0.6489 -0.6489 3.5351 3.5351 5.1285 5.1285 7.8831 7.8831 7.9985 7.9985 8.1925 8.1925 10.4770 10.4770 10.9482 10.9482 11.4210 11.4210 11.6406 11.6406 11.6883 11.6883 k = 0.2725 0.7283-0.0000 ( 3142 PWs) bands (ev): -39.3014 -39.3014 -39.2898 -39.2898 -18.3082 -18.3082 -18.2824 -18.2824 -17.8300 -17.8300 -17.8087 -17.8087 -17.7626 -17.7626 -17.7193 -17.7193 -0.6467 -0.6467 3.5544 3.5544 5.1129 5.1129 7.8696 7.8696 7.9668 7.9668 8.1990 8.1990 10.4702 10.4702 10.9633 10.9633 11.4521 11.4521 11.6366 11.6366 11.6802 11.6802 k = 0.2554 0.7283-0.0000 ( 3145 PWs) bands (ev): -39.3015 -39.3015 -39.2897 -39.2897 -18.3086 -18.3086 -18.2821 -18.2821 -17.8305 -17.8305 -17.8085 -17.8085 -17.7629 -17.7629 -17.7189 -17.7189 -0.6452 -0.6452 3.5730 3.5730 5.1026 5.1026 7.8351 7.8351 7.9368 7.9368 8.2199 8.2199 10.4620 10.4620 10.9748 10.9748 11.4912 11.4912 11.6349 11.6349 11.6750 11.6750 k = 0.2384 0.7283-0.0000 ( 3146 PWs) bands (ev): -39.3017 -39.3017 -39.2895 -39.2895 -18.3091 -18.3091 -18.2818 -18.2818 -17.8311 -17.8311 -17.8082 -17.8082 -17.7632 -17.7632 -17.7184 -17.7184 -0.6442 -0.6442 3.5906 3.5906 5.0978 5.0978 7.7760 7.7760 7.9223 7.9223 8.2456 8.2456 10.4524 10.4524 10.9831 10.9831 11.5355 11.5355 11.6370 11.6370 11.6727 11.6727 k = 0.2214 0.7283-0.0000 ( 3148 PWs) bands (ev): -39.3018 -39.3018 -39.2894 -39.2894 -18.3096 -18.3096 -18.2815 -18.2815 -17.8317 -17.8317 -17.8079 -17.8079 -17.7635 -17.7635 -17.7180 -17.7180 -0.6438 -0.6438 3.6068 3.6068 5.0986 5.0986 7.7039 7.7039 7.9162 7.9162 8.2718 8.2718 10.4416 10.4416 10.9889 10.9889 11.5774 11.5774 11.6484 11.6484 11.6737 11.6737 k = 0.2044 0.7283-0.0000 ( 3140 PWs) bands (ev): -39.3019 -39.3019 -39.2892 -39.2892 -18.3100 -18.3100 -18.2811 -18.2811 -17.8324 -17.8324 -17.8074 -17.8074 -17.7639 -17.7639 -17.7175 -17.7175 -0.6437 -0.6437 3.6213 3.6213 5.1049 5.1049 7.6266 7.6266 7.9136 7.9136 8.2970 8.2970 10.4300 10.4300 10.9931 10.9931 11.6023 11.6023 11.6727 11.6727 11.6870 11.6870 k = 0.1873 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3021 -39.3021 -39.2891 -39.2891 -18.3105 -18.3105 -18.2808 -18.2808 -17.8330 -17.8330 -17.8070 -17.8070 -17.7642 -17.7642 -17.7170 -17.7170 -0.6439 -0.6439 3.6340 3.6340 5.1164 5.1164 7.5473 7.5473 7.9124 7.9124 8.3203 8.3203 10.4177 10.4177 10.9960 10.9960 11.6124 11.6124 11.6807 11.6807 11.7375 11.7375 k = 0.1703 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3022 -39.3022 -39.2889 -39.2889 -18.3109 -18.3109 -18.2804 -18.2804 -17.8337 -17.8337 -17.8065 -17.8065 -17.7646 -17.7646 -17.7165 -17.7165 -0.6444 -0.6444 3.6449 3.6449 5.1327 5.1327 7.4680 7.4680 7.9120 7.9120 8.3416 8.3416 10.4050 10.4050 10.9982 10.9982 11.6183 11.6183 11.6885 11.6885 11.7957 11.7957 k = 0.1533 0.7283-0.0000 ( 3139 PWs) bands (ev): -39.3023 -39.3023 -39.2888 -39.2888 -18.3113 -18.3113 -18.2801 -18.2801 -17.8343 -17.8343 -17.8060 -17.8060 -17.7650 -17.7650 -17.7161 -17.7161 -0.6451 -0.6451 3.6539 3.6539 5.1531 5.1531 7.3900 7.3900 7.9121 7.9121 8.3604 8.3604 10.3923 10.3923 10.9999 10.9999 11.6235 11.6235 11.6978 11.6978 11.8540 11.8540 k = 0.1362 0.7283-0.0000 ( 3144 PWs) bands (ev): -39.3024 -39.3024 -39.2886 -39.2886 -18.3117 -18.3117 -18.2798 -18.2798 -17.8350 -17.8350 -17.8055 -17.8055 -17.7653 -17.7653 -17.7157 -17.7157 -0.6459 -0.6459 3.6612 3.6612 5.1767 5.1767 7.3147 7.3147 7.9125 7.9125 8.3770 8.3770 10.3800 10.3800 11.0013 11.0013 11.6290 11.6290 11.7081 11.7081 11.9095 11.9095 k = 0.1192 0.7283-0.0000 ( 3146 PWs) bands (ev): -39.3026 -39.3026 -39.2885 -39.2885 -18.3121 -18.3121 -18.2796 -18.2796 -17.8356 -17.8356 -17.8051 -17.8051 -17.7657 -17.7657 -17.7153 -17.7153 -0.6468 -0.6468 3.6669 3.6669 5.2025 5.2025 7.2433 7.2433 7.9131 7.9131 8.3913 8.3913 10.3682 10.3682 11.0025 11.0025 11.6348 11.6348 11.7189 11.7189 11.9598 11.9598 k = 0.1022 0.7283-0.0000 ( 3147 PWs) bands (ev): -39.3027 -39.3027 -39.2884 -39.2884 -18.3124 -18.3124 -18.2793 -18.2793 -17.8361 -17.8361 -17.8046 -17.8046 -17.7660 -17.7660 -17.7149 -17.7149 -0.6477 -0.6477 3.6713 3.6713 5.2294 5.2294 7.1771 7.1771 7.9137 7.9137 8.4034 8.4034 10.3574 10.3574 11.0035 11.0035 11.6409 11.6409 11.7297 11.7297 12.0034 12.0034 k = 0.0851 0.7283-0.0000 ( 3149 PWs) bands (ev): -39.3027 -39.3027 -39.2883 -39.2883 -18.3127 -18.3127 -18.2791 -18.2791 -17.8365 -17.8365 -17.8043 -17.8043 -17.7663 -17.7663 -17.7146 -17.7146 -0.6485 -0.6485 3.6745 3.6745 5.2558 5.2558 7.1175 7.1175 7.9144 7.9144 8.4134 8.4134 10.3478 10.3478 11.0043 11.0043 11.6469 11.6469 11.7400 11.7400 12.0397 12.0397 k = 0.0681 0.7283-0.0000 ( 3151 PWs) bands (ev): -39.3028 -39.3028 -39.2882 -39.2882 -18.3129 -18.3129 -18.2789 -18.2789 -17.8369 -17.8369 -17.8039 -17.8039 -17.7665 -17.7665 -17.7144 -17.7144 -0.6492 -0.6492 3.6768 3.6768 5.2804 5.2804 7.0659 7.0659 7.9150 7.9150 8.4214 8.4214 10.3397 10.3397 11.0049 11.0049 11.6525 11.6525 11.7492 11.7492 12.0684 12.0684 k = 0.0511 0.7283-0.0000 ( 3155 PWs) bands (ev): -39.3029 -39.3029 -39.2882 -39.2882 -18.3131 -18.3131 -18.2788 -18.2788 -17.8372 -17.8372 -17.8037 -17.8037 -17.7667 -17.7667 -17.7142 -17.7142 -0.6498 -0.6498 3.6783 3.6783 5.3015 5.3015 7.0238 7.0238 7.9156 7.9156 8.4276 8.4276 10.3331 10.3331 11.0054 11.0054 11.6574 11.6574 11.7569 11.7569 12.0898 12.0898 k = 0.0341 0.7283-0.0000 ( 3155 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3132 -18.3132 -18.2787 -18.2787 -17.8374 -17.8374 -17.8035 -17.8035 -17.7668 -17.7668 -17.7140 -17.7140 -0.6503 -0.6503 3.6793 3.6793 5.3179 5.3179 6.9925 6.9925 7.9160 7.9160 8.4319 8.4319 10.3283 10.3283 11.0058 11.0058 11.6611 11.6611 11.7628 11.7628 12.1045 12.1045 k = 0.0170 0.7283-0.0000 ( 3154 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2786 -18.2786 -17.8376 -17.8376 -17.8034 -17.8034 -17.7669 -17.7669 -17.7139 -17.7139 -0.6506 -0.6506 3.6799 3.6799 5.3283 5.3283 6.9733 6.9733 7.9162 7.9162 8.4345 8.4345 10.3254 10.3254 11.0059 11.0059 11.6635 11.6635 11.7664 11.7664 12.1132 12.1132 k = 0.0000 0.7283-0.0000 ( 3154 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2786 -18.2786 -17.8376 -17.8376 -17.8033 -17.8033 -17.7670 -17.7670 -17.7139 -17.7139 -0.6507 -0.6507 3.6800 3.6800 5.3318 5.3318 6.9668 6.9668 7.9163 7.9163 8.4353 8.4353 10.3245 10.3245 11.0060 11.0060 11.6643 11.6643 11.7676 11.7676 12.1160 12.1160 k = 0.0000 0.7283-0.0000 ( 3154 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2786 -18.2786 -17.8376 -17.8376 -17.8033 -17.8033 -17.7670 -17.7670 -17.7139 -17.7139 -0.6507 -0.6507 3.6800 3.6800 5.3318 5.3318 6.9668 6.9668 7.9163 7.9163 8.4353 8.4353 10.3245 10.3245 11.0060 11.0060 11.6643 11.6643 11.7676 11.7676 12.1160 12.1160 k = 0.0000 0.7283 0.0172 ( 3152 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2786 -18.2786 -17.8376 -17.8376 -17.8033 -17.8033 -17.7670 -17.7670 -17.7139 -17.7139 -0.6494 -0.6494 3.6796 3.6796 5.3326 5.3326 6.9680 6.9680 7.9106 7.9106 8.4343 8.4343 10.3224 10.3224 11.0045 11.0045 11.6682 11.6682 11.7679 11.7679 12.1167 12.1167 k = 0.0000 0.7283 0.0343 ( 3152 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2787 -18.2787 -17.8377 -17.8377 -17.8033 -17.8033 -17.7671 -17.7671 -17.7141 -17.7141 -0.6458 -0.6458 3.6782 3.6782 5.3351 5.3351 6.9718 6.9718 7.8937 7.8937 8.4313 8.4313 10.3162 10.3162 11.0000 11.0000 11.6798 11.6798 11.7687 11.7687 12.1186 12.1186 k = 0.0000 0.7283 0.0515 ( 3152 PWs) bands (ev): -39.3029 -39.3029 -39.2881 -39.2881 -18.3133 -18.3133 -18.2788 -18.2788 -17.8377 -17.8377 -17.8033 -17.8033 -17.7673 -17.7673 -17.7144 -17.7144 -0.6397 -0.6397 3.6758 3.6758 5.3392 5.3392 6.9780 6.9780 7.8661 7.8661 8.4261 8.4261 10.3060 10.3060 10.9925 10.9925 11.6986 11.6986 11.7702 11.7702 12.1219 12.1219 k = 0.0000 0.7283 0.0686 ( 3158 PWs) bands (ev): -39.3028 -39.3028 -39.2881 -39.2881 -18.3133 -18.3133 -18.2790 -18.2790 -17.8378 -17.8378 -17.8033 -17.8033 -17.7675 -17.7675 -17.7147 -17.7147 -0.6313 -0.6313 3.6723 3.6723 5.3449 5.3449 6.9866 6.9866 7.8287 7.8287 8.4190 8.4190 10.2919 10.2919 10.9817 10.9817 11.7239 11.7239 11.7724 11.7724 12.1264 12.1264 k = 0.0000 0.7283 0.0858 ( 3150 PWs) bands (ev): -39.3027 -39.3027 -39.2881 -39.2881 -18.3133 -18.3133 -18.2792 -18.2792 -17.8379 -17.8379 -17.8033 -17.8033 -17.7678 -17.7678 -17.7151 -17.7151 -0.6203 -0.6203 3.6676 3.6676 5.3523 5.3523 6.9977 6.9977 7.7826 7.7826 8.4100 8.4100 10.2739 10.2739 10.9678 10.9678 11.7545 11.7545 11.7760 11.7760 12.1323 12.1323 k = 0.0000 0.7283 0.1030 ( 3150 PWs) bands (ev): -39.3026 -39.3026 -39.2881 -39.2881 -18.3133 -18.3133 -18.2794 -18.2794 -17.8381 -17.8381 -17.8032 -17.8032 -17.7682 -17.7682 -17.7157 -17.7157 -0.6070 -0.6070 3.6614 3.6614 5.3614 5.3614 7.0111 7.0111 7.7290 7.7290 8.3989 8.3989 10.2521 10.2521 10.9509 10.9509 11.7771 11.7771 11.7933 11.7933 12.1397 12.1397 k = 0.0000 0.7283 0.1201 ( 3150 PWs) bands (ev): -39.3025 -39.3025 -39.2881 -39.2881 -18.3133 -18.3133 -18.2797 -18.2797 -17.8383 -17.8383 -17.8032 -17.8032 -17.7687 -17.7687 -17.7163 -17.7163 -0.5913 -0.5913 3.6536 3.6536 5.3721 5.3721 7.0266 7.0266 7.6694 7.6694 8.3858 8.3858 10.2269 10.2269 10.9309 10.9309 11.7833 11.7833 11.8317 11.8317 12.1485 12.1485 k = 0.0000 0.7283 0.1373 ( 3148 PWs) bands (ev): -39.3023 -39.3023 -39.2881 -39.2881 -18.3133 -18.3133 -18.2800 -18.2800 -17.8385 -17.8385 -17.8032 -17.8032 -17.7692 -17.7692 -17.7170 -17.7170 -0.5731 -0.5731 3.6440 3.6440 5.3845 5.3845 7.0443 7.0443 7.6051 7.6051 8.3708 8.3708 10.1984 10.1984 10.9081 10.9081 11.7898 11.7898 11.8734 11.8734 12.1589 12.1589 k = 0.0000 0.7283 0.1544 ( 3146 PWs) bands (ev): -39.3022 -39.3022 -39.2881 -39.2881 -18.3133 -18.3133 -18.2804 -18.2804 -17.8387 -17.8387 -17.8032 -17.8032 -17.7697 -17.7697 -17.7177 -17.7177 -0.5525 -0.5525 3.6322 3.6322 5.3987 5.3987 7.0639 7.0639 7.5378 7.5378 8.3538 8.3538 10.1667 10.1667 10.8826 10.8826 11.7977 11.7977 11.9164 11.9164 12.1710 12.1710 k = 0.0000 0.7283 0.1716 ( 3146 PWs) bands (ev): -39.3020 -39.3020 -39.2882 -39.2882 -18.3133 -18.3133 -18.2808 -18.2808 -17.8389 -17.8389 -17.8032 -17.8032 -17.7703 -17.7703 -17.7186 -17.7186 -0.5296 -0.5296 3.6179 3.6179 5.4145 5.4145 7.0853 7.0853 7.4688 7.4688 8.3349 8.3349 10.1323 10.1323 10.8548 10.8548 11.8072 11.8072 11.9594 11.9594 12.1852 12.1852 k = 0.0000 0.7283 0.1887 ( 3146 PWs) bands (ev): -39.3018 -39.3018 -39.2882 -39.2882 -18.3133 -18.3133 -18.2813 -18.2813 -17.8391 -17.8391 -17.8032 -17.8032 -17.7709 -17.7709 -17.7195 -17.7195 -0.5042 -0.5042 3.6009 3.6009 5.4321 5.4321 7.1079 7.1079 7.3996 7.3996 8.3141 8.3141 10.0952 10.0952 10.8248 10.8248 11.8184 11.8184 12.0012 12.0012 12.2018 12.2018 k = 0.0000 0.7283 0.2059 ( 3144 PWs) bands (ev): -39.3016 -39.3016 -39.2882 -39.2882 -18.3132 -18.3132 -18.2818 -18.2818 -17.8394 -17.8394 -17.8033 -17.8033 -17.7715 -17.7715 -17.7205 -17.7205 -0.4764 -0.4764 3.5807 3.5807 5.4515 5.4515 7.1312 7.1312 7.3321 7.3321 8.2913 8.2913 10.0560 10.0560 10.7929 10.7929 11.8314 11.8314 12.0407 12.0407 12.2213 12.2213 k = 0.0000 0.7283 0.2231 ( 3146 PWs) bands (ev): -39.3013 -39.3013 -39.2882 -39.2882 -18.3132 -18.3132 -18.2823 -18.2823 -17.8396 -17.8396 -17.8034 -17.8034 -17.7722 -17.7722 -17.7216 -17.7216 -0.4462 -0.4462 3.5571 3.5571 5.4726 5.4726 7.1524 7.1524 7.2697 7.2697 8.2668 8.2668 10.0149 10.0149 10.7594 10.7594 11.8464 11.8464 12.0770 12.0770 12.2441 12.2441 k = 0.0000 0.7283 0.2402 ( 3148 PWs) bands (ev): -39.3011 -39.3011 -39.2882 -39.2882 -18.3132 -18.3132 -18.2829 -18.2829 -17.8399 -17.8399 -17.8035 -17.8035 -17.7728 -17.7728 -17.7228 -17.7228 -0.4137 -0.4137 3.5297 3.5297 5.4955 5.4955 7.1571 7.1571 7.2278 7.2278 8.2404 8.2404 9.9721 9.9721 10.7244 10.7244 11.8635 11.8635 12.1094 12.1094 12.2705 12.2705 k = 0.0000 0.7283 0.2574 ( 3154 PWs) bands (ev): -39.3008 -39.3008 -39.2883 -39.2883 -18.3132 -18.3132 -18.2835 -18.2835 -17.8401 -17.8401 -17.8038 -17.8038 -17.7734 -17.7734 -17.7240 -17.7240 -0.3788 -0.3788 3.4982 3.4982 5.5201 5.5201 7.1190 7.1190 7.2330 7.2330 8.2124 8.2124 9.9280 9.9280 10.6881 10.6881 11.8827 11.8827 12.1378 12.1378 12.3003 12.3003 k = 0.0000 0.7283 0.2745 ( 3148 PWs) bands (ev): -39.3006 -39.3006 -39.2883 -39.2883 -18.3132 -18.3132 -18.2842 -18.2842 -17.8404 -17.8404 -17.8040 -17.8040 -17.7739 -17.7739 -17.7252 -17.7252 -0.3415 -0.3415 3.4625 3.4625 5.5466 5.5466 7.0674 7.0674 7.2567 7.2567 8.1830 8.1830 9.8829 9.8829 10.6508 10.6508 11.9040 11.9040 12.1628 12.1628 12.3328 12.3328 k = 0.0000 0.7283 0.2917 ( 3150 PWs) bands (ev): -39.3003 -39.3003 -39.2883 -39.2883 -18.3131 -18.3131 -18.2849 -18.2849 -17.8406 -17.8406 -17.8044 -17.8044 -17.7744 -17.7744 -17.7265 -17.7265 -0.3018 -0.3018 3.4221 3.4221 5.5748 5.5748 7.0175 7.0175 7.2838 7.2838 8.1524 8.1524 9.8372 9.8372 10.6125 10.6125 11.9274 11.9274 12.1850 12.1850 12.3672 12.3672 k = 0.0000 0.7283 0.3089 ( 3144 PWs) bands (ev): -39.3000 -39.3000 -39.2884 -39.2884 -18.3131 -18.3131 -18.2856 -18.2856 -17.8408 -17.8408 -17.8048 -17.8048 -17.7749 -17.7749 -17.7278 -17.7278 -0.2598 -0.2598 3.3771 3.3771 5.6048 5.6048 6.9723 6.9723 7.3114 7.3114 8.1208 8.1208 9.7913 9.7913 10.5734 10.5734 11.9530 11.9530 12.2053 12.2053 12.4026 12.4026 k = 0.0000 0.7283 0.3260 ( 3142 PWs) bands (ev): -39.2997 -39.2997 -39.2884 -39.2884 -18.3130 -18.3130 -18.2863 -18.2863 -17.8409 -17.8409 -17.8053 -17.8053 -17.7752 -17.7752 -17.7291 -17.7291 -0.2155 -0.2155 3.3274 3.3274 5.6365 5.6365 6.9327 6.9327 7.3383 7.3383 8.0886 8.0886 9.7453 9.7453 10.5336 10.5336 11.9807 11.9807 12.2243 12.2243 12.4383 12.4383 k = 0.0000 0.7283 0.3432 ( 3144 PWs) bands (ev): -39.2994 -39.2994 -39.2885 -39.2885 -18.3130 -18.3130 -18.2871 -18.2871 -17.8411 -17.8411 -17.8059 -17.8059 -17.7755 -17.7755 -17.7305 -17.7305 -0.1688 -0.1688 3.2728 3.2728 5.6699 5.6699 6.8994 6.8994 7.3636 7.3636 8.0564 8.0564 9.6997 9.6997 10.4932 10.4932 12.0104 12.0104 12.2423 12.2423 12.4741 12.4741 k = 0.0000 0.7283 0.3603 ( 3140 PWs) bands (ev): -39.2990 -39.2990 -39.2885 -39.2885 -18.3129 -18.3129 -18.2879 -18.2879 -17.8412 -17.8412 -17.8066 -17.8066 -17.7757 -17.7757 -17.7319 -17.7319 -0.1199 -0.1199 3.2136 3.2136 5.7049 5.7049 6.8725 6.8725 7.3863 7.3863 8.0248 8.0248 9.6549 9.6549 10.4523 10.4523 12.0420 12.0420 12.2596 12.2596 12.5095 12.5095 k = 0.0000 0.7283 0.3775 ( 3140 PWs) bands (ev): -39.2987 -39.2987 -39.2886 -39.2886 -18.3128 -18.3128 -18.2888 -18.2888 -17.8413 -17.8413 -17.8073 -17.8073 -17.7758 -17.7758 -17.7333 -17.7333 -0.0686 -0.0686 3.1497 3.1497 5.7414 5.7414 6.8522 6.8522 7.4051 7.4051 7.9945 7.9945 9.6113 9.6113 10.4109 10.4109 12.0753 12.0753 12.2765 12.2765 12.5445 12.5445 k = 0.0000 0.7283 0.3946 ( 3136 PWs) bands (ev): -39.2984 -39.2984 -39.2887 -39.2887 -18.3127 -18.3127 -18.2896 -18.2896 -17.8414 -17.8414 -17.8082 -17.8082 -17.7758 -17.7758 -17.7348 -17.7348 -0.0151 -0.0151 3.0816 3.0816 5.7795 5.7795 6.8385 6.8385 7.4188 7.4188 7.9665 7.9665 9.5692 9.5692 10.3691 10.3691 12.1103 12.1103 12.2930 12.2930 12.5790 12.5790 k = 0.0000 0.7283 0.4118 ( 3140 PWs) bands (ev): -39.2980 -39.2980 -39.2888 -39.2888 -18.3126 -18.3126 -18.2905 -18.2905 -17.8414 -17.8414 -17.8092 -17.8092 -17.7757 -17.7757 -17.7362 -17.7362 0.0407 0.0407 3.0093 3.0093 5.8190 5.8190 6.8313 6.8313 7.4262 7.4262 7.9416 7.9416 9.5292 9.5292 10.3270 10.3270 12.1466 12.1466 12.3093 12.3093 12.6130 12.6130 k = 0.0000 0.7283 0.4290 ( 3140 PWs) bands (ev): -39.2977 -39.2977 -39.2889 -39.2889 -18.3125 -18.3125 -18.2914 -18.2914 -17.8413 -17.8413 -17.8102 -17.8102 -17.7755 -17.7755 -17.7377 -17.7377 0.0988 0.0988 2.9333 2.9333 5.8598 5.8598 6.8306 6.8306 7.4259 7.4259 7.9206 7.9206 9.4917 9.4917 10.2846 10.2846 12.1840 12.1840 12.3253 12.3253 12.6465 12.6465 k = 0.0000 0.7283 0.4461 ( 3142 PWs) bands (ev): -39.2973 -39.2973 -39.2890 -39.2890 -18.3124 -18.3124 -18.2923 -18.2923 -17.8412 -17.8412 -17.8114 -17.8114 -17.7752 -17.7752 -17.7392 -17.7392 0.1590 0.1590 2.8538 2.8538 5.9018 5.9018 6.8360 6.8360 7.4173 7.4173 7.9038 7.9038 9.4573 9.4573 10.2420 10.2420 12.2221 12.2221 12.3412 12.3412 12.6794 12.6795 k = 0.0000 0.7283 0.4633 ( 3146 PWs) bands (ev): -39.2970 -39.2970 -39.2891 -39.2891 -18.3122 -18.3122 -18.2933 -18.2933 -17.8411 -17.8411 -17.8126 -17.8126 -17.7748 -17.7748 -17.7407 -17.7407 0.2214 0.2214 2.7712 2.7712 5.9450 5.9450 6.8473 6.8473 7.4003 7.4003 7.8907 7.8907 9.4264 9.4264 10.1991 10.1991 12.2606 12.2606 12.3569 12.3569 12.7119 12.7119 k = 0.0000 0.7283 0.4804 ( 3152 PWs) bands (ev): -39.2966 -39.2966 -39.2892 -39.2892 -18.3120 -18.3120 -18.2942 -18.2942 -17.8409 -17.8409 -17.8138 -17.8138 -17.7744 -17.7744 -17.7422 -17.7422 0.2860 0.2860 2.6859 2.6859 5.9893 5.9893 6.8642 6.8642 7.3754 7.3754 7.8803 7.8803 9.3996 9.3996 10.1560 10.1560 12.2988 12.2988 12.3724 12.3724 12.7438 12.7438 k = 0.0000 0.7283 0.4976 ( 3152 PWs) bands (ev): -39.2963 -39.2963 -39.2893 -39.2893 -18.3118 -18.3118 -18.2951 -18.2951 -17.8407 -17.8407 -17.8151 -17.8151 -17.7738 -17.7738 -17.7436 -17.7436 0.3527 0.3527 2.5984 2.5984 6.0345 6.0345 6.8863 6.8863 7.3437 7.3437 7.8712 7.8712 9.3776 9.3776 10.1127 10.1127 12.3362 12.3362 12.3878 12.3878 12.7751 12.7753 k = 0.0000 0.7283 0.5148 ( 3150 PWs) bands (ev): -39.2959 -39.2959 -39.2895 -39.2895 -18.3116 -18.3116 -18.2961 -18.2961 -17.8404 -17.8404 -17.8164 -17.8164 -17.7732 -17.7732 -17.7451 -17.7451 0.4215 0.4215 2.5088 2.5088 6.0807 6.0807 6.9133 6.9133 7.3064 7.3064 7.8615 7.8615 9.3607 9.3607 10.0693 10.0693 12.3720 12.3720 12.4031 12.4031 12.8057 12.8058 k = 0.0000 0.7283 0.5319 ( 3152 PWs) bands (ev): -39.2956 -39.2956 -39.2896 -39.2896 -18.3113 -18.3113 -18.2970 -18.2970 -17.8400 -17.8400 -17.8177 -17.8177 -17.7725 -17.7725 -17.7466 -17.7466 0.4924 0.4924 2.4177 2.4177 6.1277 6.1277 6.9447 6.9447 7.2648 7.2648 7.8499 7.8499 9.3494 9.3494 10.0258 10.0258 12.4047 12.4047 12.4191 12.4191 12.8354 12.8362 k = 0.0000 0.7283 0.5491 ( 3154 PWs) bands (ev): -39.2952 -39.2952 -39.2898 -39.2898 -18.3110 -18.3110 -18.2979 -18.2979 -17.8395 -17.8395 -17.8191 -17.8191 -17.7718 -17.7718 -17.7480 -17.7480 0.5653 0.5653 2.3253 2.3253 6.1756 6.1756 6.9799 6.9799 7.2198 7.2198 7.8351 7.8351 9.3438 9.3438 9.9821 9.9821 12.4286 12.4286 12.4407 12.4407 12.8627 12.8632 k = 0.0000 0.7283 0.5662 ( 3152 PWs) bands (ev): -39.2949 -39.2949 -39.2900 -39.2900 -18.3107 -18.3107 -18.2988 -18.2988 -17.8390 -17.8390 -17.8204 -17.8204 -17.7709 -17.7709 -17.7495 -17.7495 0.6402 0.6402 2.2320 2.2320 6.2242 6.2242 7.0181 7.0181 7.1730 7.1730 7.8164 7.8164 9.3441 9.3441 9.9385 9.9385 12.4442 12.4442 12.4667 12.4667 12.8838 12.8877 k = 0.0000 0.7283 0.5834 ( 3150 PWs) bands (ev): -39.2945 -39.2945 -39.2902 -39.2902 -18.3103 -18.3103 -18.2997 -18.2997 -17.8385 -17.8385 -17.8218 -17.8218 -17.7701 -17.7701 -17.7509 -17.7509 0.7170 0.7170 2.1381 2.1381 6.2735 6.2735 7.0561 7.0561 7.1274 7.1274 7.7933 7.7933 9.3502 9.3502 9.8948 9.8948 12.4581 12.4581 12.4897 12.4897 12.9028 12.9032 k = 0.0000 0.7283 0.6005 ( 3156 PWs) bands (ev): -39.2942 -39.2942 -39.2904 -39.2904 -18.3099 -18.3099 -18.3006 -18.3006 -17.8378 -17.8378 -17.8231 -17.8231 -17.7692 -17.7692 -17.7523 -17.7523 0.7956 0.7956 2.0437 2.0437 6.3235 6.3235 7.0581 7.0581 7.1192 7.1192 7.7655 7.7655 9.3618 9.3618 9.8512 9.8512 12.4713 12.4713 12.5086 12.5086 12.9233 12.9235 k = 0.0000 0.7283 0.6177 ( 3160 PWs) bands (ev): -39.2939 -39.2939 -39.2906 -39.2906 -18.3095 -18.3095 -18.3015 -18.3015 -17.8372 -17.8372 -17.8245 -17.8245 -17.7682 -17.7682 -17.7537 -17.7537 0.8760 0.8760 1.9493 1.9493 6.3742 6.3742 7.0117 7.0117 7.1606 7.1606 7.7332 7.7332 9.3786 9.3786 9.8078 9.8078 12.4838 12.4838 12.5232 12.5232 12.9447 12.9452 k = 0.0000 0.7283 0.6349 ( 3162 PWs) bands (ev): -39.2936 -39.2936 -39.2908 -39.2908 -18.3090 -18.3090 -18.3024 -18.3024 -17.8364 -17.8364 -17.8258 -17.8258 -17.7672 -17.7672 -17.7551 -17.7551 0.9582 0.9582 1.8550 1.8550 6.4255 6.4255 6.9596 6.9596 7.2089 7.2089 7.6967 7.6967 9.4001 9.4001 9.7647 9.7647 12.4955 12.4955 12.5337 12.5337 12.9661 12.9663 k = 0.0000 0.7283 0.6520 ( 3160 PWs) bands (ev): -39.2932 -39.2932 -39.2910 -39.2910 -18.3085 -18.3085 -18.3032 -18.3032 -17.8356 -17.8356 -17.8270 -17.8270 -17.7661 -17.7661 -17.7564 -17.7564 1.0421 1.0421 1.7611 1.7611 6.4774 6.4774 6.9062 6.9062 7.2593 7.2593 7.6563 7.6563 9.4258 9.4258 9.7220 9.7220 12.5064 12.5064 12.5404 12.5404 12.9861 12.9863 k = 0.0000 0.7283 0.6692 ( 3158 PWs) bands (ev): -39.2929 -39.2929 -39.2913 -39.2913 -18.3080 -18.3080 -18.3040 -18.3040 -17.8347 -17.8347 -17.8283 -17.8283 -17.7650 -17.7650 -17.7577 -17.7577 1.1275 1.1275 1.6677 1.6677 6.5299 6.5299 6.8523 6.8523 7.3109 7.3109 7.6126 7.6126 9.4551 9.4551 9.6799 9.6799 12.5163 12.5163 12.5438 12.5438 13.0039 13.0047 k = 0.0000 0.7283 0.6863 ( 3158 PWs) bands (ev): -39.2926 -39.2926 -39.2915 -39.2915 -18.3074 -18.3074 -18.3047 -18.3047 -17.8337 -17.8337 -17.8294 -17.8294 -17.7639 -17.7639 -17.7590 -17.7590 1.2145 1.2145 1.5750 1.5750 6.5828 6.5828 6.7981 6.7981 7.3631 7.3631 7.5660 7.5660 9.4875 9.4875 9.6386 9.6386 12.5251 12.5251 12.5444 12.5444 13.0181 13.0186 k = 0.0000 0.7283 0.7035 ( 3154 PWs) bands (ev): -39.2923 -39.2923 -39.2918 -39.2918 -18.3068 -18.3068 -18.3054 -18.3054 -17.8327 -17.8327 -17.8306 -17.8306 -17.7627 -17.7627 -17.7603 -17.7603 1.3028 1.3028 1.4832 1.4832 6.6362 6.6362 6.7440 6.7440 7.4152 7.4152 7.5173 7.5173 9.5225 9.5225 9.5985 9.5985 12.5325 12.5325 12.5424 12.5424 13.0283 13.0311 k = 0.0000 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3061 -18.3061 -18.3061 -18.3061 -17.8317 -17.8317 -17.8317 -17.8317 -17.7615 -17.7615 -17.7615 -17.7615 1.3924 1.3924 1.3924 1.3924 6.6900 6.6900 6.6900 6.6900 7.4668 7.4668 7.4668 7.4668 9.5596 9.5596 9.5596 9.5596 12.5383 12.5383 12.5383 12.5383 13.0332 13.0332 k = 0.0000 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3061 -18.3061 -18.3061 -18.3061 -17.8317 -17.8317 -17.8317 -17.8317 -17.7615 -17.7615 -17.7615 -17.7615 1.3924 1.3924 1.3924 1.3924 6.6900 6.6900 6.6900 6.6900 7.4668 7.4668 7.4668 7.4668 9.5596 9.5596 9.5596 9.5596 12.5383 12.5383 12.5383 12.5383 13.0332 13.0332 k = 0.0170 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3062 -18.3062 -18.3060 -18.3060 -17.8332 -17.8332 -17.8302 -17.8302 -17.7629 -17.7629 -17.7602 -17.7602 1.3924 1.3924 1.3927 1.3927 6.6878 6.6878 6.6912 6.6912 7.4646 7.4646 7.4665 7.4665 9.5617 9.5617 9.5625 9.5625 12.5358 12.5358 12.5363 12.5363 13.0331 13.0333 k = 0.0341 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3064 -18.3064 -18.3059 -18.3059 -17.8346 -17.8346 -17.8287 -17.8287 -17.7642 -17.7642 -17.7588 -17.7588 1.3927 1.3927 1.3934 1.3934 6.6846 6.6846 6.6913 6.6913 7.4599 7.4599 7.4637 7.4637 9.5688 9.5688 9.5704 9.5704 12.5288 12.5288 12.5299 12.5299 13.0336 13.0343 k = 0.0511 0.7283 0.7207 ( 3146 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3065 -18.3065 -18.3057 -18.3057 -17.8360 -17.8360 -17.8272 -17.8272 -17.7655 -17.7655 -17.7575 -17.7575 1.3933 1.3933 1.3943 1.3943 6.6804 6.6804 6.6904 6.6904 7.4530 7.4530 7.4588 7.4588 9.5807 9.5807 9.5830 9.5830 12.5173 12.5173 12.5190 12.5190 13.0340 13.0348 k = 0.0681 0.7283 0.7207 ( 3146 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3067 -18.3067 -18.3056 -18.3056 -17.8374 -17.8374 -17.8258 -17.8258 -17.7668 -17.7668 -17.7561 -17.7561 1.3943 1.3943 1.3956 1.3956 6.6752 6.6752 6.6884 6.6884 7.4442 7.4442 7.4520 7.4520 9.5969 9.5969 9.5999 9.5999 12.5015 12.5015 12.5039 12.5039 13.0350 13.0361 k = 0.0851 0.7283 0.7207 ( 3150 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3068 -18.3068 -18.3055 -18.3055 -17.8387 -17.8387 -17.8244 -17.8244 -17.7680 -17.7680 -17.7549 -17.7549 1.3954 1.3954 1.3970 1.3970 6.6687 6.6687 6.6852 6.6852 7.4341 7.4341 7.4437 7.4437 9.6170 9.6170 9.6205 9.6205 12.4813 12.4813 12.4846 12.4846 13.0358 13.0368 k = 0.1022 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3070 -18.3070 -18.3055 -18.3055 -17.8400 -17.8400 -17.8230 -17.8230 -17.7692 -17.7692 -17.7537 -17.7537 1.3968 1.3968 1.3987 1.3987 6.6611 6.6611 6.6806 6.6806 7.4232 7.4232 7.4346 7.4346 9.6403 9.6403 9.6444 9.6444 12.4572 12.4572 12.4615 12.4615 13.0374 13.0387 k = 0.1192 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3071 -18.3071 -18.3054 -18.3054 -17.8412 -17.8412 -17.8217 -17.8217 -17.7702 -17.7702 -17.7525 -17.7525 1.3985 1.3985 1.4006 1.4006 6.6523 6.6523 6.6746 6.6746 7.4120 7.4120 7.4252 7.4252 9.6662 9.6662 9.6708 9.6708 12.4295 12.4295 12.4349 12.4349 13.0387 13.0400 k = 0.1362 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3073 -18.3073 -18.3054 -18.3054 -17.8423 -17.8423 -17.8206 -17.8206 -17.7712 -17.7712 -17.7514 -17.7514 1.4002 1.4002 1.4027 1.4027 6.6422 6.6422 6.6671 6.6671 7.4012 7.4012 7.4161 7.4161 9.6940 9.6940 9.6989 9.6989 12.3987 12.3987 12.4051 12.4051 13.0403 13.0413 k = 0.1533 0.7283 0.7207 ( 3164 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3074 -18.3074 -18.3053 -18.3053 -17.8433 -17.8433 -17.8195 -17.8195 -17.7721 -17.7721 -17.7503 -17.7503 1.4021 1.4021 1.4048 1.4048 6.6308 6.6308 6.6581 6.6581 7.3914 7.3914 7.4077 7.4077 9.7228 9.7228 9.7280 9.7280 12.3652 12.3652 12.3729 12.3729 13.0418 13.0431 k = 0.1703 0.7283 0.7207 ( 3162 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3075 -18.3075 -18.3053 -18.3053 -17.8443 -17.8443 -17.8185 -17.8185 -17.7729 -17.7729 -17.7493 -17.7493 1.4040 1.4040 1.4070 1.4070 6.6182 6.6182 6.6475 6.6475 7.3830 7.3830 7.4006 7.4006 9.7521 9.7521 9.7575 9.7575 12.3298 12.3298 12.3387 12.3387 13.0435 13.0440 k = 0.1873 0.7283 0.7207 ( 3160 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3077 -18.3077 -18.3053 -18.3053 -17.8451 -17.8451 -17.8178 -17.8178 -17.7734 -17.7734 -17.7484 -17.7484 1.4060 1.4060 1.4091 1.4091 6.6046 6.6046 6.6355 6.6355 7.3765 7.3765 7.3951 7.3951 9.7809 9.7809 9.7864 9.7864 12.2932 12.2932 12.3033 12.3033 13.0451 13.0453 k = 0.2044 0.7283 0.7207 ( 3160 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3078 -18.3078 -18.3053 -18.3053 -17.8458 -17.8458 -17.8171 -17.8171 -17.7739 -17.7739 -17.7476 -17.7476 1.4079 1.4079 1.4112 1.4112 6.5900 6.5900 6.6223 6.6223 7.3721 7.3721 7.3915 7.3915 9.8086 9.8086 9.8142 9.8142 12.2562 12.2562 12.2675 12.2675 13.0474 13.0493 k = 0.2214 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3078 -18.3078 -18.3052 -18.3052 -17.8465 -17.8465 -17.8166 -17.8166 -17.7742 -17.7742 -17.7468 -17.7468 1.4096 1.4096 1.4131 1.4131 6.5748 6.5748 6.6079 6.6079 7.3701 7.3701 7.3899 7.3899 9.8344 9.8344 9.8400 9.8400 12.2197 12.2197 12.2320 12.2320 13.0484 13.0486 k = 0.2384 0.7283 0.7207 ( 3154 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3079 -18.3079 -18.3052 -18.3052 -17.8470 -17.8470 -17.8163 -17.8163 -17.7743 -17.7743 -17.7461 -17.7461 1.4112 1.4112 1.4148 1.4148 6.5591 6.5591 6.5928 6.5928 7.3705 7.3705 7.3905 7.3905 9.8577 9.8577 9.8634 9.8634 12.1843 12.1843 12.1977 12.1977 13.0502 13.0516 k = 0.2554 0.7283 0.7207 ( 3150 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3079 -18.3079 -18.3052 -18.3052 -17.8474 -17.8474 -17.8161 -17.8161 -17.7742 -17.7742 -17.7455 -17.7455 1.4125 1.4125 1.4162 1.4162 6.5433 6.5433 6.5772 6.5772 7.3734 7.3734 7.3934 7.3934 9.8780 9.8780 9.8835 9.8835 12.1509 12.1509 12.1651 12.1651 13.0520 13.0556 k = 0.2725 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3079 -18.3079 -18.3053 -18.3053 -17.8477 -17.8477 -17.8162 -17.8162 -17.7741 -17.7741 -17.7451 -17.7451 1.4135 1.4135 1.4172 1.4172 6.5278 6.5278 6.5615 6.5615 7.3787 7.3787 7.3983 7.3983 9.8946 9.8946 9.9001 9.9001 12.1202 12.1202 12.1351 12.1351 13.0534 13.0547 k = 0.2895 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3079 -18.3079 -18.3053 -18.3053 -17.8479 -17.8479 -17.8163 -17.8163 -17.7738 -17.7738 -17.7447 -17.7447 1.4140 1.4140 1.4179 1.4179 6.5128 6.5128 6.5461 6.5461 7.3862 7.3862 7.4054 7.4054 9.9072 9.9072 9.9126 9.9126 12.0928 12.0928 12.1083 12.1083 13.0551 13.0580 k = 0.2895 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3079 -18.3079 -18.3053 -18.3053 -17.8479 -17.8479 -17.8163 -17.8163 -17.7738 -17.7738 -17.7447 -17.7447 1.4140 1.4140 1.4179 1.4179 6.5128 6.5128 6.5461 6.5461 7.3862 7.3862 7.4054 7.4054 9.9072 9.9072 9.9126 9.9126 12.0928 12.0928 12.1083 12.1083 13.0552 13.0566 k = 0.2832 0.7124 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3080 -18.3080 -18.3052 -18.3052 -17.8475 -17.8475 -17.8157 -17.8157 -17.7747 -17.7747 -17.7456 -17.7456 1.4126 1.4126 1.4164 1.4164 6.5520 6.5520 6.5867 6.5867 7.3643 7.3643 7.3849 7.3849 9.8798 9.8798 9.8854 9.8854 12.1613 12.1613 12.1753 12.1753 13.0494 13.0517 k = 0.2769 0.6966 0.7207 ( 3148 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3080 -18.3080 -18.3051 -18.3051 -17.8470 -17.8470 -17.8151 -17.8151 -17.7757 -17.7757 -17.7464 -17.7464 1.4104 1.4104 1.4140 1.4140 6.5905 6.5905 6.6267 6.6267 7.3451 7.3451 7.3670 7.3670 9.8542 9.8542 9.8602 9.8602 12.2280 12.2280 12.2404 12.2404 13.0413 13.0419 k = 0.2706 0.6808 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3079 -18.3079 -18.3050 -18.3050 -17.8465 -17.8465 -17.8145 -17.8145 -17.7766 -17.7766 -17.7474 -17.7474 1.4073 1.4073 1.4108 1.4108 6.6283 6.6283 6.6657 6.6657 7.3285 7.3285 7.3515 7.3515 9.8302 9.8302 9.8367 9.8367 12.2925 12.2925 12.3031 12.3031 13.0308 13.0309 k = 0.2643 0.6650 0.7207 ( 3148 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3079 -18.3079 -18.3049 -18.3049 -17.8459 -17.8459 -17.8138 -17.8138 -17.7774 -17.7774 -17.7483 -17.7483 1.4033 1.4033 1.4067 1.4067 6.6653 6.6653 6.7038 6.7038 7.3146 7.3146 7.3385 7.3385 9.8078 9.8078 9.8147 9.8147 12.3543 12.3543 12.3631 12.3631 13.0174 13.0175 k = 0.2580 0.6491 0.7207 ( 3152 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3078 -18.3078 -18.3047 -18.3047 -17.8453 -17.8453 -17.8132 -17.8132 -17.7783 -17.7783 -17.7492 -17.7492 1.3985 1.3985 1.4017 1.4017 6.7014 6.7014 6.7408 6.7408 7.3033 7.3033 7.3280 7.3280 9.7867 9.7867 9.7940 9.7940 12.4129 12.4129 12.4196 12.4196 13.0007 13.0008 k = 0.2517 0.6333 0.7207 ( 3156 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3077 -18.3077 -18.3046 -18.3046 -17.8445 -17.8445 -17.8126 -17.8126 -17.7791 -17.7791 -17.7502 -17.7502 1.3929 1.3929 1.3960 1.3960 6.7366 6.7366 6.7766 6.7766 7.2949 7.2949 7.3199 7.3199 9.7666 9.7666 9.7744 9.7744 12.4674 12.4674 12.4720 12.4720 12.9812 12.9831 k = 0.2455 0.6175 0.7207 ( 3156 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3076 -18.3076 -18.3044 -18.3044 -17.8438 -17.8438 -17.8119 -17.8119 -17.7798 -17.7798 -17.7511 -17.7511 1.3864 1.3864 1.3893 1.3893 6.7707 6.7707 6.8109 6.8109 7.2893 7.2893 7.3143 7.3143 9.7473 9.7473 9.7556 9.7556 12.5168 12.5168 12.5193 12.5193 12.9579 12.9621 k = 0.2392 0.6016 0.7207 ( 3156 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3074 -18.3074 -18.3042 -18.3042 -17.8429 -17.8429 -17.8112 -17.8112 -17.7806 -17.7806 -17.7521 -17.7521 1.3791 1.3791 1.3819 1.3819 6.8036 6.8036 6.8436 6.8436 7.2867 7.2867 7.3112 7.3112 9.7286 9.7286 9.7374 9.7374 12.5597 12.5597 12.5602 12.5602 12.9337 12.9339 k = 0.2329 0.5858 0.7207 ( 3156 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3072 -18.3072 -18.3039 -18.3039 -17.8420 -17.8420 -17.8105 -17.8105 -17.7812 -17.7812 -17.7530 -17.7530 1.3710 1.3710 1.3736 1.3736 6.8352 6.8352 6.8745 6.8745 7.2872 7.2872 7.3107 7.3107 9.7100 9.7100 9.7194 9.7194 12.5930 12.5930 12.5939 12.5939 12.9117 12.9129 k = 0.2266 0.5700 0.7207 ( 3150 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3070 -18.3070 -18.3036 -18.3036 -17.8410 -17.8410 -17.8098 -17.8098 -17.7819 -17.7819 -17.7540 -17.7540 1.3622 1.3622 1.3646 1.3646 6.8652 6.8652 6.9032 6.9032 7.2911 7.2911 7.3129 7.3129 9.6915 9.6915 9.7014 9.7014 12.6157 12.6157 12.6171 12.6171 12.8945 12.9021 k = 0.2203 0.5541 0.7207 ( 3158 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3067 -18.3067 -18.3034 -18.3034 -17.8400 -17.8400 -17.8091 -17.8091 -17.7825 -17.7825 -17.7550 -17.7550 1.3526 1.3526 1.3549 1.3549 6.8934 6.8934 6.9294 6.9294 7.2986 7.2986 7.3181 7.3181 9.6726 9.6726 9.6831 9.6831 12.6268 12.6268 12.6272 12.6272 12.8859 12.8892 k = 0.2140 0.5383 0.7207 ( 3158 PWs) bands (ev): -39.2921 -39.2921 -39.2921 -39.2921 -18.3065 -18.3065 -18.3030 -18.3030 -17.8390 -17.8390 -17.8083 -17.8083 -17.7831 -17.7831 -17.7560 -17.7560 1.3424 1.3424 1.3445 1.3445 6.9196 6.9196 6.9528 6.9528 7.3099 7.3099 7.3263 7.3263 9.6532 9.6532 9.6642 9.6642 12.6250 12.6250 12.6268 12.6268 12.8869 12.8889 k = 0.2077 0.5225 0.7207 ( 3158 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3062 -18.3062 -18.3027 -18.3027 -17.8378 -17.8378 -17.8076 -17.8076 -17.7836 -17.7836 -17.7569 -17.7569 1.3314 1.3314 1.3334 1.3334 6.9435 6.9435 6.9733 6.9733 7.3251 7.3251 7.3379 7.3379 9.6330 9.6330 9.6446 9.6446 12.6142 12.6142 12.6183 12.6183 12.8947 12.8960 k = 0.2014 0.5066 0.7207 ( 3154 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3058 -18.3058 -18.3024 -18.3024 -17.8367 -17.8367 -17.8068 -17.8068 -17.7841 -17.7841 -17.7579 -17.7579 1.3199 1.3199 1.3217 1.3217 6.9647 6.9647 6.9907 6.9907 7.3444 7.3444 7.3531 7.3531 9.6120 9.6120 9.6241 9.6241 12.5991 12.5991 12.6054 12.6054 12.9048 12.9050 k = 0.1951 0.4908 0.7207 ( 3158 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3055 -18.3055 -18.3020 -18.3020 -17.8355 -17.8355 -17.8061 -17.8061 -17.7846 -17.7846 -17.7589 -17.7589 1.3079 1.3079 1.3095 1.3095 6.9830 6.9830 7.0050 7.0050 7.3677 7.3677 7.3721 7.3721 9.5898 9.5898 9.6025 9.6025 12.5834 12.5834 12.5913 12.5913 12.9136 12.9142 k = 0.1888 0.4750 0.7207 ( 3150 PWs) bands (ev): -39.2923 -39.2923 -39.2923 -39.2923 -18.3051 -18.3051 -18.3016 -18.3016 -17.8342 -17.8342 -17.8054 -17.8054 -17.7850 -17.7850 -17.7598 -17.7598 1.2953 1.2953 1.2968 1.2968 6.9985 6.9985 7.0165 7.0165 7.3946 7.3946 7.3948 7.3948 9.5666 9.5666 9.5798 9.5798 12.5694 12.5694 12.5783 12.5783 12.9222 12.9261 k = 0.1825 0.4591 0.7207 ( 3154 PWs) bands (ev): -39.2923 -39.2923 -39.2923 -39.2923 -18.3047 -18.3047 -18.3012 -18.3012 -17.8329 -17.8329 -17.8046 -17.8046 -17.7854 -17.7854 -17.7608 -17.7608 1.2824 1.2824 1.2837 1.2837 7.0111 7.0111 7.0253 7.0253 7.4212 7.4212 7.4250 7.4250 9.5422 9.5422 9.5559 9.5559 12.5583 12.5583 12.5679 12.5679 12.9287 12.9302 k = 0.1762 0.4433 0.7207 ( 3162 PWs) bands (ev): -39.2924 -39.2924 -39.2924 -39.2924 -18.3043 -18.3043 -18.3009 -18.3009 -17.8316 -17.8316 -17.8039 -17.8039 -17.7858 -17.7858 -17.7617 -17.7617 1.2690 1.2690 1.2702 1.2702 7.0210 7.0210 7.0318 7.0318 7.4510 7.4510 7.4583 7.4583 9.5167 9.5167 9.5308 9.5308 12.5507 12.5507 12.5608 12.5608 12.9340 12.9342 k = 0.1699 0.4275 0.7207 ( 3158 PWs) bands (ev): -39.2924 -39.2924 -39.2924 -39.2924 -18.3039 -18.3039 -18.3005 -18.3005 -17.8302 -17.8302 -17.8031 -17.8031 -17.7861 -17.7861 -17.7627 -17.7627 1.2554 1.2554 1.2564 1.2564 7.0283 7.0283 7.0363 7.0363 7.4840 7.4840 7.4944 7.4944 9.4902 9.4902 9.5048 9.5048 12.5470 12.5470 12.5573 12.5573 12.9373 12.9375 k = 0.1636 0.4116 0.7207 ( 3158 PWs) bands (ev): -39.2925 -39.2925 -39.2925 -39.2925 -18.3035 -18.3035 -18.3000 -18.3000 -17.8288 -17.8288 -17.8024 -17.8024 -17.7864 -17.7864 -17.7636 -17.7636 1.2415 1.2415 1.2424 1.2424 7.0335 7.0335 7.0391 7.0391 7.5198 7.5198 7.5326 7.5326 9.4628 9.4628 9.4778 9.4778 12.5471 12.5471 12.5576 12.5576 12.9391 12.9406 k = 0.1573 0.3958 0.7207 ( 3158 PWs) bands (ev): -39.2926 -39.2926 -39.2926 -39.2926 -18.3030 -18.3030 -18.2996 -18.2996 -17.8274 -17.8274 -17.8017 -17.8017 -17.7867 -17.7867 -17.7646 -17.7646 1.2274 1.2274 1.2282 1.2282 7.0367 7.0367 7.0405 7.0405 7.5581 7.5581 7.5729 7.5729 9.4347 9.4347 9.4500 9.4500 12.5508 12.5508 12.5613 12.5613 12.9393 12.9421 k = 0.1510 0.3800 0.7207 ( 3164 PWs) bands (ev): -39.2926 -39.2926 -39.2926 -39.2926 -18.3025 -18.3025 -18.2992 -18.2992 -17.8259 -17.8259 -17.8010 -17.8010 -17.7869 -17.7869 -17.7655 -17.7655 1.2133 1.2133 1.2139 1.2139 7.0383 7.0383 7.0406 7.0406 7.5984 7.5984 7.6147 7.6147 9.4060 9.4060 9.4216 9.4216 12.5578 12.5578 12.5683 12.5683 12.9381 12.9393 k = 0.1448 0.3641 0.7207 ( 3164 PWs) bands (ev): -39.2927 -39.2927 -39.2927 -39.2927 -18.3021 -18.3021 -18.2988 -18.2988 -17.8244 -17.8244 -17.8003 -17.8003 -17.7872 -17.7872 -17.7664 -17.7664 1.1991 1.1991 1.1996 1.1996 7.0384 7.0384 7.0397 7.0397 7.6405 7.6405 7.6579 7.6579 9.3770 9.3770 9.3928 9.3928 12.5678 12.5678 12.5783 12.5783 12.9357 12.9377 k = 0.1385 0.3483 0.7207 ( 3156 PWs) bands (ev): -39.2927 -39.2927 -39.2927 -39.2927 -18.3016 -18.3016 -18.2984 -18.2984 -17.8229 -17.8229 -17.7996 -17.7996 -17.7873 -17.7873 -17.7673 -17.7673 1.1849 1.1849 1.1854 1.1854 7.0374 7.0374 7.0378 7.0378 7.6841 7.6841 7.7022 7.7022 9.3478 9.3478 9.3638 9.3638 12.5803 12.5803 12.5907 12.5907 12.9326 12.9341 k = 0.1322 0.3325 0.7207 ( 3156 PWs) bands (ev): -39.2928 -39.2928 -39.2928 -39.2928 -18.3011 -18.3011 -18.2980 -18.2980 -17.8214 -17.8214 -17.7989 -17.7989 -17.7875 -17.7875 -17.7682 -17.7682 1.1708 1.1708 1.1712 1.1712 7.0351 7.0351 7.0353 7.0353 7.7287 7.7287 7.7474 7.7474 9.3187 9.3187 9.3348 9.3348 12.5948 12.5948 12.6052 12.6052 12.9286 12.9288 k = 0.1259 0.3166 0.7207 ( 3164 PWs) bands (ev): -39.2929 -39.2929 -39.2929 -39.2929 -18.3006 -18.3006 -18.2976 -18.2976 -17.8200 -17.8200 -17.7983 -17.7983 -17.7876 -17.7876 -17.7691 -17.7691 1.1569 1.1569 1.1572 1.1572 7.0318 7.0318 7.0323 7.0323 7.7741 7.7741 7.7931 7.7931 9.2898 9.2898 9.3061 9.3061 12.6108 12.6108 12.6211 12.6211 12.9239 12.9252 k = 0.1196 0.3008 0.7207 ( 3166 PWs) bands (ev): -39.2929 -39.2929 -39.2929 -39.2929 -18.3002 -18.3002 -18.2972 -18.2972 -17.8185 -17.8185 -17.7977 -17.7977 -17.7877 -17.7877 -17.7700 -17.7700 1.1432 1.1432 1.1434 1.1434 7.0279 7.0279 7.0287 7.0287 7.8201 7.8201 7.8391 7.8391 9.2615 9.2615 9.2777 9.2777 12.6278 12.6278 12.6381 12.6381 12.9192 12.9208 k = 0.1133 0.2850 0.7207 ( 3170 PWs) bands (ev): -39.2930 -39.2930 -39.2930 -39.2930 -18.2997 -18.2997 -18.2969 -18.2969 -17.8170 -17.8170 -17.7971 -17.7971 -17.7878 -17.7878 -17.7709 -17.7709 1.1298 1.1298 1.1299 1.1299 7.0235 7.0235 7.0244 7.0244 7.8663 7.8663 7.8853 7.8853 9.2337 9.2337 9.2500 9.2500 12.6453 12.6453 12.6555 12.6555 12.9137 12.9139 k = 0.1070 0.2691 0.7207 ( 3166 PWs) bands (ev): -39.2931 -39.2931 -39.2931 -39.2931 -18.2992 -18.2992 -18.2965 -18.2965 -17.8155 -17.8155 -17.7965 -17.7965 -17.7878 -17.7878 -17.7718 -17.7718 1.1167 1.1167 1.1168 1.1168 7.0188 7.0188 7.0198 7.0198 7.9125 7.9125 7.9313 7.9313 9.2069 9.2069 9.2230 9.2230 12.6628 12.6628 12.6730 12.6730 12.9084 12.9097 k = 0.1007 0.2533 0.7207 ( 3166 PWs) bands (ev): -39.2931 -39.2931 -39.2931 -39.2931 -18.2988 -18.2988 -18.2962 -18.2962 -17.8140 -17.8140 -17.7960 -17.7960 -17.7879 -17.7879 -17.7726 -17.7726 1.1041 1.1041 1.1041 1.1041 7.0137 7.0137 7.0147 7.0147 7.9584 7.9584 7.9769 7.9769 9.1810 9.1810 9.1970 9.1970 12.6798 12.6798 12.6900 12.6900 12.9032 12.9043 k = 0.0944 0.2375 0.7207 ( 3170 PWs) bands (ev): -39.2932 -39.2932 -39.2932 -39.2932 -18.2983 -18.2983 -18.2959 -18.2959 -17.8126 -17.8126 -17.7955 -17.7955 -17.7879 -17.7879 -17.7734 -17.7734 1.0919 1.0919 1.0919 1.0919 7.0085 7.0085 7.0095 7.0095 8.0037 8.0037 8.0218 8.0218 9.1562 9.1562 9.1720 9.1720 12.6959 12.6959 12.7061 12.7061 12.8983 12.8998 k = 0.0881 0.2217 0.7207 ( 3176 PWs) bands (ev): -39.2932 -39.2932 -39.2932 -39.2932 -18.2979 -18.2979 -18.2956 -18.2956 -17.8112 -17.8112 -17.7951 -17.7951 -17.7879 -17.7879 -17.7743 -17.7743 1.0801 1.0801 1.0802 1.0802 7.0031 7.0031 7.0040 7.0040 8.0480 8.0480 8.0656 8.0656 9.1327 9.1327 9.1482 9.1482 12.7108 12.7108 12.7208 12.7208 12.8937 12.8945 k = 0.0818 0.2058 0.7207 ( 3168 PWs) bands (ev): -39.2933 -39.2933 -39.2933 -39.2933 -18.2975 -18.2975 -18.2953 -18.2953 -17.8098 -17.8098 -17.7947 -17.7947 -17.7878 -17.7878 -17.7750 -17.7750 1.0690 1.0690 1.0691 1.0691 6.9977 6.9977 6.9986 6.9986 8.0912 8.0912 8.1082 8.1082 9.1105 9.1105 9.1256 9.1256 12.7241 12.7241 12.7340 12.7340 12.8899 12.8912 k = 0.0755 0.1900 0.7207 ( 3164 PWs) bands (ev): -39.2934 -39.2934 -39.2934 -39.2934 -18.2970 -18.2970 -18.2950 -18.2950 -17.8084 -17.8084 -17.7943 -17.7943 -17.7877 -17.7877 -17.7758 -17.7758 1.0585 1.0585 1.0586 1.0586 6.9924 6.9924 6.9931 6.9931 8.1329 8.1329 8.1493 8.1493 9.0897 9.0897 9.1044 9.1044 12.7356 12.7356 12.7452 12.7452 12.8872 12.8909 k = 0.0692 0.1742 0.7207 ( 3172 PWs) bands (ev): -39.2934 -39.2934 -39.2934 -39.2934 -18.2967 -18.2967 -18.2948 -18.2948 -17.8071 -17.8071 -17.7940 -17.7940 -17.7876 -17.7876 -17.7766 -17.7766 1.0487 1.0487 1.0488 1.0488 6.9871 6.9871 6.9877 6.9877 8.1727 8.1727 8.1884 8.1884 9.0704 9.0704 9.0846 9.0846 12.7452 12.7452 12.7543 12.7543 12.8837 12.8841 k = 0.0629 0.1583 0.7207 ( 3168 PWs) bands (ev): -39.2935 -39.2935 -39.2935 -39.2935 -18.2963 -18.2963 -18.2946 -18.2946 -17.8058 -17.8058 -17.7938 -17.7938 -17.7875 -17.7875 -17.7774 -17.7774 1.0396 1.0396 1.0397 1.0397 6.9820 6.9820 6.9826 6.9826 8.2106 8.2106 8.2254 8.2254 9.0527 9.0527 9.0662 9.0662 12.7530 12.7530 12.7615 12.7615 12.8818 12.8825 k = 0.0566 0.1425 0.7207 ( 3176 PWs) bands (ev): -39.2935 -39.2935 -39.2935 -39.2935 -18.2960 -18.2960 -18.2944 -18.2944 -17.8046 -17.8046 -17.7937 -17.7937 -17.7873 -17.7873 -17.7781 -17.7781 1.0312 1.0312 1.0313 1.0313 6.9772 6.9772 6.9777 6.9777 8.2460 8.2460 8.2599 8.2599 9.0365 9.0365 9.0493 9.0493 12.7590 12.7590 12.7667 12.7667 12.8805 12.8815 k = 0.0503 0.1267 0.7207 ( 3180 PWs) bands (ev): -39.2935 -39.2935 -39.2935 -39.2935 -18.2957 -18.2957 -18.2942 -18.2942 -17.8034 -17.8034 -17.7936 -17.7936 -17.7871 -17.7871 -17.7788 -17.7788 1.0236 1.0236 1.0237 1.0237 6.9727 6.9727 6.9731 6.9731 8.2787 8.2787 8.2916 8.2916 9.0221 9.0221 9.0340 9.0340 12.7635 12.7635 12.7703 12.7703 12.8799 12.8828 k = 0.0441 0.1108 0.7207 ( 3184 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.2954 -18.2954 -18.2941 -18.2941 -17.8023 -17.8023 -17.7937 -17.7937 -17.7868 -17.7868 -17.7795 -17.7795 1.0168 1.0168 1.0170 1.0170 6.9686 6.9686 6.9689 6.9689 8.3085 8.3085 8.3202 8.3202 9.0093 9.0093 9.0202 9.0202 12.7667 12.7667 12.7725 12.7725 12.8795 12.8846 k = 0.0378 0.0950 0.7207 ( 3184 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.2951 -18.2951 -18.2940 -18.2940 -17.8012 -17.8012 -17.7938 -17.7938 -17.7865 -17.7865 -17.7802 -17.7802 1.0109 1.0109 1.0110 1.0110 6.9649 6.9649 6.9651 6.9651 8.3352 8.3352 8.3456 8.3456 8.9983 8.9983 9.0081 9.0081 12.7689 12.7689 12.7737 12.7737 12.8808 12.8825 k = 0.0315 0.0792 0.7207 ( 3184 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.2948 -18.2948 -18.2939 -18.2939 -17.8002 -17.8002 -17.7940 -17.7940 -17.7862 -17.7862 -17.7809 -17.7809 1.0058 1.0058 1.0060 1.0060 6.9617 6.9617 6.9619 6.9619 8.3584 8.3584 8.3674 8.3674 8.9891 8.9891 8.9975 8.9975 12.7703 12.7703 12.7742 12.7742 12.8793 12.8808 k = 0.0252 0.0633 0.7207 ( 3172 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2946 -18.2946 -18.2939 -18.2939 -17.7992 -17.7992 -17.7942 -17.7942 -17.7857 -17.7857 -17.7815 -17.7815 1.0017 1.0017 1.0018 1.0018 6.9590 6.9590 6.9592 6.9592 8.3780 8.3780 8.3854 8.3854 8.9817 8.9817 8.9887 8.9887 12.7712 12.7712 12.7743 12.7743 12.8795 12.8808 k = 0.0189 0.0475 0.7207 ( 3176 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2944 -18.2944 -18.2939 -18.2939 -17.7984 -17.7984 -17.7946 -17.7946 -17.7853 -17.7853 -17.7821 -17.7821 0.9984 0.9984 0.9985 0.9985 6.9569 6.9569 6.9570 6.9570 8.3936 8.3936 8.3993 8.3993 8.9761 8.9761 8.9815 8.9815 12.7718 12.7718 12.7741 12.7741 12.8807 12.8822 k = 0.0126 0.0317 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2942 -18.2942 -18.2939 -18.2939 -17.7975 -17.7975 -17.7950 -17.7950 -17.7848 -17.7848 -17.7827 -17.7827 0.9961 0.9961 0.9962 0.9962 6.9554 6.9554 6.9554 6.9554 8.4053 8.4053 8.4091 8.4091 8.9725 8.9725 8.9761 8.9761 12.7723 12.7723 12.7737 12.7737 12.8800 12.8816 k = 0.0063 0.0158 0.7207 ( 3160 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2941 -18.2941 -18.2939 -18.2939 -17.7968 -17.7968 -17.7955 -17.7955 -17.7843 -17.7843 -17.7832 -17.7832 0.9947 0.9947 0.9948 0.9948 6.9545 6.9545 6.9545 6.9545 8.4127 8.4127 8.4147 8.4147 8.9706 8.9706 8.9725 8.9725 12.7726 12.7726 12.7734 12.7734 12.8802 12.8809 k = 0.0000 0.0000 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2940 -18.2940 -18.2940 -18.2940 -17.7961 -17.7961 -17.7961 -17.7961 -17.7838 -17.7838 -17.7838 -17.7838 0.9943 0.9943 0.9943 0.9943 6.9542 6.9542 6.9542 6.9542 8.4158 8.4158 8.4158 8.4158 8.9706 8.9706 8.9706 8.9706 12.7730 12.7730 12.7730 12.7730 12.8805 12.8805 k = 0.0000 0.0000 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2940 -18.2940 -18.2940 -18.2940 -17.7961 -17.7961 -17.7961 -17.7961 -17.7838 -17.7838 -17.7838 -17.7838 0.9943 0.9943 0.9943 0.9943 6.9542 6.9542 6.9542 6.9542 8.4158 8.4158 8.4158 8.4158 8.9706 8.9706 8.9706 8.9706 12.7730 12.7730 12.7730 12.7730 12.8805 12.8805 k = 0.0000 0.0000 0.7035 ( 3164 PWs) bands (ev): -39.2942 -39.2942 -39.2932 -39.2932 -18.2956 -18.2956 -18.2923 -18.2923 -17.7976 -17.7976 -17.7950 -17.7950 -17.7847 -17.7847 -17.7824 -17.7824 0.8859 0.8859 1.1039 1.1039 6.8758 6.8758 7.0326 7.0326 8.3848 8.3848 8.4487 8.4487 8.9195 8.9195 9.0250 9.0250 12.7641 12.7641 12.7797 12.7797 12.8596 12.8597 k = 0.0000 0.0000 0.6863 ( 3168 PWs) bands (ev): -39.2948 -39.2948 -39.2926 -39.2926 -18.2973 -18.2973 -18.2905 -18.2905 -17.7992 -17.7992 -17.7943 -17.7943 -17.7852 -17.7852 -17.7808 -17.7808 0.7790 0.7790 1.2146 1.2146 6.7983 6.7983 7.1103 7.1103 8.3555 8.3555 8.4833 8.4833 8.8723 8.8723 9.0821 9.0821 12.7532 12.7532 12.7843 12.7843 12.8314 12.8314 k = 0.0000 0.0000 0.6692 ( 3164 PWs) bands (ev): -39.2954 -39.2954 -39.2921 -39.2921 -18.2988 -18.2988 -18.2888 -18.2888 -17.8010 -17.8010 -17.7940 -17.7940 -17.7851 -17.7851 -17.7789 -17.7789 0.6737 0.6737 1.3263 1.3263 6.7224 6.7224 7.1859 7.1859 8.3280 8.3280 8.5198 8.5198 8.8302 8.8302 9.1413 9.1413 12.7401 12.7401 12.7860 12.7860 12.7970 12.7970 k = 0.0000 0.0000 0.6520 ( 3180 PWs) bands (ev): -39.2959 -39.2959 -39.2916 -39.2916 -18.3004 -18.3004 -18.2870 -18.2870 -17.8029 -17.8029 -17.7942 -17.7942 -17.7846 -17.7846 -17.7768 -17.7768 0.5701 0.5701 1.4386 1.4386 6.6486 6.6486 7.2583 7.2583 8.3021 8.3021 8.5581 8.5581 8.7943 8.7943 9.2020 9.2020 12.7249 12.7249 12.7534 12.7534 12.7883 12.7883 k = 0.0000 0.0000 0.6349 ( 3186 PWs) bands (ev): -39.2965 -39.2965 -39.2911 -39.2911 -18.3019 -18.3019 -18.2852 -18.2852 -17.8049 -17.8049 -17.7946 -17.7946 -17.7837 -17.7837 -17.7746 -17.7746 0.4683 0.4683 1.5514 1.5514 6.5777 6.5777 7.3260 7.3260 8.2779 8.2779 8.5981 8.5981 8.7660 8.7660 9.2641 9.2641 12.7029 12.7029 12.7102 12.7102 12.7868 12.7869 k = 0.0000 0.0000 0.6177 ( 3178 PWs) bands (ev): -39.2971 -39.2971 -39.2906 -39.2906 -18.3034 -18.3034 -18.2833 -18.2833 -17.8068 -17.8068 -17.7951 -17.7951 -17.7825 -17.7825 -17.7722 -17.7722 0.3684 0.3684 1.6643 1.6643 6.5100 6.5100 7.3871 7.3871 8.2554 8.2554 8.6400 8.6400 8.7471 8.7471 9.3272 9.3272 12.6507 12.6507 12.6896 12.6896 12.7834 12.7834 k = 0.0000 0.0000 0.6005 ( 3170 PWs) bands (ev): -39.2977 -39.2977 -39.2902 -39.2902 -18.3047 -18.3047 -18.2814 -18.2814 -17.8088 -17.8088 -17.7955 -17.7955 -17.7813 -17.7813 -17.7697 -17.7697 0.2705 0.2705 1.7771 1.7771 6.4461 6.4461 7.4398 7.4398 8.2344 8.2344 8.6831 8.6831 8.7398 8.7398 9.3911 9.3911 12.5917 12.5917 12.6689 12.6689 12.7752 12.7752 k = 0.0000 0.0000 0.5834 ( 3166 PWs) bands (ev): -39.2983 -39.2983 -39.2897 -39.2897 -18.3061 -18.3061 -18.2795 -18.2795 -17.8108 -17.8108 -17.7960 -17.7960 -17.7800 -17.7800 -17.7671 -17.7671 0.1748 0.1748 1.8895 1.8895 6.3865 6.3865 7.4825 7.4825 8.2149 8.2149 8.7242 8.7242 8.7485 8.7485 9.4555 9.4555 12.5282 12.5282 12.6467 12.6467 12.7404 12.7441 k = 0.0000 0.0000 0.5662 ( 3166 PWs) bands (ev): -39.2989 -39.2989 -39.2893 -39.2893 -18.3074 -18.3074 -18.2776 -18.2776 -17.8128 -17.8128 -17.7965 -17.7965 -17.7787 -17.7787 -17.7645 -17.7645 0.0812 0.0812 2.0009 2.0009 6.3316 6.3316 7.5139 7.5139 8.1969 8.1969 8.7536 8.7536 8.7842 8.7842 9.5200 9.5200 12.4608 12.4608 12.6229 12.6229 12.6960 12.6960 k = 0.0000 0.0000 0.5491 ( 3166 PWs) bands (ev): -39.2995 -39.2995 -39.2889 -39.2889 -18.3087 -18.3087 -18.2757 -18.2757 -17.8147 -17.8147 -17.7969 -17.7969 -17.7773 -17.7773 -17.7618 -17.7618 -0.0102 -0.0102 2.1110 2.1110 6.2822 6.2822 7.5334 7.5334 8.1803 8.1803 8.7864 8.7864 8.8321 8.8321 9.5845 9.5845 12.3902 12.3902 12.5979 12.5979 12.6505 12.6505 k = 0.0000 0.0000 0.5319 ( 3166 PWs) bands (ev): -39.3000 -39.3000 -39.2884 -39.2884 -18.3099 -18.3099 -18.2738 -18.2738 -17.8167 -17.8167 -17.7972 -17.7972 -17.7760 -17.7760 -17.7591 -17.7591 -0.0992 -0.0992 2.2193 2.2193 6.2386 6.2386 7.5413 7.5413 8.1650 8.1650 8.8308 8.8308 8.8833 8.8833 9.6488 9.6488 12.3169 12.3169 12.5715 12.5715 12.6056 12.6056 k = 0.0000 0.0000 0.5148 ( 3170 PWs) bands (ev): -39.3006 -39.3006 -39.2880 -39.2880 -18.3111 -18.3111 -18.2719 -18.2719 -17.8186 -17.8186 -17.7975 -17.7975 -17.7747 -17.7747 -17.7563 -17.7563 -0.1859 -0.1859 2.3253 2.3253 6.2015 6.2015 7.5388 7.5388 8.1512 8.1512 8.8867 8.8867 8.9367 8.9367 9.7126 9.7126 12.2416 12.2416 12.5436 12.5436 12.5625 12.5625 k = 0.0000 0.0000 0.4976 ( 3170 PWs) bands (ev): -39.3012 -39.3012 -39.2877 -39.2877 -18.3122 -18.3122 -18.2700 -18.2700 -17.8205 -17.8205 -17.7977 -17.7977 -17.7733 -17.7733 -17.7536 -17.7536 -0.2702 -0.2702 2.4284 2.4284 6.1716 6.1716 7.5272 7.5272 8.1386 8.1386 8.9523 8.9523 8.9922 8.9922 9.7756 9.7756 12.1648 12.1648 12.5121 12.5121 12.5242 12.5242 k = 0.0000 0.0000 0.4804 ( 3170 PWs) bands (ev): -39.3018 -39.3018 -39.2873 -39.2873 -18.3133 -18.3133 -18.2681 -18.2681 -17.8223 -17.8223 -17.7978 -17.7978 -17.7720 -17.7720 -17.7507 -17.7507 -0.3520 -0.3520 2.5279 2.5279 6.1493 6.1493 7.5084 7.5084 8.1273 8.1273 9.0258 9.0258 9.0498 9.0498 9.8377 9.8377 12.0871 12.0871 12.4758 12.4758 12.4927 12.4927 k = 0.0000 0.0000 0.4633 ( 3166 PWs) bands (ev): -39.3024 -39.3024 -39.2869 -39.2869 -18.3143 -18.3143 -18.2662 -18.2662 -17.8241 -17.8241 -17.7978 -17.7978 -17.7707 -17.7707 -17.7479 -17.7479 -0.4313 -0.4313 2.6234 2.6234 6.1355 6.1355 7.4838 7.4838 8.1171 8.1171 9.1042 9.1042 9.1101 9.1101 9.8985 9.8985 12.0089 12.0089 12.4398 12.4398 12.4635 12.4635 k = 0.0000 0.0000 0.4461 ( 3166 PWs) bands (ev): -39.3030 -39.3030 -39.2866 -39.2866 -18.3154 -18.3154 -18.2643 -18.2643 -17.8258 -17.8258 -17.7978 -17.7978 -17.7694 -17.7694 -17.7451 -17.7451 -0.5080 -0.5080 2.7141 2.7141 6.1306 6.1306 7.4549 7.4549 8.1082 8.1082 9.1696 9.1696 9.1893 9.1893 9.9576 9.9576 11.9309 11.9309 12.4066 12.4066 12.4346 12.4346 k = 0.0000 0.0000 0.4290 ( 3170 PWs) bands (ev): -39.3035 -39.3035 -39.2863 -39.2863 -18.3163 -18.3163 -18.2625 -18.2625 -17.8276 -17.8276 -17.7977 -17.7977 -17.7681 -17.7681 -17.7423 -17.7423 -0.5821 -0.5821 2.7994 2.7994 6.1353 6.1353 7.4229 7.4229 8.1002 8.1002 9.2325 9.2325 9.2751 9.2751 10.0147 10.0147 11.8534 11.8534 12.3769 12.3769 12.4060 12.4060 k = 0.0000 0.0000 0.4118 ( 3182 PWs) bands (ev): -39.3041 -39.3041 -39.2860 -39.2860 -18.3172 -18.3172 -18.2608 -18.2608 -17.8292 -17.8292 -17.7976 -17.7976 -17.7670 -17.7670 -17.7395 -17.7395 -0.6536 -0.6536 2.8789 2.8789 6.1501 6.1501 7.3887 7.3887 8.0932 8.0932 9.2971 9.2971 9.3620 9.3620 10.0692 10.0692 11.7770 11.7770 12.3511 12.3511 12.3777 12.3777 k = 0.0000 0.0000 0.3946 ( 3178 PWs) bands (ev): -39.3046 -39.3046 -39.2857 -39.2857 -18.3181 -18.3181 -18.2590 -18.2590 -17.8308 -17.8308 -17.7974 -17.7974 -17.7657 -17.7657 -17.7367 -17.7367 -0.7225 -0.7225 2.9519 2.9519 6.1754 6.1754 7.3532 7.3532 8.0872 8.0872 9.3634 9.3634 9.4488 9.4488 10.1207 10.1207 11.7024 11.7024 12.3295 12.3295 12.3500 12.3500 k = 0.0000 0.0000 0.3775 ( 3172 PWs) bands (ev): -39.3051 -39.3051 -39.2854 -39.2854 -18.3190 -18.3190 -18.2573 -18.2573 -17.8324 -17.8324 -17.7971 -17.7971 -17.7645 -17.7645 -17.7339 -17.7339 -0.7886 -0.7886 3.0182 3.0182 6.2116 6.2116 7.3169 7.3169 8.0821 8.0821 9.4312 9.4312 9.5341 9.5341 10.1684 10.1684 11.6301 11.6301 12.3118 12.3118 12.3235 12.3235 k = 0.0000 0.0000 0.3603 ( 3168 PWs) bands (ev): -39.3057 -39.3057 -39.2852 -39.2852 -18.3197 -18.3197 -18.2556 -18.2556 -17.8339 -17.8339 -17.7968 -17.7968 -17.7634 -17.7634 -17.7312 -17.7312 -0.8519 -0.8519 3.0775 3.0775 6.2588 6.2588 7.2804 7.2804 8.0777 8.0777 9.5006 9.5006 9.6169 9.6169 10.2116 10.2116 11.5609 11.5609 12.2927 12.2927 12.3036 12.3036 k = 0.0000 0.0000 0.3432 ( 3160 PWs) bands (ev): -39.3062 -39.3062 -39.2849 -39.2849 -18.3205 -18.3205 -18.2539 -18.2539 -17.8353 -17.8353 -17.7964 -17.7964 -17.7623 -17.7623 -17.7285 -17.7285 -0.9126 -0.9126 3.1299 3.1299 6.3169 6.3169 7.2441 7.2441 8.0740 8.0740 9.5713 9.5713 9.6964 9.6964 10.2492 10.2492 11.4956 11.4956 12.2680 12.2680 12.2950 12.2950 k = 0.0000 0.0000 0.3260 ( 3158 PWs) bands (ev): -39.3067 -39.3067 -39.2847 -39.2847 -18.3212 -18.3212 -18.2524 -18.2524 -17.8367 -17.8367 -17.7960 -17.7960 -17.7612 -17.7612 -17.7258 -17.7258 -0.9704 -0.9704 3.1753 3.1753 6.3856 6.3856 7.2083 7.2083 8.0710 8.0710 9.6433 9.6433 9.7716 9.7716 10.2798 10.2798 11.4354 11.4354 12.2430 12.2430 12.2920 12.2920 k = 0.0000 0.0000 0.3089 ( 3158 PWs) bands (ev): -39.3071 -39.3071 -39.2844 -39.2844 -18.3219 -18.3219 -18.2509 -18.2509 -17.8381 -17.8381 -17.7956 -17.7956 -17.7602 -17.7602 -17.7233 -17.7233 -1.0254 -1.0254 3.2141 3.2141 6.4647 6.4647 7.1734 7.1734 8.0686 8.0686 9.7164 9.7164 9.8420 9.8420 10.3021 10.3021 11.3814 11.3814 12.2188 12.2188 12.2936 12.2936 k = 0.0000 0.0000 0.2917 ( 3148 PWs) bands (ev): -39.3076 -39.3076 -39.2842 -39.2842 -18.3225 -18.3225 -18.2494 -18.2494 -17.8394 -17.8394 -17.7951 -17.7951 -17.7591 -17.7591 -17.7207 -17.7207 -1.0776 -1.0776 3.2466 3.2466 6.5535 6.5535 7.1396 7.1396 8.0667 8.0667 9.7906 9.7906 9.9069 9.9069 10.3145 10.3145 11.3349 11.3349 12.1956 12.1956 12.2992 12.2992 k = 0.0000 0.0000 0.2745 ( 3144 PWs) bands (ev): -39.3080 -39.3080 -39.2840 -39.2840 -18.3231 -18.3231 -18.2480 -18.2480 -17.8406 -17.8406 -17.7946 -17.7946 -17.7582 -17.7582 -17.7183 -17.7183 -1.1269 -1.1269 3.2734 3.2734 6.6511 6.6511 7.1072 7.1072 8.0653 8.0653 9.8655 9.8655 9.9660 9.9660 10.3156 10.3156 11.2971 11.2971 12.1735 12.1735 12.3080 12.3080 k = 0.0000 0.0000 0.2574 ( 3140 PWs) bands (ev): -39.3084 -39.3084 -39.2839 -39.2839 -18.3237 -18.3237 -18.2466 -18.2466 -17.8417 -17.8417 -17.7941 -17.7941 -17.7573 -17.7573 -17.7160 -17.7160 -1.1733 -1.1733 3.2950 3.2950 6.7566 6.7566 7.0768 7.0768 8.0643 8.0643 9.9409 9.9409 10.0192 10.0192 10.3041 10.3041 11.2687 11.2687 12.1524 12.1524 12.3193 12.3194 k = 0.0000 0.0000 0.2402 ( 3138 PWs) bands (ev): -39.3088 -39.3088 -39.2837 -39.2837 -18.3242 -18.3242 -18.2454 -18.2454 -17.8428 -17.8428 -17.7936 -17.7936 -17.7565 -17.7565 -17.7138 -17.7138 -1.2168 -1.2168 3.3121 3.3121 6.8675 6.8675 7.0500 7.0500 8.0637 8.0637 10.0165 10.0165 10.0664 10.0664 10.2797 10.2797 11.2499 11.2499 12.1326 12.1326 12.3322 12.3322 k = 0.0000 0.0000 0.2231 ( 3142 PWs) bands (ev): -39.3092 -39.3092 -39.2835 -39.2835 -18.3247 -18.3247 -18.2442 -18.2442 -17.8438 -17.8438 -17.7931 -17.7931 -17.7557 -17.7557 -17.7117 -17.7117 -1.2574 -1.2574 3.3252 3.3252 6.9678 6.9678 7.0422 7.0422 8.0634 8.0634 10.0910 10.0910 10.1080 10.1080 10.2430 10.2430 11.2400 11.2400 12.1140 12.1140 12.3456 12.3456 k = 0.0000 0.0000 0.2059 ( 3142 PWs) bands (ev): -39.3095 -39.3095 -39.2834 -39.2834 -18.3252 -18.3252 -18.2431 -18.2431 -17.8448 -17.8448 -17.7926 -17.7926 -17.7550 -17.7550 -17.7097 -17.7097 -1.2950 -1.2950 3.3350 3.3350 6.9783 6.9783 7.1317 7.1317 8.0633 8.0633 10.1424 10.1424 10.1582 10.1582 10.2029 10.2029 11.2379 11.2379 12.0967 12.0967 12.3585 12.3585 k = 0.0000 0.0000 0.1887 ( 3148 PWs) bands (ev): -39.3099 -39.3099 -39.2833 -39.2833 -18.3257 -18.3257 -18.2421 -18.2421 -17.8457 -17.8457 -17.7922 -17.7922 -17.7543 -17.7543 -17.7079 -17.7079 -1.3297 -1.3297 3.3420 3.3420 6.9580 6.9580 7.2588 7.2588 8.0634 8.0634 10.1250 10.1250 10.1741 10.1741 10.2490 10.2490 11.2420 11.2420 12.0807 12.0807 12.3686 12.3687 k = 0.0000 0.0000 0.1716 ( 3144 PWs) bands (ev): -39.3102 -39.3102 -39.2832 -39.2832 -18.3260 -18.3260 -18.2412 -18.2412 -17.8465 -17.8465 -17.7917 -17.7917 -17.7536 -17.7536 -17.7061 -17.7061 -1.3614 -1.3614 3.3468 3.3468 6.9365 6.9365 7.3929 7.3929 8.0638 8.0638 10.0560 10.0560 10.1998 10.1998 10.3211 10.3211 11.2506 11.2506 12.0661 12.0661 12.3540 12.3541 k = 0.0000 0.0000 0.1544 ( 3148 PWs) bands (ev): -39.3104 -39.3104 -39.2831 -39.2831 -18.3264 -18.3264 -18.2403 -18.2403 -17.8473 -17.8473 -17.7913 -17.7913 -17.7531 -17.7531 -17.7046 -17.7046 -1.3902 -1.3902 3.3497 3.3497 6.9162 6.9162 7.5308 7.5308 8.0643 8.0643 9.9769 9.9769 10.2214 10.2214 10.3927 10.3927 11.2620 11.2620 12.0528 12.0528 12.3273 12.3273 k = 0.0000 0.0000 0.1373 ( 3152 PWs) bands (ev): -39.3107 -39.3107 -39.2830 -39.2830 -18.3267 -18.3267 -18.2396 -18.2396 -17.8479 -17.8479 -17.7909 -17.7909 -17.7526 -17.7526 -17.7032 -17.7032 -1.4159 -1.4159 3.3513 3.3513 6.8977 6.8977 7.6710 7.6710 8.0649 8.0649 9.8900 9.8900 10.2392 10.2392 10.4622 10.4622 11.2751 11.2751 12.0409 12.0409 12.2993 12.2993 k = 0.0000 0.0000 0.1201 ( 3146 PWs) bands (ev): -39.3109 -39.3109 -39.2829 -39.2829 -18.3270 -18.3270 -18.2389 -18.2389 -17.8485 -17.8485 -17.7906 -17.7906 -17.7521 -17.7521 -17.7019 -17.7019 -1.4387 -1.4387 3.3520 3.3520 6.8811 6.8811 7.8121 7.8121 8.0658 8.0658 9.7966 9.7966 10.2537 10.2537 10.5283 10.5283 11.2887 11.2887 12.0304 12.0304 12.2708 12.2709 k = 0.0000 0.0000 0.1030 ( 3147 PWs) bands (ev): -39.3111 -39.3111 -39.2828 -39.2828 -18.3272 -18.3272 -18.2383 -18.2383 -17.8490 -17.8490 -17.7902 -17.7902 -17.7517 -17.7517 -17.7008 -17.7008 -1.4584 -1.4584 3.3519 3.3519 6.8666 6.8666 7.9519 7.9519 8.0676 8.0676 9.6978 9.6978 10.2654 10.2654 10.5900 10.5900 11.3018 11.3018 12.0213 12.0213 12.2425 12.2425 k = 0.0000 0.0000 0.0858 ( 3147 PWs) bands (ev): -39.3112 -39.3112 -39.2827 -39.2827 -18.3274 -18.3274 -18.2378 -18.2378 -17.8495 -17.8495 -17.7899 -17.7899 -17.7514 -17.7514 -17.6998 -17.6998 -1.4751 -1.4751 3.3514 3.3514 6.8543 6.8543 8.0576 8.0576 8.1018 8.1018 9.5949 9.5949 10.2746 10.2746 10.6460 10.6460 11.3140 11.3140 12.0135 12.0135 12.2152 12.2152 k = 0.0000 0.0000 0.0686 ( 3139 PWs) bands (ev): -39.3114 -39.3114 -39.2827 -39.2827 -18.3276 -18.3276 -18.2373 -18.2373 -17.8498 -17.8498 -17.7897 -17.7897 -17.7511 -17.7511 -17.6990 -17.6990 -1.4888 -1.4888 3.3507 3.3507 6.8441 6.8441 8.0642 8.0642 8.2308 8.2308 9.4901 9.4901 10.2816 10.2816 10.6949 10.6949 11.3246 11.3246 12.0072 12.0072 12.1901 12.1901 k = 0.0000 0.0000 0.0515 ( 3143 PWs) bands (ev): -39.3115 -39.3115 -39.2827 -39.2827 -18.3277 -18.3277 -18.2370 -18.2370 -17.8501 -17.8501 -17.7895 -17.7895 -17.7509 -17.7509 -17.6984 -17.6984 -1.4995 -1.4995 3.3500 3.3500 6.8361 6.8361 8.0653 8.0653 8.3572 8.3572 9.3868 9.3868 10.2868 10.2868 10.7352 10.7352 11.3333 11.3333 12.0022 12.0023 12.1685 12.1685 k = 0.0000 0.0000 0.0343 ( 3135 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3278 -18.3278 -18.2368 -18.2368 -17.8503 -17.8503 -17.7893 -17.7893 -17.7507 -17.7507 -17.6980 -17.6980 -1.5071 -1.5071 3.3494 3.3494 6.8305 6.8305 8.0659 8.0659 8.4692 8.4692 9.2919 9.2919 10.2905 10.2905 10.7655 10.7655 11.3396 11.3396 11.9988 11.9988 12.1517 12.1518 k = 0.0000 0.0000 0.0172 ( 3137 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2367 -18.2367 -17.8504 -17.8504 -17.7893 -17.7893 -17.7506 -17.7506 -17.6977 -17.6977 -1.5116 -1.5116 3.3490 3.3490 6.8270 6.8270 8.0661 8.0661 8.5525 8.5525 9.2188 9.2188 10.2925 10.2925 10.7842 10.7842 11.3435 11.3435 11.9967 11.9967 12.1411 12.1411 k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2366 -18.2366 -17.8504 -17.8504 -17.7892 -17.7892 -17.7506 -17.7506 -17.6976 -17.6976 -1.5131 -1.5131 3.3489 3.3489 6.8259 6.8259 8.0662 8.0662 8.5849 8.5849 9.1899 9.1899 10.2932 10.2932 10.7905 10.7905 11.3449 11.3449 11.9960 11.9960 12.1375 12.1375 k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3279 -18.3279 -18.2366 -18.2366 -17.8504 -17.8504 -17.7892 -17.7892 -17.7506 -17.7506 -17.6976 -17.6976 -1.5131 -1.5131 3.3489 3.3489 6.8259 6.8259 8.0662 8.0662 8.5849 8.5849 9.1899 9.1899 10.2932 10.2932 10.7905 10.7905 11.3449 11.3449 11.9960 11.9960 12.1375 12.1375 k =-0.0156 0.0062 0.0000 ( 3139 PWs) bands (ev): -39.3116 -39.3116 -39.2826 -39.2826 -18.3278 -18.3278 -18.2367 -18.2367 -17.8503 -17.8503 -17.7892 -17.7892 -17.7506 -17.7506 -17.6977 -17.6977 -1.5124 -1.5124 3.3459 3.3459 6.8294 6.8294 8.0667 8.0667 8.5845 8.5845 9.1905 9.1905 10.2918 10.2918 10.7915 10.7915 11.3455 11.3455 11.9913 11.9913 12.1423 12.1423 k =-0.0312 0.0124 0.0000 ( 3139 PWs) bands (ev): -39.3115 -39.3115 -39.2827 -39.2827 -18.3277 -18.3277 -18.2369 -18.2369 -17.8501 -17.8501 -17.7892 -17.7892 -17.7507 -17.7507 -17.6979 -17.6979 -1.5100 -1.5100 3.3371 3.3371 6.8398 6.8398 8.0681 8.0681 8.5832 8.5832 9.1925 9.1925 10.2877 10.2877 10.7945 10.7945 11.3474 11.3474 11.9788 11.9788 12.1552 12.1552 k =-0.0469 0.0186-0.0000 ( 3143 PWs) bands (ev): -39.3115 -39.3115 -39.2828 -39.2828 -18.3274 -18.3274 -18.2371 -18.2371 -17.8498 -17.8498 -17.7891 -17.7891 -17.7508 -17.7508 -17.6983 -17.6983 -1.5060 -1.5060 3.3225 3.3225 6.8571 6.8571 8.0704 8.0704 8.5810 8.5810 9.1957 9.1957 10.2811 10.2811 10.7994 10.7994 11.3507 11.3507 11.9615 11.9615 12.1733 12.1733 k =-0.0625 0.0248 0.0000 ( 3145 PWs) bands (ev): -39.3113 -39.3113 -39.2829 -39.2829 -18.3270 -18.3270 -18.2375 -18.2375 -17.8494 -17.8494 -17.7890 -17.7890 -17.7510 -17.7510 -17.6988 -17.6988 -1.5005 -1.5005 3.3024 3.3024 6.8809 6.8809 8.0736 8.0736 8.5781 8.5781 9.2000 9.2000 10.2723 10.2723 10.8062 10.8062 11.3553 11.3553 11.9416 11.9416 12.1944 12.1944 k =-0.0781 0.0311 0.0000 ( 3145 PWs) bands (ev): -39.3112 -39.3112 -39.2830 -39.2830 -18.3266 -18.3266 -18.2380 -18.2380 -17.8488 -17.8488 -17.7889 -17.7889 -17.7512 -17.7512 -17.6995 -17.6995 -1.4935 -1.4935 3.2771 3.2771 6.9110 6.9110 8.0777 8.0777 8.5743 8.5743 9.2050 9.2050 10.2617 10.2617 10.8150 10.8150 11.3613 11.3613 11.9202 11.9202 12.2172 12.2172 k =-0.0938 0.0373-0.0000 ( 3153 PWs) bands (ev): -39.3110 -39.3110 -39.2832 -39.2832 -18.3260 -18.3260 -18.2387 -18.2387 -17.8481 -17.8481 -17.7887 -17.7887 -17.7514 -17.7514 -17.7003 -17.7003 -1.4850 -1.4850 3.2471 3.2471 6.9469 6.9469 8.0827 8.0827 8.5698 8.5698 9.2106 9.2106 10.2498 10.2498 10.8256 10.8256 11.3686 11.3686 11.8983 11.8983 12.2408 12.2408 k =-0.1094 0.0435 0.0000 ( 3157 PWs) bands (ev): -39.3108 -39.3108 -39.2835 -39.2835 -18.3253 -18.3253 -18.2394 -18.2394 -17.8472 -17.8472 -17.7885 -17.7885 -17.7517 -17.7517 -17.7013 -17.7013 -1.4751 -1.4751 3.2128 3.2128 6.9883 6.9883 8.0885 8.0885 8.5645 8.5645 9.2163 9.2163 10.2371 10.2371 10.8381 10.8381 11.3775 11.3775 11.8762 11.8762 12.2640 12.2640 k =-0.1250 0.0497 0.0000 ( 3141 PWs) bands (ev): -39.3105 -39.3105 -39.2837 -39.2837 -18.3245 -18.3245 -18.2402 -18.2402 -17.8462 -17.8462 -17.7882 -17.7882 -17.7520 -17.7520 -17.7023 -17.7023 -1.4638 -1.4638 3.1747 3.1747 7.0346 7.0346 8.0951 8.0951 8.5587 8.5587 9.2217 9.2217 10.2243 10.2243 10.8524 10.8524 11.3880 11.3880 11.8542 11.8542 12.2365 12.2365 k =-0.1406 0.0559-0.0000 ( 3141 PWs) bands (ev): -39.3102 -39.3102 -39.2840 -39.2840 -18.3236 -18.3236 -18.2411 -18.2411 -17.8451 -17.8451 -17.7880 -17.7880 -17.7523 -17.7523 -17.7035 -17.7035 -1.4513 -1.4513 3.1333 3.1333 7.0854 7.0854 8.1024 8.1024 8.5522 8.5522 9.2264 9.2264 10.2117 10.2117 10.8684 10.8684 11.3999 11.3999 11.8325 11.8325 12.1922 12.1922 k =-0.1562 0.0621 0.0000 ( 3145 PWs) bands (ev): -39.3099 -39.3099 -39.2843 -39.2843 -18.3226 -18.3226 -18.2421 -18.2421 -17.8439 -17.8439 -17.7877 -17.7877 -17.7527 -17.7527 -17.7049 -17.7049 -1.4376 -1.4376 3.0890 3.0890 7.1401 7.1401 8.1103 8.1103 8.5452 8.5452 9.2299 9.2299 10.1998 10.1998 10.8861 10.8861 11.4134 11.4134 11.8112 11.8112 12.1448 12.1448 k =-0.1719 0.0683 0.0000 ( 3141 PWs) bands (ev): -39.3096 -39.3096 -39.2847 -39.2847 -18.3215 -18.3215 -18.2432 -18.2432 -17.8426 -17.8426 -17.7875 -17.7875 -17.7531 -17.7531 -17.7063 -17.7063 -1.4228 -1.4228 3.0425 3.0425 7.1984 7.1984 8.1189 8.1189 8.5378 8.5378 9.2320 9.2320 10.1889 10.1889 10.9054 10.9054 11.4285 11.4285 11.7904 11.7904 12.0954 12.0954 k =-0.1875 0.0745-0.0000 ( 3146 PWs) bands (ev): -39.3092 -39.3092 -39.2851 -39.2851 -18.3203 -18.3203 -18.2445 -18.2445 -17.8411 -17.8411 -17.7872 -17.7872 -17.7535 -17.7535 -17.7079 -17.7079 -1.4069 -1.4069 2.9942 2.9942 7.2597 7.2597 8.1280 8.1280 8.5300 8.5300 9.2323 9.2323 10.1791 10.1791 10.9261 10.9261 11.4451 11.4451 11.7702 11.7702 12.0450 12.0450 k =-0.2031 0.0807 0.0000 ( 3148 PWs) bands (ev): -39.3088 -39.3088 -39.2855 -39.2855 -18.3191 -18.3191 -18.2458 -18.2458 -17.8396 -17.8396 -17.7869 -17.7869 -17.7539 -17.7539 -17.7096 -17.7096 -1.3903 -1.3903 2.9446 2.9446 7.3236 7.3236 8.1375 8.1375 8.5220 8.5220 9.2307 9.2307 10.1701 10.1701 10.9483 10.9483 11.4633 11.4633 11.7507 11.7507 11.9947 11.9947 k =-0.2188 0.0870 0.0000 ( 3148 PWs) bands (ev): -39.3083 -39.3083 -39.2859 -39.2859 -18.3177 -18.3177 -18.2472 -18.2472 -17.8380 -17.8380 -17.7867 -17.7867 -17.7543 -17.7543 -17.7114 -17.7114 -1.3728 -1.3728 2.8941 2.8941 7.3895 7.3895 8.1474 8.1474 8.5137 8.5137 9.2272 9.2272 10.1616 10.1616 10.9717 10.9717 11.4832 11.4832 11.7319 11.7319 11.9459 11.9459 k =-0.2344 0.0932-0.0000 ( 3140 PWs) bands (ev): -39.3079 -39.3079 -39.2864 -39.2864 -18.3162 -18.3162 -18.2487 -18.2487 -17.8362 -17.8362 -17.7865 -17.7865 -17.7546 -17.7546 -17.7132 -17.7132 -1.3548 -1.3548 2.8433 2.8433 7.4571 7.4571 8.1576 8.1576 8.5053 8.5053 9.2218 9.2218 10.1529 10.1529 10.9962 10.9962 11.5045 11.5045 11.7139 11.7139 11.8999 11.8999 k =-0.2500 0.0994 0.0000 ( 3150 PWs) bands (ev): -39.3074 -39.3074 -39.2869 -39.2869 -18.3147 -18.3147 -18.2502 -18.2502 -17.8344 -17.8344 -17.7863 -17.7863 -17.7550 -17.7550 -17.7152 -17.7152 -1.3364 -1.3364 2.7926 2.7926 7.5258 7.5258 8.1679 8.1679 8.4969 8.4969 9.2149 9.2149 10.1429 10.1429 11.0217 11.0217 11.5271 11.5271 11.6967 11.6967 11.8579 11.8579 k =-0.2656 0.1056 0.0000 ( 3148 PWs) bands (ev): -39.3069 -39.3069 -39.2874 -39.2874 -18.3131 -18.3131 -18.2519 -18.2519 -17.8325 -17.8325 -17.7862 -17.7862 -17.7553 -17.7553 -17.7171 -17.7171 -1.3176 -1.3176 2.7424 2.7424 7.5953 7.5953 8.1784 8.1784 8.4886 8.4886 9.2070 9.2070 10.1306 10.1306 11.0480 11.0480 11.5511 11.5511 11.6804 11.6804 11.8214 11.8214 k =-0.2812 0.1118-0.0000 ( 3152 PWs) bands (ev): -39.3063 -39.3063 -39.2879 -39.2879 -18.3115 -18.3115 -18.2536 -18.2536 -17.8305 -17.8305 -17.7862 -17.7862 -17.7556 -17.7556 -17.7192 -17.7192 -1.2987 -1.2987 2.6932 2.6932 7.6650 7.6650 8.1888 8.1888 8.4805 8.4805 9.1985 9.1985 10.1148 10.1148 11.0748 11.0748 11.5762 11.5762 11.6650 11.6650 11.7914 11.7914 k =-0.2969 0.1180-0.0000 ( 3144 PWs) bands (ev): -39.3058 -39.3058 -39.2885 -39.2885 -18.3097 -18.3097 -18.2553 -18.2553 -17.8285 -17.8285 -17.7862 -17.7862 -17.7558 -17.7558 -17.7213 -17.7213 -1.2799 -1.2799 2.6453 2.6453 7.7344 7.7344 8.1992 8.1992 8.4726 8.4726 9.1902 9.1902 10.0945 10.0945 11.1021 11.1021 11.6021 11.6021 11.6506 11.6506 11.7688 11.7688 k =-0.3125 0.1242 0.0000 ( 3150 PWs) bands (ev): -39.3052 -39.3052 -39.2891 -39.2891 -18.3079 -18.3079 -18.2572 -18.2572 -17.8264 -17.8264 -17.7864 -17.7864 -17.7559 -17.7559 -17.7234 -17.7234 -1.2614 -1.2614 2.5992 2.5992 7.8030 7.8030 8.2093 8.2093 8.4651 8.4651 9.1826 9.1826 10.0688 10.0688 11.1294 11.1294 11.6273 11.6273 11.6385 11.6385 11.7543 11.7543 k =-0.3281 0.1304 0.0000 ( 3150 PWs) bands (ev): -39.3046 -39.3046 -39.2897 -39.2897 -18.3061 -18.3061 -18.2591 -18.2591 -17.8242 -17.8242 -17.7867 -17.7867 -17.7559 -17.7559 -17.7255 -17.7255 -1.2433 -1.2433 2.5551 2.5551 7.8702 7.8702 8.2191 8.2191 8.4580 8.4580 9.1765 9.1765 10.0372 10.0372 11.1565 11.1565 11.6235 11.6235 11.6569 11.6569 11.7479 11.7479 k =-0.3438 0.1366 0.0000 ( 3146 PWs) bands (ev): -39.3040 -39.3040 -39.2903 -39.2903 -18.3041 -18.3041 -18.2610 -18.2610 -17.8220 -17.8220 -17.7871 -17.7871 -17.7558 -17.7558 -17.7277 -17.7277 -1.2259 -1.2259 2.5135 2.5135 7.9352 7.9352 8.2285 8.2285 8.4515 8.4515 9.1727 9.1727 9.9995 9.9995 11.1832 11.1832 11.6123 11.6123 11.6839 11.6839 11.7491 11.7491 k =-0.3594 0.1429-0.0000 ( 3156 PWs) bands (ev): -39.3033 -39.3033 -39.2909 -39.2909 -18.3022 -18.3022 -18.2631 -18.2631 -17.8198 -17.8198 -17.7877 -17.7877 -17.7555 -17.7555 -17.7298 -17.7298 -1.2093 -1.2093 2.4747 2.4747 7.9973 7.9973 8.2373 8.2373 8.4457 8.4457 9.1720 9.1720 9.9561 9.9561 11.2090 11.2090 11.6018 11.6018 11.7109 11.7109 11.7573 11.7573 k =-0.3750 0.1491-0.0000 ( 3160 PWs) bands (ev): -39.3027 -39.3027 -39.2915 -39.2915 -18.3002 -18.3002 -18.2651 -18.2651 -17.8176 -17.8176 -17.7884 -17.7884 -17.7551 -17.7551 -17.7319 -17.7319 -1.1939 -1.1939 2.4390 2.4390 8.0556 8.0556 8.2455 8.2455 8.4406 8.4406 9.1751 9.1751 9.9075 9.9075 11.2336 11.2336 11.5924 11.5924 11.7372 11.7372 11.7710 11.7710 k =-0.3906 0.1553-0.0000 ( 3160 PWs) bands (ev): -39.3020 -39.3020 -39.2922 -39.2922 -18.2981 -18.2981 -18.2672 -18.2672 -17.8154 -17.8154 -17.7892 -17.7892 -17.7546 -17.7546 -17.7340 -17.7340 -1.1796 -1.1796 2.4068 2.4068 8.1092 8.1092 8.2530 8.2530 8.4365 8.4365 9.1829 9.1829 9.8547 9.8547 11.2567 11.2567 11.5841 11.5841 11.7624 11.7624 11.7889 11.7889 k =-0.4062 0.1615 0.0000 ( 3156 PWs) bands (ev): -39.3014 -39.3014 -39.2929 -39.2929 -18.2960 -18.2960 -18.2693 -18.2693 -17.8132 -17.8132 -17.7903 -17.7903 -17.7539 -17.7539 -17.7361 -17.7361 -1.1669 -1.1669 2.3782 2.3782 8.1571 8.1571 8.2597 8.2597 8.4334 8.4334 9.1959 9.1959 9.7987 9.7987 11.2778 11.2778 11.5768 11.5768 11.7858 11.7858 11.8092 11.8092 k =-0.4219 0.1677 0.0000 ( 3154 PWs) bands (ev): -39.3007 -39.3007 -39.2936 -39.2936 -18.2939 -18.2939 -18.2714 -18.2714 -17.8110 -17.8110 -17.7914 -17.7914 -17.7531 -17.7531 -17.7380 -17.7380 -1.1557 -1.1557 2.3536 2.3536 8.1983 8.1983 8.2655 8.2655 8.4314 8.4314 9.2146 9.2146 9.7407 9.7407 11.2965 11.2965 11.5706 11.5706 11.8071 11.8071 11.8301 11.8302 k =-0.4375 0.1739 0.0000 ( 3154 PWs) bands (ev): -39.3000 -39.3000 -39.2942 -39.2942 -18.2918 -18.2918 -18.2736 -18.2736 -17.8089 -17.8089 -17.7927 -17.7927 -17.7522 -17.7522 -17.7399 -17.7399 -1.1464 -1.1464 2.3331 2.3331 8.2320 8.2320 8.2703 8.2703 8.4306 8.4306 9.2389 9.2389 9.6821 9.6821 11.3125 11.3125 11.5656 11.5656 11.8256 11.8256 11.8500 11.8500 k =-0.4531 0.1801-0.0000 ( 3154 PWs) bands (ev): -39.2993 -39.2993 -39.2949 -39.2949 -18.2897 -18.2897 -18.2757 -18.2757 -17.8069 -17.8069 -17.7940 -17.7940 -17.7511 -17.7511 -17.7418 -17.7418 -1.1390 -1.1390 2.3170 2.3170 8.2579 8.2579 8.2742 8.2742 8.4308 8.4308 9.2683 9.2683 9.6250 9.6250 11.3254 11.3254 11.5616 11.5616 11.8407 11.8407 11.8673 11.8673 k =-0.4688 0.1863-0.0000 ( 3156 PWs) bands (ev): -39.2986 -39.2986 -39.2956 -39.2956 -18.2876 -18.2876 -18.2778 -18.2778 -17.8050 -17.8050 -17.7954 -17.7954 -17.7499 -17.7499 -17.7435 -17.7435 -1.1336 -1.1336 2.3054 2.3054 8.2758 8.2758 8.2771 8.2771 8.4315 8.4315 9.3005 9.3005 9.5724 9.5724 11.3348 11.3348 11.5588 11.5588 11.8518 11.8518 11.8807 11.8807 k =-0.4844 0.1925-0.0000 ( 3154 PWs) bands (ev): -39.2980 -39.2980 -39.2963 -39.2963 -18.2857 -18.2857 -18.2797 -18.2797 -17.8035 -17.8035 -17.7966 -17.7966 -17.7487 -17.7487 -17.7450 -17.7450 -1.1303 -1.1303 2.2984 2.2984 8.2786 8.2786 8.2865 8.2865 8.4324 8.4324 9.3299 9.3299 9.5305 9.5305 11.3406 11.3406 11.5571 11.5571 11.8587 11.8587 11.8891 11.8891 k =-0.5000 0.1988 0.0000 ( 3146 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2847 -18.2847 -18.2807 -18.2807 -17.8028 -17.8028 -17.7972 -17.7972 -17.7480 -17.7480 -17.7459 -17.7459 -1.1292 -1.1292 2.2960 2.2960 8.2792 8.2792 8.2900 8.2900 8.4328 8.4328 9.3434 9.3434 9.5128 9.5128 11.3425 11.3425 11.5565 11.5565 11.8610 11.8610 11.8920 11.8920 k =-0.5000 0.1988 0.0000 ( 3146 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2847 -18.2847 -18.2807 -18.2807 -17.8028 -17.8028 -17.7972 -17.7972 -17.7480 -17.7480 -17.7459 -17.7459 -1.1292 -1.1292 2.2960 2.2960 8.2792 8.2792 8.2900 8.2900 8.4328 8.4328 9.3434 9.3434 9.5128 9.5128 11.3425 11.3425 11.5565 11.5565 11.8610 11.8610 11.8920 11.8920 k =-0.4938 0.2143-0.0000 ( 3150 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2847 -18.2847 -18.2807 -18.2807 -17.8029 -17.8029 -17.7972 -17.7972 -17.7481 -17.7481 -17.7457 -17.7457 -1.1285 -1.1285 2.2973 2.2973 8.2573 8.2573 8.2986 8.2986 8.4325 8.4325 9.3528 9.3528 9.5137 9.5137 11.3432 11.3432 11.5578 11.5578 11.8561 11.8561 11.8917 11.8917 k =-0.4876 0.2299-0.0000 ( 3158 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2848 -18.2848 -18.2807 -18.2807 -17.8032 -17.8032 -17.7971 -17.7971 -17.7484 -17.7484 -17.7454 -17.7454 -1.1263 -1.1263 2.3013 2.3013 8.2137 8.2137 8.3037 8.3037 8.4312 8.4312 9.3796 9.3796 9.5163 9.5163 11.3451 11.3451 11.5616 11.5616 11.8417 11.8417 11.8907 11.8907 k =-0.4814 0.2455-0.0000 ( 3158 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2849 -18.2849 -18.2808 -18.2808 -17.8036 -17.8036 -17.7970 -17.7970 -17.7488 -17.7488 -17.7450 -17.7450 -1.1227 -1.1227 2.3078 2.3078 8.1525 8.1525 8.3053 8.3053 8.4286 8.4286 9.4206 9.4206 9.5208 9.5208 11.3483 11.3483 11.5679 11.5679 11.8183 11.8183 11.8891 11.8891 k =-0.4752 0.2611-0.0000 ( 3158 PWs) bands (ev): -39.2977 -39.2977 -39.2965 -39.2965 -18.2851 -18.2851 -18.2809 -18.2809 -17.8041 -17.8041 -17.7969 -17.7969 -17.7492 -17.7492 -17.7445 -17.7445 -1.1176 -1.1176 2.3170 2.3170 8.0766 8.0766 8.3049 8.3049 8.4245 8.4245 9.4713 9.4713 9.5272 9.5272 11.3529 11.3529 11.5765 11.5765 11.7870 11.7870 11.8866 11.8866 k =-0.4690 0.2766-0.0000 ( 3158 PWs) bands (ev): -39.2977 -39.2977 -39.2964 -39.2964 -18.2853 -18.2853 -18.2811 -18.2811 -17.8047 -17.8047 -17.7968 -17.7968 -17.7496 -17.7496 -17.7440 -17.7440 -1.1111 -1.1111 2.3288 2.3288 7.9888 7.9888 8.3030 8.3030 8.4190 8.4190 9.5220 9.5220 9.5417 9.5417 11.3590 11.3590 11.5874 11.5874 11.7490 11.7490 11.8824 11.8824 k =-0.4629 0.2922-0.0000 ( 3158 PWs) bands (ev): -39.2977 -39.2977 -39.2964 -39.2964 -18.2855 -18.2855 -18.2812 -18.2812 -17.8053 -17.8053 -17.7967 -17.7967 -17.7501 -17.7501 -17.7434 -17.7434 -1.1032 -1.1032 2.3431 2.3431 7.8920 7.8920 8.2998 8.2998 8.4125 8.4125 9.5386 9.5386 9.5950 9.5950 11.3664 11.3664 11.6002 11.6002 11.7056 11.7056 11.8733 11.8733 k =-0.4567 0.3078-0.0000 ( 3154 PWs) bands (ev): -39.2977 -39.2977 -39.2963 -39.2963 -18.2858 -18.2858 -18.2814 -18.2814 -17.8060 -17.8060 -17.7967 -17.7967 -17.7505 -17.7505 -17.7428 -17.7428 -1.0940 -1.0940 2.3600 2.3600 7.7885 7.7885 8.2952 8.2952 8.4053 8.4053 9.5484 9.5484 9.6577 9.6577 11.3754 11.3754 11.6147 11.6147 11.6580 11.6580 11.8349 11.8349 k =-0.4505 0.3234-0.0000 ( 3144 PWs) bands (ev): -39.2978 -39.2978 -39.2961 -39.2961 -18.2861 -18.2861 -18.2816 -18.2816 -17.8068 -17.8068 -17.7967 -17.7967 -17.7509 -17.7509 -17.7422 -17.7422 -1.0835 -1.0835 2.3795 2.3795 7.6798 7.6798 8.2890 8.2890 8.3980 8.3980 9.5579 9.5579 9.7213 9.7213 11.3859 11.3859 11.6056 11.6056 11.6322 11.6322 11.7266 11.7266 k =-0.4443 0.3389-0.0000 ( 3148 PWs) bands (ev): -39.2978 -39.2978 -39.2960 -39.2960 -18.2866 -18.2866 -18.2818 -18.2818 -17.8076 -17.8076 -17.7968 -17.7968 -17.7514 -17.7514 -17.7416 -17.7416 -1.0717 -1.0717 2.4014 2.4014 7.5673 7.5673 8.2809 8.2809 8.3908 8.3908 9.5670 9.5670 9.7842 9.7842 11.3977 11.3977 11.5528 11.5528 11.5973 11.5973 11.6502 11.6502 k =-0.4381 0.3545-0.0000 ( 3140 PWs) bands (ev): -39.2979 -39.2979 -39.2959 -39.2959 -18.2870 -18.2870 -18.2820 -18.2820 -17.8084 -17.8084 -17.7970 -17.7970 -17.7518 -17.7518 -17.7409 -17.7409 -1.0586 -1.0586 2.4258 2.4258 7.4521 7.4521 8.2709 8.2709 8.3841 8.3841 9.5752 9.5752 9.8458 9.8458 11.4100 11.4100 11.4674 11.4674 11.5006 11.5006 11.6683 11.6683 k =-0.4319 0.3701-0.0000 ( 3134 PWs) bands (ev): -39.2980 -39.2980 -39.2957 -39.2957 -18.2875 -18.2875 -18.2822 -18.2822 -17.8093 -17.8093 -17.7972 -17.7972 -17.7522 -17.7522 -17.7402 -17.7402 -1.0445 -1.0445 2.4527 2.4527 7.3350 7.3350 8.2589 8.2589 8.3779 8.3779 9.5815 9.5815 9.9054 9.9054 11.3420 11.3420 11.4141 11.4141 11.4559 11.4559 11.6875 11.6875 k =-0.4257 0.3856-0.0000 ( 3136 PWs) bands (ev): -39.2980 -39.2980 -39.2956 -39.2956 -18.2880 -18.2880 -18.2825 -18.2825 -17.8102 -17.8102 -17.7975 -17.7975 -17.7527 -17.7527 -17.7395 -17.7395 -1.0292 -1.0292 2.4818 2.4818 7.2167 7.2167 8.2450 8.2450 8.3723 8.3723 9.5846 9.5846 9.9630 9.9630 11.2221 11.2221 11.3754 11.3754 11.4556 11.4556 11.7071 11.7071 k =-0.4195 0.4012-0.0000 ( 3140 PWs) bands (ev): -39.2981 -39.2981 -39.2954 -39.2954 -18.2887 -18.2887 -18.2827 -18.2827 -17.8111 -17.8111 -17.7979 -17.7979 -17.7531 -17.7531 -17.7387 -17.7387 -1.0130 -1.0130 2.5134 2.5134 7.0978 7.0978 8.2294 8.2294 8.3672 8.3672 9.5831 9.5831 10.0183 10.0183 11.1099 11.1099 11.3209 11.3209 11.4730 11.4730 11.7266 11.7267 k =-0.4133 0.4168-0.0000 ( 3144 PWs) bands (ev): -39.2982 -39.2982 -39.2952 -39.2952 -18.2893 -18.2893 -18.2830 -18.2830 -17.8120 -17.8120 -17.7983 -17.7983 -17.7535 -17.7535 -17.7380 -17.7380 -0.9958 -0.9958 2.5472 2.5472 6.9789 6.9789 8.2125 8.2125 8.3624 8.3624 9.5751 9.5751 10.0715 10.0715 11.0078 11.0078 11.2648 11.2648 11.4943 11.4943 11.7458 11.7458 k =-0.4071 0.4324-0.0000 ( 3148 PWs) bands (ev): -39.2983 -39.2983 -39.2950 -39.2950 -18.2900 -18.2900 -18.2832 -18.2832 -17.8129 -17.8129 -17.7988 -17.7988 -17.7540 -17.7540 -17.7372 -17.7372 -0.9778 -0.9778 2.5831 2.5831 6.8604 6.8604 8.1946 8.1946 8.3578 8.3578 9.5587 9.5587 10.1225 10.1225 10.9181 10.9181 11.2088 11.2088 11.5181 11.5181 11.7641 11.7641 k =-0.4009 0.4479-0.0000 ( 3160 PWs) bands (ev): -39.2984 -39.2984 -39.2948 -39.2948 -18.2908 -18.2908 -18.2835 -18.2835 -17.8138 -17.8138 -17.7994 -17.7994 -17.7544 -17.7544 -17.7365 -17.7365 -0.9591 -0.9591 2.6213 2.6213 6.7428 6.7428 8.1757 8.1757 8.3529 8.3529 9.5317 9.5317 10.1716 10.1716 10.8429 10.8429 11.1536 11.1536 11.5440 11.5440 11.7812 11.7812 k =-0.3948 0.4635-0.0000 ( 3162 PWs) bands (ev): -39.2985 -39.2985 -39.2946 -39.2946 -18.2915 -18.2915 -18.2837 -18.2837 -17.8147 -17.8147 -17.8000 -17.8000 -17.7549 -17.7549 -17.7357 -17.7357 -0.9397 -0.9397 2.6614 2.6614 6.6264 6.6264 8.1565 8.1565 8.3481 8.3481 9.4928 9.4928 10.2189 10.2189 10.7842 10.7842 11.0995 11.0995 11.5718 11.5718 11.7966 11.7966 k =-0.3886 0.4791-0.0000 ( 3164 PWs) bands (ev): -39.2986 -39.2986 -39.2943 -39.2943 -18.2924 -18.2924 -18.2839 -18.2839 -17.8156 -17.8156 -17.8006 -17.8006 -17.7553 -17.7553 -17.7348 -17.7348 -0.9198 -0.9198 2.7036 2.7036 6.5115 6.5115 8.1369 8.1369 8.3429 8.3429 9.4411 9.4411 10.2647 10.2647 10.7428 10.7428 11.0467 11.0467 11.6014 11.6014 11.8095 11.8095 k =-0.3824 0.4947-0.0000 ( 3162 PWs) bands (ev): -39.2987 -39.2987 -39.2941 -39.2941 -18.2932 -18.2932 -18.2841 -18.2841 -17.8165 -17.8165 -17.8013 -17.8013 -17.7557 -17.7557 -17.7340 -17.7340 -0.8995 -0.8995 2.7476 2.7476 6.3986 6.3986 8.1172 8.1172 8.3373 8.3373 9.3769 9.3769 10.3092 10.3092 10.7185 10.7185 10.9955 10.9955 11.6325 11.6325 11.8121 11.8133 k =-0.3762 0.5102-0.0000 ( 3172 PWs) bands (ev): -39.2988 -39.2988 -39.2939 -39.2939 -18.2941 -18.2941 -18.2843 -18.2843 -17.8174 -17.8174 -17.8020 -17.8020 -17.7561 -17.7561 -17.7331 -17.7331 -0.8789 -0.8789 2.7934 2.7934 6.2880 6.2880 8.0975 8.0975 8.3313 8.3313 9.3015 9.3015 10.3525 10.3525 10.7101 10.7101 10.9459 10.9459 11.6650 11.6650 11.8041 11.8065 k =-0.3700 0.5258-0.0000 ( 3168 PWs) bands (ev): -39.2989 -39.2989 -39.2936 -39.2936 -18.2950 -18.2950 -18.2845 -18.2845 -17.8183 -17.8183 -17.8027 -17.8027 -17.7565 -17.7565 -17.7322 -17.7322 -0.8582 -0.8582 2.8409 2.8409 6.1799 6.1799 8.0782 8.0782 8.3246 8.3246 9.2170 9.2170 10.3950 10.3950 10.7158 10.7158 10.8984 10.8984 11.6986 11.6986 11.7949 11.7950 k =-0.3638 0.5414-0.0000 ( 3168 PWs) bands (ev): -39.2991 -39.2991 -39.2933 -39.2933 -18.2959 -18.2959 -18.2846 -18.2846 -17.8191 -17.8191 -17.8034 -17.8034 -17.7570 -17.7570 -17.7313 -17.7313 -0.8375 -0.8375 2.8900 2.8900 6.0747 6.0747 8.0593 8.0593 8.3174 8.3174 9.1253 9.1253 10.4370 10.4370 10.7333 10.7333 10.8531 10.8531 11.7323 11.7323 11.7860 11.7860 k =-0.3576 0.5570-0.0000 ( 3160 PWs) bands (ev): -39.2992 -39.2992 -39.2931 -39.2931 -18.2968 -18.2968 -18.2847 -18.2847 -17.8200 -17.8200 -17.8041 -17.8041 -17.7574 -17.7574 -17.7303 -17.7303 -0.8170 -0.8170 2.9404 2.9404 5.9725 5.9725 8.0409 8.0409 8.3096 8.3096 9.0287 9.0287 10.4786 10.4786 10.7588 10.7588 10.8122 10.8122 11.7593 11.7593 11.7843 11.7844 k =-0.3514 0.5725-0.0000 ( 3162 PWs) bands (ev): -39.2994 -39.2994 -39.2928 -39.2928 -18.2978 -18.2978 -18.2847 -18.2847 -17.8208 -17.8208 -17.8048 -17.8048 -17.7578 -17.7578 -17.7294 -17.7294 -0.7968 -0.7968 2.9921 2.9921 5.8738 5.8738 8.0231 8.0231 8.3011 8.3011 8.9289 8.9289 10.5199 10.5199 10.7594 10.7594 10.8068 10.8068 11.7581 11.7581 11.8112 11.8112 k =-0.3452 0.5881-0.0000 ( 3154 PWs) bands (ev): -39.2995 -39.2995 -39.2925 -39.2925 -18.2988 -18.2988 -18.2847 -18.2847 -17.8216 -17.8216 -17.8054 -17.8054 -17.7582 -17.7582 -17.7285 -17.7285 -0.7770 -0.7770 3.0449 3.0449 5.7788 5.7788 8.0060 8.0060 8.2920 8.2920 8.8273 8.8273 10.5612 10.5612 10.7239 10.7239 10.8470 10.8470 11.7485 11.7485 11.8386 11.8387 k =-0.3390 0.6037-0.0000 ( 3154 PWs) bands (ev): -39.2997 -39.2997 -39.2922 -39.2922 -18.2998 -18.2998 -18.2847 -18.2847 -17.8225 -17.8225 -17.8061 -17.8061 -17.7587 -17.7587 -17.7275 -17.7275 -0.7579 -0.7579 3.0987 3.0987 5.6876 5.6876 7.9898 7.9898 8.2822 8.2822 8.7253 8.7253 10.6023 10.6023 10.6877 10.6877 10.8963 10.8963 11.7376 11.7376 11.8320 11.8320 k =-0.3328 0.6193-0.0000 ( 3142 PWs) bands (ev): -39.2999 -39.2999 -39.2920 -39.2920 -18.3007 -18.3007 -18.2846 -18.2846 -17.8233 -17.8233 -17.8066 -17.8066 -17.7591 -17.7591 -17.7265 -17.7265 -0.7396 -0.7396 3.1532 3.1532 5.6007 5.6007 7.9745 7.9745 8.2717 8.2717 8.6241 8.6241 10.6405 10.6405 10.6566 10.6566 10.9512 10.9512 11.7263 11.7263 11.8221 11.8221 k =-0.3267 0.6348-0.0000 ( 3146 PWs) bands (ev): -39.3001 -39.3001 -39.2917 -39.2917 -18.3018 -18.3018 -18.2844 -18.2844 -17.8242 -17.8242 -17.8071 -17.8071 -17.7596 -17.7596 -17.7256 -17.7256 -0.7223 -0.7223 3.2082 3.2082 5.5181 5.5181 7.9601 7.9601 8.2603 8.2603 8.5245 8.5245 10.6193 10.6193 10.6874 10.6874 11.0104 11.0104 11.7147 11.7147 11.8095 11.8095 k =-0.3205 0.6504-0.0000 ( 3150 PWs) bands (ev): -39.3003 -39.3003 -39.2914 -39.2914 -18.3028 -18.3028 -18.2843 -18.2843 -17.8251 -17.8251 -17.8076 -17.8076 -17.7601 -17.7601 -17.7246 -17.7246 -0.7062 -0.7062 3.2635 3.2635 5.4403 5.4403 7.9467 7.9467 8.2478 8.2478 8.4278 8.4278 10.5896 10.5896 10.7294 10.7294 11.0733 11.0733 11.7030 11.7030 11.7945 11.7945 k =-0.3143 0.6660-0.0000 ( 3146 PWs) bands (ev): -39.3005 -39.3005 -39.2911 -39.2911 -18.3038 -18.3038 -18.2840 -18.2840 -17.8260 -17.8260 -17.8080 -17.8080 -17.7605 -17.7605 -17.7236 -17.7236 -0.6914 -0.6914 3.3189 3.3189 5.3673 5.3673 7.9342 7.9342 8.2330 8.2330 8.3360 8.3360 10.5621 10.5621 10.7722 10.7722 11.1393 11.1393 11.6910 11.6910 11.7771 11.7771 k =-0.3081 0.6816-0.0000 ( 3144 PWs) bands (ev): -39.3007 -39.3007 -39.2908 -39.2908 -18.3048 -18.3048 -18.2838 -18.2838 -17.8269 -17.8269 -17.8083 -17.8083 -17.7610 -17.7610 -17.7226 -17.7226 -0.6781 -0.6781 3.3740 3.3740 5.2994 5.2994 7.9224 7.9224 8.2069 8.2069 8.2589 8.2589 10.5370 10.5370 10.8155 10.8155 11.2076 11.2076 11.6788 11.6789 11.7576 11.7576 k =-0.3019 0.6971-0.0000 ( 3137 PWs) bands (ev): -39.3009 -39.3009 -39.2905 -39.2905 -18.3058 -18.3058 -18.2834 -18.2834 -17.8277 -17.8277 -17.8085 -17.8085 -17.7615 -17.7615 -17.7216 -17.7216 -0.6665 -0.6665 3.4287 3.4287 5.2369 5.2369 7.9111 7.9111 8.1429 8.1429 8.2241 8.2241 10.5145 10.5145 10.8593 10.8593 11.2778 11.2778 11.6664 11.6664 11.7362 11.7362 k =-0.2957 0.7127-0.0000 ( 3137 PWs) bands (ev): -39.3011 -39.3011 -39.2902 -39.2902 -18.3068 -18.3068 -18.2830 -18.2830 -17.8286 -17.8286 -17.8087 -17.8087 -17.7619 -17.7619 -17.7207 -17.7207 -0.6567 -0.6567 3.4825 3.4825 5.1798 5.1798 7.8990 7.8990 8.0670 8.0670 8.2070 8.2070 10.4944 10.4944 10.9036 10.9036 11.3492 11.3492 11.6536 11.6536 11.7130 11.7130 k =-0.2895 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2826 -18.2826 -17.8295 -17.8295 -17.8088 -17.8088 -17.7624 -17.7624 -17.7197 -17.7197 -0.6489 -0.6489 3.5351 3.5351 5.1285 5.1285 7.8831 7.8831 7.9985 7.9985 8.1925 8.1925 10.4770 10.4770 10.9482 10.9482 11.4210 11.4210 11.6406 11.6406 11.6883 11.6883 k =-0.2895 0.7283-0.0000 ( 3137 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2826 -18.2826 -17.8295 -17.8295 -17.8088 -17.8088 -17.7624 -17.7624 -17.7197 -17.7197 -0.6489 -0.6489 3.5351 3.5351 5.1285 5.1285 7.8831 7.8831 7.9985 7.9985 8.1925 8.1925 10.4770 10.4770 10.9482 10.9482 11.4210 11.4210 11.6406 11.6406 11.6883 11.6883 k =-0.2895 0.7283 0.0172 ( 3145 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2826 -18.2826 -17.8296 -17.8296 -17.8088 -17.8088 -17.7625 -17.7625 -17.7198 -17.7198 -0.6477 -0.6477 3.5347 3.5347 5.1300 5.1300 7.8695 7.8695 8.0056 8.0056 8.1922 8.1922 10.4701 10.4701 10.9540 10.9540 11.4225 11.4225 11.6162 11.6162 11.7159 11.7159 k =-0.2895 0.7283 0.0343 ( 3143 PWs) bands (ev): -39.3013 -39.3013 -39.2899 -39.2899 -18.3078 -18.3078 -18.2827 -18.2827 -17.8297 -17.8297 -17.8087 -17.8087 -17.7625 -17.7625 -17.7199 -17.7199 -0.6440 -0.6440 3.5337 3.5337 5.1344 5.1344 7.8348 7.8348 8.0210 8.0210 8.1915 8.1915 10.4505 10.4505 10.9702 10.9702 11.4240 11.4240 11.5850 11.5850 11.7598 11.7598 k =-0.2895 0.7283 0.0515 ( 3140 PWs) bands (ev): -39.3012 -39.3012 -39.2899 -39.2899 -18.3078 -18.3078 -18.2828 -18.2828 -17.8299 -17.8299 -17.8086 -17.8086 -17.7626 -17.7626 -17.7201 -17.7201 -0.6378 -0.6378 3.5320 3.5320 5.1419 5.1419 7.7868 7.7868 8.0375 8.0375 8.1902 8.1902 10.4205 10.4205 10.9946 10.9946 11.4160 11.4160 11.5700 11.5700 11.8058 11.8058 k =-0.2895 0.7283 0.0686 ( 3136 PWs) bands (ev): -39.3012 -39.3012 -39.2899 -39.2899 -18.3078 -18.3078 -18.2829 -18.2829 -17.8302 -17.8302 -17.8085 -17.8085 -17.7628 -17.7628 -17.7204 -17.7204 -0.6292 -0.6292 3.5294 3.5294 5.1523 5.1523 7.7287 7.7287 8.0527 8.0527 8.1885 8.1885 10.3831 10.3831 11.0244 11.0244 11.3906 11.3906 11.5798 11.5798 11.8523 11.8523 k =-0.2895 0.7283 0.0858 ( 3132 PWs) bands (ev): -39.3011 -39.3011 -39.2899 -39.2899 -18.3078 -18.3078 -18.2831 -18.2831 -17.8306 -17.8306 -17.8084 -17.8084 -17.7630 -17.7630 -17.7207 -17.7207 -0.6181 -0.6181 3.5259 3.5259 5.1656 5.1656 7.6623 7.6623 8.0660 8.0660 8.1862 8.1862 10.3404 10.3404 11.0573 11.0573 11.3518 11.3518 11.6098 11.6098 11.8985 11.8985 k =-0.2895 0.7283 0.1030 ( 3131 PWs) bands (ev): -39.3010 -39.3010 -39.2899 -39.2899 -18.3079 -18.3079 -18.2833 -18.2833 -17.8310 -17.8310 -17.8083 -17.8083 -17.7632 -17.7632 -17.7212 -17.7212 -0.6046 -0.6046 3.5214 3.5214 5.1819 5.1819 7.5888 7.5888 8.0774 8.0774 8.1834 8.1834 10.2942 10.2942 11.0917 11.0917 11.3064 11.3064 11.6521 11.6521 11.9444 11.9444 k =-0.2895 0.7283 0.1201 ( 3141 PWs) bands (ev): -39.3009 -39.3009 -39.2899 -39.2899 -18.3079 -18.3079 -18.2837 -18.2837 -17.8315 -17.8315 -17.8082 -17.8082 -17.7635 -17.7635 -17.7217 -17.7217 -0.5886 -0.5886 3.5156 3.5156 5.2010 5.2010 7.5094 7.5094 8.0870 8.0870 8.1802 8.1802 10.2459 10.2459 11.1260 11.1260 11.2581 11.2581 11.7020 11.7020 11.9898 11.9899 k =-0.2895 0.7283 0.1373 ( 3140 PWs) bands (ev): -39.3008 -39.3008 -39.2899 -39.2899 -18.3080 -18.3080 -18.2840 -18.2840 -17.8320 -17.8320 -17.8081 -17.8081 -17.7638 -17.7638 -17.7223 -17.7223 -0.5702 -0.5702 3.5085 3.5085 5.2230 5.2230 7.4253 7.4253 8.0948 8.0948 8.1767 8.1767 10.1966 10.1966 11.1584 11.1584 11.2097 11.2097 11.7566 11.7566 12.0348 12.0348 k =-0.2895 0.7283 0.1544 ( 3136 PWs) bands (ev): -39.3006 -39.3006 -39.2899 -39.2899 -18.3080 -18.3080 -18.2843 -18.2843 -17.8326 -17.8326 -17.8080 -17.8080 -17.7642 -17.7642 -17.7229 -17.7229 -0.5493 -0.5493 3.4997 3.4997 5.2478 5.2478 7.3377 7.3377 8.1005 8.1005 8.1732 8.1732 10.1469 10.1469 11.1519 11.1519 11.1985 11.1985 11.8140 11.8140 12.0793 12.0793 k =-0.2895 0.7283 0.1716 ( 3132 PWs) bands (ev): -39.3005 -39.3005 -39.2898 -39.2898 -18.3081 -18.3081 -18.2847 -18.2847 -17.8333 -17.8333 -17.8079 -17.8079 -17.7645 -17.7645 -17.7236 -17.7236 -0.5259 -0.5259 3.4891 3.4891 5.2754 5.2754 7.2478 7.2478 8.1033 8.1033 8.1703 8.1703 10.0976 10.0976 11.1027 11.1027 11.2281 11.2281 11.8728 11.8728 12.1235 12.1235 k =-0.2895 0.7283 0.1887 ( 3136 PWs) bands (ev): -39.3003 -39.3003 -39.2898 -39.2898 -18.3082 -18.3082 -18.2852 -18.2852 -17.8339 -17.8339 -17.8079 -17.8079 -17.7649 -17.7649 -17.7244 -17.7244 -0.5002 -0.5002 3.4763 3.4763 5.3057 5.3057 7.1569 7.1569 8.1026 8.1026 8.1685 8.1685 10.0492 10.0492 11.0515 11.0515 11.2579 11.2579 11.9318 11.9318 12.1673 12.1674 k =-0.2895 0.7283 0.2059 ( 3136 PWs) bands (ev): -39.3001 -39.3001 -39.2898 -39.2898 -18.3082 -18.3082 -18.2857 -18.2857 -17.8346 -17.8346 -17.8078 -17.8078 -17.7653 -17.7653 -17.7252 -17.7252 -0.4720 -0.4720 3.4610 3.4610 5.3386 5.3386 7.0660 7.0660 8.0976 8.0976 8.1684 8.1684 10.0022 10.0022 11.0003 11.0003 11.2862 11.2862 11.9902 11.9902 12.2110 12.2110 k =-0.2895 0.7283 0.2231 ( 3136 PWs) bands (ev): -39.2999 -39.2999 -39.2898 -39.2898 -18.3083 -18.3083 -18.2862 -18.2862 -17.8353 -17.8353 -17.8078 -17.8078 -17.7658 -17.7658 -17.7261 -17.7261 -0.4413 -0.4413 3.4430 3.4430 5.3742 5.3742 6.9762 6.9762 8.0882 8.0882 8.1695 8.1695 9.9571 9.9571 10.9493 10.9493 11.3129 11.3129 12.0472 12.0472 12.2544 12.2569 k =-0.2895 0.7283 0.2402 ( 3135 PWs) bands (ev): -39.2997 -39.2997 -39.2898 -39.2898 -18.3084 -18.3084 -18.2867 -18.2867 -17.8360 -17.8360 -17.8078 -17.8078 -17.7662 -17.7662 -17.7269 -17.7269 -0.4083 -0.4083 3.4219 3.4219 5.4123 5.4123 6.8885 6.8885 8.0749 8.0749 8.1714 8.1714 9.9144 9.9144 10.8987 10.8987 11.3380 11.3380 12.1025 12.1025 12.2954 12.2962 k =-0.2895 0.7283 0.2574 ( 3135 PWs) bands (ev): -39.2995 -39.2995 -39.2898 -39.2898 -18.3085 -18.3085 -18.2873 -18.2873 -17.8368 -17.8368 -17.8079 -17.8079 -17.7666 -17.7666 -17.7279 -17.7279 -0.3728 -0.3728 3.3974 3.3974 5.4528 5.4528 6.8038 6.8038 8.0579 8.0579 8.1733 8.1733 9.8743 9.8743 10.8488 10.8488 11.3616 11.3616 12.1559 12.1559 12.3229 12.3229 k =-0.2895 0.7283 0.2745 ( 3141 PWs) bands (ev): -39.2992 -39.2992 -39.2898 -39.2898 -18.3086 -18.3086 -18.2880 -18.2880 -17.8375 -17.8375 -17.8080 -17.8080 -17.7671 -17.7671 -17.7288 -17.7288 -0.3350 -0.3350 3.3691 3.3691 5.4958 5.4958 6.7229 6.7229 8.0374 8.0374 8.1746 8.1746 9.8372 9.8372 10.7996 10.7996 11.3839 11.3839 12.2073 12.2073 12.3499 12.3499 k =-0.2895 0.7283 0.2917 ( 3147 PWs) bands (ev): -39.2990 -39.2990 -39.2898 -39.2898 -18.3087 -18.3087 -18.2886 -18.2886 -17.8383 -17.8383 -17.8081 -17.8081 -17.7675 -17.7675 -17.7298 -17.7298 -0.2948 -0.2948 3.3368 3.3368 5.5409 5.5409 6.6466 6.6466 8.0137 8.0137 8.1748 8.1748 9.8034 9.8034 10.7513 10.7513 11.4051 11.4051 12.2570 12.2570 12.3784 12.3784 k =-0.2895 0.7283 0.3089 ( 3150 PWs) bands (ev): -39.2987 -39.2987 -39.2898 -39.2898 -18.3088 -18.3088 -18.2893 -18.2893 -17.8390 -17.8390 -17.8083 -17.8083 -17.7680 -17.7680 -17.7308 -17.7308 -0.2522 -0.2522 3.3002 3.3002 5.5883 5.5883 6.5756 6.5756 7.9867 7.9867 8.1737 8.1737 9.7731 9.7731 10.7040 10.7040 11.4255 11.4255 12.3051 12.3051 12.4083 12.4083 k =-0.2895 0.7283 0.3260 ( 3156 PWs) bands (ev): -39.2985 -39.2985 -39.2898 -39.2898 -18.3089 -18.3089 -18.2901 -18.2901 -17.8397 -17.8397 -17.8085 -17.8085 -17.7684 -17.7684 -17.7318 -17.7318 -0.2072 -0.2072 3.2591 3.2591 5.6378 5.6378 6.5103 6.5103 7.9565 7.9565 8.1709 8.1709 9.7465 9.7465 10.6577 10.6577 11.4453 11.4453 12.3520 12.3520 12.4394 12.4394 k =-0.2895 0.7283 0.3432 ( 3152 PWs) bands (ev): -39.2982 -39.2982 -39.2898 -39.2898 -18.3090 -18.3090 -18.2908 -18.2908 -17.8404 -17.8404 -17.8088 -17.8088 -17.7688 -17.7688 -17.7327 -17.7327 -0.1599 -0.1599 3.2133 3.2133 5.6892 5.6892 6.4513 6.4513 7.9233 7.9233 8.1661 8.1661 9.7236 9.7236 10.6127 10.6127 11.4648 11.4648 12.3981 12.3981 12.4716 12.4716 k =-0.2895 0.7283 0.3603 ( 3154 PWs) bands (ev): -39.2979 -39.2979 -39.2899 -39.2899 -18.3091 -18.3091 -18.2915 -18.2915 -17.8411 -17.8411 -17.8091 -17.8091 -17.7692 -17.7692 -17.7337 -17.7337 -0.1103 -0.1103 3.1628 3.1628 5.7424 5.7424 6.3989 6.3989 7.8872 7.8872 8.1590 8.1590 9.7046 9.7046 10.5690 10.5690 11.4842 11.4842 12.4435 12.4435 12.5047 12.5047 k =-0.2895 0.7283 0.3775 ( 3160 PWs) bands (ev): -39.2976 -39.2976 -39.2899 -39.2899 -18.3092 -18.3092 -18.2923 -18.2923 -17.8417 -17.8417 -17.8094 -17.8094 -17.7696 -17.7696 -17.7347 -17.7347 -0.0583 -0.0583 3.1075 3.1075 5.7972 5.7972 6.3532 6.3532 7.8483 7.8483 8.1494 8.1494 9.6893 9.6893 10.5265 10.5265 11.5038 11.5038 12.4883 12.4883 12.5383 12.5383 k =-0.2895 0.7283 0.3946 ( 3152 PWs) bands (ev): -39.2974 -39.2974 -39.2899 -39.2899 -18.3093 -18.3093 -18.2931 -18.2931 -17.8423 -17.8423 -17.8098 -17.8098 -17.7700 -17.7700 -17.7356 -17.7356 -0.0040 -0.0040 3.0475 3.0475 5.8536 5.8536 6.3145 6.3145 7.8070 7.8070 8.1373 8.1373 9.6777 9.6777 10.4855 10.4855 11.5238 11.5238 12.5319 12.5319 12.5724 12.5724 k =-0.2895 0.7283 0.4118 ( 3149 PWs) bands (ev): -39.2971 -39.2971 -39.2899 -39.2899 -18.3093 -18.3093 -18.2939 -18.2939 -17.8429 -17.8429 -17.8102 -17.8102 -17.7703 -17.7703 -17.7364 -17.7364 0.0525 0.0525 2.9830 2.9830 5.9112 5.9112 6.2828 6.2828 7.7634 7.7634 8.1222 8.1222 9.6697 9.6697 10.4458 10.4458 11.5444 11.5444 12.5709 12.5709 12.6064 12.6064 k =-0.2895 0.7283 0.4290 ( 3150 PWs) bands (ev): -39.2968 -39.2968 -39.2900 -39.2900 -18.3094 -18.3094 -18.2947 -18.2947 -17.8435 -17.8435 -17.8106 -17.8106 -17.7706 -17.7706 -17.7373 -17.7373 0.1113 0.1113 2.9142 2.9142 5.9698 5.9698 6.2579 6.2579 7.7180 7.7180 8.1040 8.1040 9.6650 9.6650 10.4076 10.4076 11.5657 11.5657 12.5931 12.5931 12.6399 12.6399 k =-0.2895 0.7283 0.4461 ( 3148 PWs) bands (ev): -39.2965 -39.2965 -39.2900 -39.2900 -18.3094 -18.3094 -18.2955 -18.2955 -17.8440 -17.8440 -17.8110 -17.8110 -17.7710 -17.7710 -17.7381 -17.7381 0.1723 0.1723 2.8413 2.8413 6.0290 6.0290 6.2398 6.2398 7.6711 7.6711 8.0827 8.0827 9.6635 9.6635 10.3707 10.3707 11.5879 11.5879 12.5916 12.5917 12.6739 12.6739 k =-0.2895 0.7283 0.4633 ( 3150 PWs) bands (ev): -39.2962 -39.2962 -39.2901 -39.2901 -18.3095 -18.3095 -18.2963 -18.2963 -17.8445 -17.8445 -17.8115 -17.8115 -17.7713 -17.7713 -17.7389 -17.7389 0.2355 0.2355 2.7647 2.7647 6.0882 6.0882 6.2287 6.2287 7.6231 7.6231 8.0582 8.0582 9.6651 9.6651 10.3351 10.3351 11.6111 11.6111 12.5792 12.5792 12.7080 12.7080 k =-0.2895 0.7283 0.4804 ( 3158 PWs) bands (ev): -39.2959 -39.2959 -39.2902 -39.2902 -18.3095 -18.3095 -18.2971 -18.2971 -17.8450 -17.8450 -17.8120 -17.8120 -17.7716 -17.7716 -17.7397 -17.7397 0.3009 0.3009 2.6848 2.6848 6.1458 6.1458 6.2255 6.2255 7.5747 7.5747 8.0304 8.0304 9.6693 9.6693 10.3008 10.3008 11.6355 11.6355 12.5616 12.5616 12.7414 12.7414 k =-0.2895 0.7283 0.4976 ( 3154 PWs) bands (ev): -39.2956 -39.2956 -39.2902 -39.2902 -18.3095 -18.3095 -18.2979 -18.2979 -17.8454 -17.8454 -17.8125 -17.8125 -17.7718 -17.7718 -17.7404 -17.7404 0.3684 0.3684 2.6019 2.6019 6.1936 6.1936 6.2377 6.2377 7.5263 7.5263 7.9995 7.9995 9.6762 9.6762 10.2677 10.2677 11.6611 11.6611 12.5405 12.5405 12.7742 12.7742 k =-0.2895 0.7283 0.5148 ( 3157 PWs) bands (ev): -39.2953 -39.2953 -39.2903 -39.2903 -18.3095 -18.3095 -18.2987 -18.2987 -17.8458 -17.8458 -17.8129 -17.8129 -17.7721 -17.7721 -17.7410 -17.7410 0.4380 0.4380 2.5164 2.5164 6.2149 6.2149 6.2809 6.2809 7.4785 7.4785 7.9653 7.9653 9.6853 9.6853 10.2358 10.2358 11.6879 11.6879 12.5166 12.5166 12.8060 12.8060 k =-0.2895 0.7283 0.5319 ( 3159 PWs) bands (ev): -39.2950 -39.2950 -39.2904 -39.2904 -18.3095 -18.3095 -18.2995 -18.2995 -17.8462 -17.8462 -17.8134 -17.8134 -17.7724 -17.7724 -17.7416 -17.7416 0.5096 0.5096 2.4288 2.4288 6.2282 6.2282 6.3356 6.3356 7.4323 7.4323 7.9280 7.9280 9.6965 9.6965 10.2049 10.2049 11.7161 11.7161 12.4902 12.4902 12.8369 12.8369 k =-0.2895 0.7283 0.5491 ( 3157 PWs) bands (ev): -39.2947 -39.2947 -39.2905 -39.2905 -18.3094 -18.3094 -18.3002 -18.3002 -17.8465 -17.8465 -17.8138 -17.8138 -17.7726 -17.7726 -17.7421 -17.7421 0.5833 0.5833 2.3393 2.3393 6.2437 6.2437 6.3904 6.3904 7.3886 7.3886 7.8878 7.8878 9.7097 9.7097 10.1749 10.1749 11.7456 11.7456 12.4616 12.4616 12.8665 12.8665 k =-0.2895 0.7283 0.5662 ( 3155 PWs) bands (ev): -39.2944 -39.2944 -39.2906 -39.2906 -18.3094 -18.3094 -18.3009 -18.3009 -17.8468 -17.8468 -17.8143 -17.8143 -17.7728 -17.7728 -17.7426 -17.7426 0.6589 0.6589 2.2485 2.2485 6.2626 6.2626 6.4425 6.4425 7.3486 7.3486 7.8448 7.8448 9.7246 9.7246 10.1458 10.1458 11.7763 11.7763 12.4310 12.4310 12.8948 12.8948 k =-0.2895 0.7283 0.5834 ( 3151 PWs) bands (ev): -39.2941 -39.2941 -39.2908 -39.2908 -18.3092 -18.3092 -18.3016 -18.3016 -17.8470 -17.8470 -17.8147 -17.8147 -17.7730 -17.7730 -17.7431 -17.7431 0.7364 0.7364 2.1565 2.1565 6.2849 6.2849 6.4899 6.4899 7.3139 7.3139 7.7994 7.7994 9.7409 9.7409 10.1174 10.1174 11.8084 11.8084 12.3987 12.3987 12.9216 12.9216 k =-0.2895 0.7283 0.6005 ( 3154 PWs) bands (ev): -39.2939 -39.2939 -39.2909 -39.2909 -18.3091 -18.3091 -18.3023 -18.3023 -17.8472 -17.8472 -17.8150 -17.8150 -17.7732 -17.7732 -17.7435 -17.7435 0.8158 0.8158 2.0638 2.0638 6.3102 6.3102 6.5306 6.5306 7.2864 7.2864 7.7517 7.7517 9.7587 9.7587 10.0897 10.0897 11.8416 11.8416 12.3647 12.3647 12.9467 12.9467 k =-0.2895 0.7283 0.6177 ( 3152 PWs) bands (ev): -39.2936 -39.2936 -39.2911 -39.2911 -18.3089 -18.3089 -18.3029 -18.3029 -17.8474 -17.8474 -17.8153 -17.8153 -17.7733 -17.7733 -17.7438 -17.7438 0.8969 0.8969 1.9706 1.9706 6.3382 6.3382 6.5626 6.5626 7.2683 7.2683 7.7021 7.7021 9.7776 9.7776 10.0626 10.0626 11.8760 11.8760 12.3293 12.3293 12.9699 12.9699 k =-0.2895 0.7283 0.6349 ( 3154 PWs) bands (ev): -39.2933 -39.2933 -39.2912 -39.2912 -18.3088 -18.3088 -18.3035 -18.3035 -17.8476 -17.8476 -17.8156 -17.8156 -17.7735 -17.7735 -17.7441 -17.7441 0.9797 0.9797 1.8773 1.8773 6.3683 6.3683 6.5838 6.5838 7.2616 7.2616 7.6511 7.6511 9.7976 9.7976 10.0360 10.0360 11.9115 11.9115 12.2929 12.2929 12.9909 12.9909 k =-0.2895 0.7283 0.6520 ( 3154 PWs) bands (ev): -39.2931 -39.2931 -39.2914 -39.2914 -18.3086 -18.3086 -18.3041 -18.3041 -17.8477 -17.8477 -17.8159 -17.8159 -17.7736 -17.7736 -17.7443 -17.7443 1.0642 1.0642 1.7840 1.7840 6.3999 6.3999 6.5933 6.5933 7.2673 7.2673 7.5991 7.5991 9.8186 9.8186 10.0099 10.0099 11.9479 11.9479 12.2554 12.2554 13.0096 13.0096 k =-0.2895 0.7283 0.6692 ( 3152 PWs) bands (ev): -39.2928 -39.2928 -39.2916 -39.2916 -18.3083 -18.3083 -18.3045 -18.3045 -17.8478 -17.8478 -17.8161 -17.8161 -17.7736 -17.7736 -17.7445 -17.7445 1.1501 1.1501 1.6910 1.6910 6.4324 6.4324 6.5911 6.5911 7.2853 7.2853 7.5468 7.5468 9.8404 9.8404 9.9842 9.9842 11.9851 11.9851 12.2173 12.2173 13.0258 13.0258 k =-0.2895 0.7283 0.6863 ( 3152 PWs) bands (ev): -39.2926 -39.2926 -39.2917 -39.2917 -18.3081 -18.3081 -18.3049 -18.3049 -17.8479 -17.8479 -17.8162 -17.8162 -17.7737 -17.7737 -17.7446 -17.7446 1.2375 1.2375 1.5986 1.5986 6.4647 6.4647 6.5791 6.5791 7.3140 7.3140 7.4949 7.4949 9.8629 9.8629 9.9590 9.9590 12.0229 12.0229 12.1788 12.1788 13.0392 13.0392 k =-0.2895 0.7283 0.7035 ( 3152 PWs) bands (ev): -39.2924 -39.2924 -39.2919 -39.2919 -18.3080 -18.3080 -18.3052 -18.3052 -17.8479 -17.8479 -17.8163 -17.8163 -17.7738 -17.7738 -17.7447 -17.7447 1.3261 1.3261 1.5069 1.5069 6.4948 6.4948 6.5604 6.5604 7.3510 7.3510 7.4448 7.4448 9.8860 9.8860 9.9344 9.9344 12.0610 12.0610 12.1403 12.1403 13.0495 13.0503 k =-0.2895 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3079 -18.3079 -18.3053 -18.3053 -17.8479 -17.8479 -17.8163 -17.8163 -17.7738 -17.7738 -17.7447 -17.7447 1.4140 1.4140 1.4179 1.4179 6.5128 6.5128 6.5461 6.5461 7.3862 7.3862 7.4054 7.4054 9.9072 9.9072 9.9126 9.9126 12.0928 12.0928 12.1083 12.1083 13.0563 13.0587 k =-0.2895 0.7283 0.7207 ( 3152 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3079 -18.3079 -18.3053 -18.3053 -17.8479 -17.8479 -17.8163 -17.8163 -17.7738 -17.7738 -17.7447 -17.7447 1.4140 1.4140 1.4179 1.4179 6.5128 6.5128 6.5461 6.5461 7.3862 7.3862 7.4054 7.4054 9.9072 9.9072 9.9126 9.9126 12.0928 12.0928 12.1083 12.1083 13.0557 13.0587 k =-0.2957 0.7127 0.7207 ( 3150 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3079 -18.3079 -18.3053 -18.3053 -17.8482 -17.8482 -17.8169 -17.8169 -17.7728 -17.7728 -17.7438 -17.7438 1.4147 1.4147 1.4186 1.4186 6.4738 6.4738 6.5056 6.5056 7.4102 7.4102 7.4279 7.4279 9.9362 9.9362 9.9413 9.9413 12.0241 12.0241 12.0409 12.0409 13.0594 13.0618 k =-0.3019 0.6971 0.7207 ( 3154 PWs) bands (ev): -39.2922 -39.2922 -39.2922 -39.2922 -18.3078 -18.3078 -18.3054 -18.3054 -17.8485 -17.8485 -17.8174 -17.8174 -17.7718 -17.7718 -17.7430 -17.7430 1.4145 1.4145 1.4185 1.4185 6.4344 6.4344 6.4646 6.4646 7.4368 7.4368 7.4529 7.4529 9.9672 9.9672 9.9721 9.9721 11.9543 11.9543 11.9722 11.9722 13.0625 13.0645 k =-0.3081 0.6816 0.7207 ( 3146 PWs) bands (ev): -39.2923 -39.2923 -39.2923 -39.2923 -18.3077 -18.3077 -18.3053 -18.3053 -17.8487 -17.8487 -17.8180 -17.8180 -17.7707 -17.7707 -17.7422 -17.7422 1.4136 1.4136 1.4177 1.4177 6.3946 6.3946 6.4233 6.4233 7.4658 7.4658 7.4804 7.4804 10.0003 10.0003 10.0051 10.0051 11.8835 11.8835 11.9026 11.9026 13.0648 13.0653 k =-0.3143 0.6660 0.7207 ( 3154 PWs) bands (ev): -39.2923 -39.2923 -39.2923 -39.2923 -18.3076 -18.3076 -18.3054 -18.3054 -17.8489 -17.8489 -17.8185 -17.8185 -17.7696 -17.7696 -17.7414 -17.7414 1.4120 1.4120 1.4162 1.4162 6.3547 6.3547 6.3818 6.3818 7.4972 7.4972 7.5102 7.5102 10.0356 10.0356 10.0402 10.0402 11.8121 11.8121 11.8322 11.8322 13.0640 13.0662 k =-0.3205 0.6504 0.7207 ( 3154 PWs) bands (ev): -39.2924 -39.2924 -39.2924 -39.2924 -18.3075 -18.3075 -18.3053 -18.3053 -17.8490 -17.8490 -17.8191 -17.8191 -17.7685 -17.7685 -17.7406 -17.7406 1.4098 1.4098 1.4140 1.4140 6.3146 6.3146 6.3403 6.3403 7.5310 7.5310 7.5424 7.5424 10.0732 10.0732 10.0776 10.0776 11.7403 11.7403 11.7612 11.7612 13.0635 13.0643 k =-0.3267 0.6348 0.7207 ( 3154 PWs) bands (ev): -39.2924 -39.2924 -39.2924 -39.2924 -18.3074 -18.3074 -18.3053 -18.3053 -17.8490 -17.8490 -17.8196 -17.8196 -17.7674 -17.7674 -17.7399 -17.7399 1.4070 1.4070 1.4111 1.4111 6.2746 6.2746 6.2988 6.2988 7.5671 7.5671 7.5768 7.5768 10.1130 10.1130 10.1173 10.1173 11.6681 11.6681 11.6898 11.6898 13.0621 13.0627 k =-0.3328 0.6193 0.7207 ( 3134 PWs) bands (ev): -39.2925 -39.2925 -39.2925 -39.2925 -18.3072 -18.3072 -18.3052 -18.3052 -17.8489 -17.8489 -17.8200 -17.8200 -17.7662 -17.7662 -17.7391 -17.7391 1.4036 1.4036 1.4078 1.4078 6.2348 6.2348 6.2576 6.2576 7.6054 7.6054 7.6135 7.6135 10.1550 10.1550 10.1593 10.1593 11.5959 11.5959 11.6183 11.6183 13.0598 13.0606 k =-0.3390 0.6037 0.7207 ( 3142 PWs) bands (ev): -39.2925 -39.2925 -39.2925 -39.2925 -18.3071 -18.3071 -18.3051 -18.3051 -17.8489 -17.8489 -17.8205 -17.8205 -17.7651 -17.7651 -17.7385 -17.7385 1.3997 1.3997 1.4038 1.4038 6.1952 6.1952 6.2166 6.2166 7.6458 7.6458 7.6524 7.6524 10.1992 10.1992 10.2035 10.2035 11.5235 11.5235 11.5466 11.5466 13.0562 13.0569 k =-0.3452 0.5881 0.7207 ( 3142 PWs) bands (ev): -39.2926 -39.2926 -39.2926 -39.2926 -18.3069 -18.3069 -18.3051 -18.3051 -17.8487 -17.8487 -17.8210 -17.8210 -17.7639 -17.7639 -17.7378 -17.7378 1.3952 1.3952 1.3994 1.3994 6.1560 6.1560 6.1761 6.1761 7.6883 7.6883 7.6933 7.6933 10.2457 10.2457 10.2499 10.2499 11.4512 11.4512 11.4749 11.4749 13.0521 13.0529 k =-0.3514 0.5725 0.7207 ( 3138 PWs) bands (ev): -39.2926 -39.2926 -39.2926 -39.2926 -18.3067 -18.3067 -18.3050 -18.3050 -17.8485 -17.8485 -17.8215 -17.8215 -17.7627 -17.7627 -17.7372 -17.7372 1.3904 1.3904 1.3945 1.3945 6.1174 6.1174 6.1362 6.1362 7.7327 7.7327 7.7362 7.7362 10.2944 10.2944 10.2985 10.2985 11.3791 11.3791 11.4033 11.4033 13.0468 13.0479 k =-0.3576 0.5570 0.7207 ( 3146 PWs) bands (ev): -39.2927 -39.2927 -39.2927 -39.2927 -18.3065 -18.3065 -18.3049 -18.3049 -17.8483 -17.8483 -17.8220 -17.8220 -17.7615 -17.7615 -17.7366 -17.7366 1.3851 1.3851 1.3892 1.3892 6.0794 6.0794 6.0969 6.0969 7.7789 7.7789 7.7810 7.7810 10.3451 10.3451 10.3492 10.3492 11.3072 11.3072 11.3320 11.3320 13.0404 13.0409 k =-0.3638 0.5414 0.7207 ( 3146 PWs) bands (ev): -39.2928 -39.2928 -39.2927 -39.2927 -18.3064 -18.3064 -18.3048 -18.3048 -17.8480 -17.8480 -17.8225 -17.8225 -17.7602 -17.7602 -17.7361 -17.7361 1.3796 1.3796 1.3836 1.3836 6.0421 6.0421 6.0586 6.0586 7.8268 7.8268 7.8275 7.8275 10.3979 10.3979 10.4019 10.4019 11.2358 11.2358 11.2611 11.2611 13.0332 13.0336 k =-0.3700 0.5258 0.7207 ( 3146 PWs) bands (ev): -39.2928 -39.2928 -39.2928 -39.2928 -18.3062 -18.3062 -18.3047 -18.3047 -17.8477 -17.8477 -17.8230 -17.8230 -17.7590 -17.7590 -17.7355 -17.7355 1.3738 1.3738 1.3777 1.3777 6.0058 6.0058 6.0211 6.0211 7.8756 7.8756 7.8763 7.8763 10.4527 10.4527 10.4565 10.4565 11.1648 11.1648 11.1906 11.1906 13.0245 13.0247 k =-0.3762 0.5102 0.7207 ( 3146 PWs) bands (ev): -39.2929 -39.2929 -39.2929 -39.2929 -18.3060 -18.3060 -18.3046 -18.3046 -17.8473 -17.8473 -17.8235 -17.8235 -17.7577 -17.7577 -17.7350 -17.7350 1.3678 1.3678 1.3717 1.3717 5.9704 5.9704 5.9847 5.9847 7.9252 7.9252 7.9272 7.9272 10.5093 10.5093 10.5129 10.5129 11.0945 11.0945 11.1208 11.1208 13.0144 13.0144 k =-0.3824 0.4947 0.7207 ( 3142 PWs) bands (ev): -39.2929 -39.2929 -39.2929 -39.2929 -18.3058 -18.3058 -18.3045 -18.3045 -17.8469 -17.8469 -17.8239 -17.8239 -17.7565 -17.7565 -17.7346 -17.7346 1.3617 1.3617 1.3654 1.3654 5.9362 5.9362 5.9494 5.9494 7.9760 7.9760 7.9793 7.9793 10.5677 10.5677 10.5708 10.5708 11.0248 11.0248 11.0520 11.0520 13.0025 13.0027 k =-0.3886 0.4791 0.7207 ( 3138 PWs) bands (ev): -39.2930 -39.2930 -39.2930 -39.2930 -18.3056 -18.3056 -18.3044 -18.3044 -17.8464 -17.8464 -17.8244 -17.8244 -17.7552 -17.7552 -17.7342 -17.7342 1.3555 1.3555 1.3591 1.3591 5.9032 5.9032 5.9154 5.9154 8.0280 8.0280 8.0324 8.0324 10.6276 10.6276 10.6298 10.6298 10.9561 10.9561 10.9844 10.9844 12.9891 12.9894 k =-0.3948 0.4635 0.7207 ( 3138 PWs) bands (ev): -39.2931 -39.2931 -39.2931 -39.2931 -18.3054 -18.3054 -18.3043 -18.3043 -17.8459 -17.8459 -17.8249 -17.8249 -17.7539 -17.7539 -17.7339 -17.7339 1.3492 1.3492 1.3527 1.3527 5.8714 5.8714 5.8827 5.8827 8.0809 8.0809 8.0864 8.0864 10.6885 10.6885 10.6885 10.6885 10.8888 10.8888 10.9193 10.9193 12.9730 12.9735 k =-0.4009 0.4479 0.7207 ( 3140 PWs) bands (ev): -39.2931 -39.2931 -39.2931 -39.2931 -18.3052 -18.3052 -18.3042 -18.3042 -17.8454 -17.8454 -17.8254 -17.8254 -17.7527 -17.7527 -17.7336 -17.7336 1.3430 1.3430 1.3464 1.3464 5.8410 5.8410 5.8515 5.8515 8.1345 8.1345 8.1410 8.1410 10.7413 10.7413 10.7474 10.7474 10.8258 10.8258 10.8626 10.8626 12.9546 12.9556 k =-0.4071 0.4324 0.7207 ( 3136 PWs) bands (ev): -39.2932 -39.2932 -39.2932 -39.2932 -18.3050 -18.3050 -18.3041 -18.3041 -17.8449 -17.8449 -17.8259 -17.8259 -17.7515 -17.7515 -17.7333 -17.7333 1.3369 1.3369 1.3401 1.3401 5.8121 5.8121 5.8218 5.8218 8.1886 8.1886 8.1959 8.1959 10.7458 10.7458 10.7499 10.7499 10.8259 10.8259 10.8525 10.8525 12.9331 12.9355 k =-0.4133 0.4168 0.7207 ( 3144 PWs) bands (ev): -39.2932 -39.2932 -39.2932 -39.2932 -18.3049 -18.3049 -18.3040 -18.3040 -17.8443 -17.8443 -17.8265 -17.8265 -17.7503 -17.7503 -17.7331 -17.7331 1.3309 1.3309 1.3339 1.3339 5.7847 5.7847 5.7936 5.7936 8.2429 8.2429 8.2511 8.2511 10.6850 10.6850 10.7004 10.7004 10.8875 10.8875 10.9025 10.9025 12.9086 12.9113 k =-0.4195 0.4012 0.7207 ( 3144 PWs) bands (ev): -39.2933 -39.2933 -39.2933 -39.2933 -18.3047 -18.3047 -18.3039 -18.3039 -17.8437 -17.8437 -17.8270 -17.8270 -17.7491 -17.7491 -17.7330 -17.7330 1.3251 1.3251 1.3279 1.3279 5.7590 5.7590 5.7671 5.7671 8.2972 8.2972 8.3061 8.3061 10.6224 10.6224 10.6406 10.6406 10.9533 10.9533 10.9652 10.9652 12.8805 12.8823 k =-0.4257 0.3856 0.7207 ( 3154 PWs) bands (ev): -39.2933 -39.2933 -39.2933 -39.2933 -18.3046 -18.3046 -18.3039 -18.3039 -17.8431 -17.8431 -17.8276 -17.8276 -17.7479 -17.7479 -17.7329 -17.7329 1.3195 1.3195 1.3222 1.3222 5.7349 5.7349 5.7422 5.7422 8.3512 8.3512 8.3607 8.3607 10.5608 10.5608 10.5799 10.5799 11.0203 11.0203 11.0310 11.0310 12.8484 12.8522 k =-0.4319 0.3701 0.7207 ( 3154 PWs) bands (ev): -39.2934 -39.2934 -39.2934 -39.2934 -18.3045 -18.3045 -18.3038 -18.3038 -17.8425 -17.8425 -17.8281 -17.8281 -17.7467 -17.7467 -17.7329 -17.7329 1.3142 1.3142 1.3167 1.3167 5.7126 5.7126 5.7192 5.7192 8.4045 8.4045 8.4144 8.4144 10.5010 10.5010 10.5202 10.5202 11.0880 11.0880 11.0980 11.0980 12.8124 12.8146 k =-0.4381 0.3545 0.7207 ( 3158 PWs) bands (ev): -39.2934 -39.2934 -39.2934 -39.2934 -18.3043 -18.3043 -18.3037 -18.3037 -17.8418 -17.8418 -17.8287 -17.8287 -17.7456 -17.7456 -17.7329 -17.7329 1.3092 1.3092 1.3115 1.3115 5.6920 5.6920 5.6980 5.6980 8.4567 8.4567 8.4669 8.4669 10.4433 10.4433 10.4622 10.4622 11.1560 11.1560 11.1655 11.1655 12.7718 12.7728 k =-0.4443 0.3389 0.7207 ( 3156 PWs) bands (ev): -39.2935 -39.2935 -39.2935 -39.2935 -18.3042 -18.3042 -18.3036 -18.3036 -17.8412 -17.8412 -17.8293 -17.8293 -17.7445 -17.7445 -17.7330 -17.7330 1.3046 1.3046 1.3067 1.3067 5.6733 5.6733 5.6786 5.6786 8.5073 8.5073 8.5176 8.5176 10.3882 10.3882 10.4066 10.4066 11.2237 11.2237 11.2329 11.2329 12.7281 12.7298 k =-0.4505 0.3234 0.7207 ( 3160 PWs) bands (ev): -39.2935 -39.2935 -39.2935 -39.2935 -18.3041 -18.3041 -18.3036 -18.3036 -17.8405 -17.8405 -17.8299 -17.8299 -17.7434 -17.7434 -17.7332 -17.7332 1.3004 1.3004 1.3022 1.3022 5.6565 5.6565 5.6611 5.6611 8.5557 8.5557 8.5659 8.5659 10.3362 10.3362 10.3536 10.3536 11.2907 11.2907 11.2995 11.2995 12.6822 12.6825 k =-0.4567 0.3078 0.7207 ( 3168 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.3040 -18.3040 -18.3036 -18.3036 -17.8398 -17.8398 -17.8305 -17.8305 -17.7424 -17.7424 -17.7334 -17.7334 1.2966 1.2966 1.2982 1.2982 5.6416 5.6416 5.6456 5.6456 8.6015 8.6015 8.6114 8.6114 10.2878 10.2878 10.3040 10.3040 11.3562 11.3562 11.3646 11.3646 12.6339 12.6358 k =-0.4629 0.2922 0.7207 ( 3172 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.3039 -18.3039 -18.3036 -18.3036 -17.8391 -17.8391 -17.8311 -17.8311 -17.7415 -17.7415 -17.7337 -17.7337 1.2932 1.2932 1.2947 1.2947 5.6286 5.6286 5.6321 5.6321 8.6439 8.6439 8.6532 8.6532 10.2436 10.2436 10.2584 10.2584 11.4195 11.4195 11.4274 11.4274 12.5850 12.5878 k =-0.4690 0.2766 0.7207 ( 3172 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.3038 -18.3038 -18.3035 -18.3035 -17.8384 -17.8384 -17.8317 -17.8317 -17.7405 -17.7405 -17.7340 -17.7340 1.2904 1.2904 1.2916 1.2916 5.6177 5.6177 5.6205 5.6205 8.6821 8.6821 8.6905 8.6905 10.2045 10.2045 10.2175 10.2175 11.4793 11.4793 11.4866 11.4866 12.5372 12.5376 k =-0.4752 0.2611 0.7207 ( 3172 PWs) bands (ev): -39.2936 -39.2936 -39.2936 -39.2936 -18.3037 -18.3037 -18.3035 -18.3035 -17.8378 -17.8378 -17.8323 -17.8323 -17.7396 -17.7396 -17.7344 -17.7344 1.2881 1.2881 1.2890 1.2890 5.6087 5.6087 5.6110 5.6110 8.7153 8.7153 8.7225 8.7225 10.1712 10.1712 10.1821 10.1821 11.5340 11.5340 11.5405 11.5405 12.4925 12.4949 k =-0.4814 0.2455 0.7207 ( 3172 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3037 -18.3037 -18.3035 -18.3035 -17.8371 -17.8371 -17.8330 -17.8330 -17.7388 -17.7388 -17.7349 -17.7349 1.2863 1.2863 1.2870 1.2870 5.6018 5.6018 5.6035 5.6035 8.7426 8.7426 8.7483 8.7483 10.1445 10.1445 10.1530 10.1530 11.5816 11.5816 11.5869 11.5869 12.4524 12.4544 k =-0.4876 0.2299 0.7207 ( 3164 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3036 -18.3036 -18.3035 -18.3035 -17.8363 -17.8363 -17.8336 -17.8336 -17.7380 -17.7380 -17.7354 -17.7354 1.2850 1.2850 1.2855 1.2855 5.5969 5.5969 5.5981 5.5981 8.7632 8.7632 8.7672 8.7672 10.1253 10.1253 10.1311 10.1311 11.6192 11.6192 11.6232 11.6232 12.4206 12.4215 k =-0.4938 0.2143 0.7207 ( 3156 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3035 -18.3035 -18.3035 -18.3035 -17.8356 -17.8356 -17.8343 -17.8343 -17.7372 -17.7372 -17.7359 -17.7359 1.2843 1.2843 1.2845 1.2845 5.5941 5.5941 5.5947 5.5947 8.7764 8.7764 8.7784 8.7784 10.1140 10.1140 10.1170 10.1170 11.6441 11.6441 11.6462 11.6462 12.4009 12.4017 k =-0.5000 0.1988 0.7207 ( 3148 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3035 -18.3035 -18.3035 -18.3035 -17.8349 -17.8349 -17.8349 -17.8349 -17.7365 -17.7365 -17.7365 -17.7365 1.2841 1.2841 1.2841 1.2841 5.5934 5.5934 5.5934 5.5934 8.7815 8.7815 8.7815 8.7815 10.1113 10.1113 10.1113 10.1113 11.6535 11.6535 11.6535 11.6535 12.3937 12.3937 k =-0.5000 0.1988 0.7207 ( 3148 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3035 -18.3035 -18.3035 -18.3035 -17.8349 -17.8349 -17.8349 -17.8349 -17.7365 -17.7365 -17.7365 -17.7365 1.2841 1.2841 1.2841 1.2841 5.5934 5.5934 5.5934 5.5934 8.7815 8.7815 8.7815 8.7815 10.1113 10.1113 10.1113 10.1113 11.6535 11.6535 11.6535 11.6535 12.3937 12.3937 k =-0.5000 0.1988 0.7035 ( 3156 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3036 -18.3036 -18.3033 -18.3033 -17.8357 -17.8357 -17.8341 -17.8341 -17.7371 -17.7371 -17.7360 -17.7360 1.1814 1.1814 1.3875 1.3875 5.5019 5.5019 5.6884 5.6884 8.7478 8.7478 8.8171 8.8171 10.0681 10.0681 10.1544 10.1544 11.6081 11.6081 11.6997 11.6997 12.3603 12.3603 k =-0.5000 0.1988 0.6863 ( 3160 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3037 -18.3037 -18.3030 -18.3030 -17.8364 -17.8364 -17.8331 -17.8331 -17.7378 -17.7378 -17.7354 -17.7354 1.0795 1.0795 1.4911 1.4911 5.4143 5.4143 5.7865 5.7865 8.7158 8.7158 8.8545 8.8545 10.0249 10.0249 10.1976 10.1976 11.5639 11.5639 11.7468 11.7468 12.3270 12.3270 k =-0.5000 0.1988 0.6692 ( 3160 PWs) bands (ev): -39.2938 -39.2938 -39.2937 -39.2937 -18.3037 -18.3037 -18.3027 -18.3027 -17.8370 -17.8370 -17.8321 -17.8321 -17.7385 -17.7385 -17.7349 -17.7349 0.9788 0.9788 1.5945 1.5945 5.3312 5.3312 5.8873 5.8873 8.6856 8.6856 8.8940 8.8940 9.9817 9.9817 10.2407 10.2407 11.5209 11.5209 11.7946 11.7946 12.2940 12.2940 k =-0.5000 0.1988 0.6520 ( 3162 PWs) bands (ev): -39.2938 -39.2938 -39.2937 -39.2937 -18.3037 -18.3037 -18.3023 -18.3023 -17.8375 -17.8375 -17.8310 -17.8310 -17.7392 -17.7392 -17.7344 -17.7344 0.8794 0.8794 1.6973 1.6973 5.2531 5.2531 5.9905 5.9905 8.6572 8.6572 8.9355 8.9355 9.9386 9.9386 10.2837 10.2837 11.4792 11.4792 11.8429 11.8429 12.2615 12.2615 k =-0.5000 0.1988 0.6349 ( 3166 PWs) bands (ev): -39.2939 -39.2939 -39.2937 -39.2937 -18.3036 -18.3036 -18.3019 -18.3019 -17.8379 -17.8379 -17.8298 -17.8298 -17.7399 -17.7399 -17.7340 -17.7340 0.7815 0.7815 1.7990 1.7990 5.1805 5.1805 6.0958 6.0958 8.6304 8.6304 8.9789 8.9789 9.8957 9.8957 10.3267 10.3267 11.4390 11.4390 11.8916 11.8916 12.2296 12.2296 k =-0.5000 0.1988 0.6177 ( 3174 PWs) bands (ev): -39.2940 -39.2940 -39.2937 -39.2937 -18.3034 -18.3034 -18.3014 -18.3014 -17.8382 -17.8382 -17.8285 -17.8285 -17.7407 -17.7407 -17.7336 -17.7336 0.6853 0.6853 1.8988 1.8988 5.1142 5.1142 6.2029 6.2029 8.6052 8.6052 9.0244 9.0244 9.8529 9.8529 10.3697 10.3697 11.4003 11.4003 11.9406 11.9406 12.1982 12.1982 k =-0.5000 0.1988 0.6005 ( 3170 PWs) bands (ev): -39.2940 -39.2940 -39.2938 -39.2938 -18.3031 -18.3031 -18.3009 -18.3009 -17.8384 -17.8384 -17.8272 -17.8272 -17.7414 -17.7414 -17.7332 -17.7332 0.5910 0.5910 1.9961 1.9961 5.0551 5.0551 6.3114 6.3114 8.5816 8.5816 9.0720 9.0720 9.8106 9.8106 10.4129 10.4129 11.3634 11.3634 11.9898 11.9898 12.1672 12.1672 k =-0.5000 0.1988 0.5834 ( 3178 PWs) bands (ev): -39.2941 -39.2941 -39.2938 -39.2938 -18.3028 -18.3028 -18.3003 -18.3003 -17.8385 -17.8385 -17.8258 -17.8258 -17.7422 -17.7422 -17.7329 -17.7329 0.4985 0.4985 2.0899 2.0899 5.0039 5.0039 6.4210 6.4210 8.5593 8.5593 9.1216 9.1216 9.7686 9.7686 10.4560 10.4560 11.3283 11.3283 12.0389 12.0389 12.1365 12.1365 k =-0.5000 0.1988 0.5662 ( 3178 PWs) bands (ev): -39.2942 -39.2942 -39.2939 -39.2939 -18.3025 -18.3025 -18.2996 -18.2996 -17.8385 -17.8385 -17.8243 -17.8243 -17.7431 -17.7431 -17.7326 -17.7326 0.4081 0.4081 2.1794 2.1794 4.9618 4.9618 6.5314 6.5314 8.5385 8.5385 9.1733 9.1733 9.7272 9.7272 10.4992 10.4992 11.2951 11.2951 12.0871 12.0871 12.1064 12.1064 k =-0.5000 0.1988 0.5491 ( 3186 PWs) bands (ev): -39.2943 -39.2943 -39.2940 -39.2940 -18.3021 -18.3021 -18.2990 -18.2990 -17.8384 -17.8384 -17.8227 -17.8227 -17.7439 -17.7439 -17.7323 -17.7323 0.3198 0.3198 2.2634 2.2634 4.9297 4.9297 6.6422 6.6422 8.5191 8.5191 9.2272 9.2272 9.6864 9.6864 10.5424 10.5424 11.2639 11.2639 12.0739 12.0739 12.1372 12.1372 k =-0.5000 0.1988 0.5319 ( 3186 PWs) bands (ev): -39.2944 -39.2944 -39.2940 -39.2940 -18.3016 -18.3016 -18.2982 -18.2982 -17.8382 -17.8382 -17.8211 -17.8211 -17.7448 -17.7448 -17.7321 -17.7321 0.2337 0.2337 2.3409 2.3409 4.9089 4.9089 6.7531 6.7531 8.5009 8.5009 9.2831 9.2831 9.6466 9.6466 10.5858 10.5858 11.2349 11.2349 12.0423 12.0424 12.1855 12.1855 k =-0.5000 0.1988 0.5148 ( 3174 PWs) bands (ev): -39.2945 -39.2945 -39.2941 -39.2941 -18.3011 -18.3011 -18.2975 -18.2975 -17.8379 -17.8379 -17.8194 -17.8194 -17.7456 -17.7456 -17.7319 -17.7319 0.1499 0.1499 2.4108 2.4108 4.9005 4.9005 6.8638 6.8638 8.4839 8.4839 9.3411 9.3411 9.6080 9.6080 10.6293 10.6293 11.2082 11.2082 12.0100 12.0100 12.2334 12.2334 k =-0.5000 0.1988 0.4976 ( 3174 PWs) bands (ev): -39.2947 -39.2947 -39.2942 -39.2942 -18.3005 -18.3005 -18.2967 -18.2967 -17.8375 -17.8375 -17.8177 -17.8177 -17.7465 -17.7465 -17.7317 -17.7317 0.0684 0.0684 2.4720 2.4720 4.9054 4.9054 6.9737 6.9737 8.4680 8.4680 9.4009 9.4009 9.5708 9.5708 10.6729 10.6729 11.1837 11.1837 11.9769 11.9769 12.2805 12.2805 k =-0.5000 0.1988 0.4804 ( 3162 PWs) bands (ev): -39.2948 -39.2948 -39.2943 -39.2943 -18.2999 -18.2999 -18.2958 -18.2958 -17.8369 -17.8369 -17.8159 -17.8159 -17.7474 -17.7474 -17.7316 -17.7316 -0.0106 -0.0106 2.5239 2.5239 4.9244 4.9244 7.0825 7.0825 8.4532 8.4532 9.4612 9.4612 9.5367 9.5367 10.7165 10.7165 11.1616 11.1616 11.9432 11.9432 12.2958 12.2958 k =-0.5000 0.1988 0.4633 ( 3166 PWs) bands (ev): -39.2949 -39.2949 -39.2944 -39.2944 -18.2992 -18.2992 -18.2950 -18.2950 -17.8364 -17.8364 -17.8141 -17.8141 -17.7483 -17.7483 -17.7315 -17.7315 -0.0873 -0.0873 2.5660 2.5660 4.9580 4.9580 7.1896 7.1896 8.4393 8.4393 9.4905 9.4905 9.5372 9.5372 10.7601 10.7601 11.1421 11.1421 11.9089 11.9089 12.2337 12.2337 k =-0.5000 0.1988 0.4461 ( 3166 PWs) bands (ev): -39.2950 -39.2950 -39.2945 -39.2945 -18.2986 -18.2986 -18.2942 -18.2942 -17.8357 -17.8357 -17.8123 -17.8123 -17.7492 -17.7492 -17.7315 -17.7315 -0.1614 -0.1614 2.5980 2.5980 5.0063 5.0063 7.2947 7.2947 8.4264 8.4264 9.4626 9.4626 9.5988 9.5988 10.8035 10.8035 11.1250 11.1250 11.8745 11.8745 12.1685 12.1685 k =-0.5000 0.1988 0.4290 ( 3168 PWs) bands (ev): -39.2952 -39.2952 -39.2946 -39.2946 -18.2979 -18.2979 -18.2934 -18.2934 -17.8349 -17.8349 -17.8105 -17.8105 -17.7502 -17.7502 -17.7315 -17.7315 -0.2330 -0.2330 2.6204 2.6204 5.0690 5.0690 7.3970 7.3970 8.4143 8.4143 9.4325 9.4325 9.6668 9.6668 10.8467 10.8467 11.1106 11.1106 11.8405 11.8405 12.1010 12.1010 k =-0.5000 0.1988 0.4118 ( 3160 PWs) bands (ev): -39.2953 -39.2953 -39.2947 -39.2947 -18.2972 -18.2972 -18.2925 -18.2925 -17.8341 -17.8341 -17.8087 -17.8087 -17.7510 -17.7510 -17.7315 -17.7315 -0.3020 -0.3020 2.6338 2.6338 5.1455 5.1455 7.4961 7.4961 8.4030 8.4030 9.4042 9.4042 9.7374 9.7374 10.8892 10.8892 11.0988 11.0988 11.8074 11.8074 12.0318 12.0318 k =-0.5000 0.1988 0.3946 ( 3160 PWs) bands (ev): -39.2955 -39.2955 -39.2948 -39.2948 -18.2964 -18.2964 -18.2917 -18.2917 -17.8331 -17.8331 -17.8068 -17.8068 -17.7519 -17.7519 -17.7316 -17.7316 -0.3685 -0.3685 2.6391 2.6391 5.2347 5.2347 7.5913 7.5913 8.3924 8.3924 9.3781 9.3781 9.8102 9.8102 10.9308 10.9308 11.0897 11.0897 11.7757 11.7757 11.9616 11.9616 k =-0.5000 0.1988 0.3775 ( 3160 PWs) bands (ev): -39.2956 -39.2956 -39.2949 -39.2949 -18.2957 -18.2957 -18.2909 -18.2909 -17.8321 -17.8321 -17.8050 -17.8050 -17.7528 -17.7528 -17.7317 -17.7317 -0.4323 -0.4323 2.6373 2.6373 5.3356 5.3356 7.6820 7.6820 8.3825 8.3825 9.3548 9.3548 9.8851 9.8851 10.9708 10.9708 11.0833 11.0833 11.7462 11.7462 11.8910 11.8910 k =-0.5000 0.1988 0.3603 ( 3164 PWs) bands (ev): -39.2957 -39.2957 -39.2950 -39.2950 -18.2950 -18.2950 -18.2901 -18.2901 -17.8311 -17.8311 -17.8033 -17.8033 -17.7537 -17.7537 -17.7319 -17.7319 -0.4934 -0.4934 2.6296 2.6296 5.4471 5.4471 7.7676 7.7676 8.3732 8.3732 9.3345 9.3345 9.9620 9.9620 11.0082 11.0082 11.0797 11.0797 11.7194 11.7194 11.8209 11.8209 k =-0.5000 0.1988 0.3432 ( 3156 PWs) bands (ev): -39.2959 -39.2959 -39.2952 -39.2952 -18.2942 -18.2942 -18.2892 -18.2892 -17.8299 -17.8299 -17.8015 -17.8015 -17.7545 -17.7545 -17.7321 -17.7321 -0.5518 -0.5518 2.6170 2.6170 5.5680 5.5680 7.8473 7.8473 8.3645 8.3645 9.3174 9.3174 10.0408 10.0408 11.0415 11.0415 11.0790 11.0790 11.6959 11.6959 11.7527 11.7527 k =-0.5000 0.1988 0.3260 ( 3160 PWs) bands (ev): -39.2960 -39.2960 -39.2953 -39.2953 -18.2935 -18.2935 -18.2885 -18.2885 -17.8287 -17.8287 -17.7998 -17.7998 -17.7553 -17.7553 -17.7324 -17.7324 -0.6076 -0.6076 2.6007 2.6007 5.6971 5.6971 7.9206 7.9206 8.3563 8.3563 9.3036 9.3036 10.1213 10.1213 11.0673 11.0673 11.0820 11.0820 11.6761 11.6761 11.6889 11.6889 k =-0.5000 0.1988 0.3089 ( 3152 PWs) bands (ev): -39.2962 -39.2962 -39.2954 -39.2954 -18.2927 -18.2927 -18.2877 -18.2877 -17.8274 -17.8274 -17.7982 -17.7982 -17.7559 -17.7559 -17.7327 -17.7327 -0.6605 -0.6605 2.5814 2.5814 5.8334 5.8334 7.9872 7.9872 8.3487 8.3487 9.2933 9.2933 10.2037 10.2037 11.0802 11.0802 11.0903 11.0903 11.6319 11.6319 11.6612 11.6612 k =-0.5000 0.1988 0.2917 ( 3152 PWs) bands (ev): -39.2963 -39.2963 -39.2955 -39.2955 -18.2920 -18.2920 -18.2870 -18.2870 -17.8261 -17.8261 -17.7968 -17.7968 -17.7565 -17.7565 -17.7330 -17.7330 -0.7108 -0.7108 2.5602 2.5602 5.9761 5.9761 8.0466 8.0466 8.3416 8.3416 9.2864 9.2864 10.2877 10.2877 11.0856 11.0856 11.0933 11.0933 11.5880 11.5880 11.6505 11.6505 k =-0.5000 0.1988 0.2745 ( 3152 PWs) bands (ev): -39.2964 -39.2964 -39.2956 -39.2956 -18.2912 -18.2912 -18.2863 -18.2863 -17.8247 -17.8247 -17.7954 -17.7954 -17.7571 -17.7571 -17.7334 -17.7334 -0.7582 -0.7582 2.5376 2.5376 6.1243 6.1243 8.0986 8.0986 8.3349 8.3349 9.2828 9.2828 10.3731 10.3731 11.0692 11.0692 11.0994 11.0994 11.5616 11.5616 11.6446 11.6446 k =-0.5000 0.1988 0.2574 ( 3156 PWs) bands (ev): -39.2966 -39.2966 -39.2957 -39.2957 -18.2905 -18.2905 -18.2856 -18.2856 -17.8233 -17.8233 -17.7942 -17.7942 -17.7575 -17.7575 -17.7339 -17.7339 -0.8029 -0.8029 2.5142 2.5142 6.2771 6.2771 8.1434 8.1434 8.3287 8.3287 9.2822 9.2822 10.4598 10.4598 11.0270 11.0270 11.1105 11.1105 11.5546 11.5546 11.6436 11.6436 k =-0.5000 0.1988 0.2402 ( 3158 PWs) bands (ev): -39.2967 -39.2967 -39.2958 -39.2958 -18.2899 -18.2899 -18.2850 -18.2850 -17.8219 -17.8219 -17.7932 -17.7932 -17.7577 -17.7577 -17.7344 -17.7344 -0.8447 -0.8447 2.4907 2.4907 6.4340 6.4340 8.1811 8.1811 8.3229 8.3229 9.2841 9.2841 10.5474 10.5474 10.9637 10.9637 11.1239 11.1239 11.5641 11.5641 11.6474 11.6474 k =-0.5000 0.1988 0.2231 ( 3162 PWs) bands (ev): -39.2968 -39.2968 -39.2959 -39.2959 -18.2892 -18.2892 -18.2844 -18.2844 -17.8204 -17.8204 -17.7924 -17.7924 -17.7578 -17.7578 -17.7350 -17.7350 -0.8837 -0.8837 2.4674 2.4674 6.5941 6.5941 8.2122 8.2122 8.3176 8.3176 9.2881 9.2881 10.6355 10.6355 10.8846 10.8846 11.1393 11.1393 11.5853 11.5853 11.6558 11.6558 k =-0.5000 0.1988 0.2059 ( 3162 PWs) bands (ev): -39.2969 -39.2969 -39.2960 -39.2960 -18.2886 -18.2886 -18.2839 -18.2839 -17.8189 -17.8189 -17.7918 -17.7918 -17.7578 -17.7578 -17.7356 -17.7356 -0.9199 -0.9199 2.4447 2.4447 6.7570 6.7570 8.2372 8.2372 8.3128 8.3128 9.2935 9.2935 10.7187 10.7187 10.7986 10.7986 11.1564 11.1564 11.6134 11.6134 11.6684 11.6684 k =-0.5000 0.1988 0.1887 ( 3152 PWs) bands (ev): -39.2970 -39.2970 -39.2961 -39.2961 -18.2880 -18.2880 -18.2834 -18.2834 -17.8173 -17.8173 -17.7914 -17.7914 -17.7575 -17.7575 -17.7363 -17.7363 -0.9532 -0.9532 2.4229 2.4229 6.9219 6.9219 8.2569 8.2569 8.3086 8.3086 9.2998 9.2998 10.6820 10.6820 10.8233 10.8233 11.1751 11.1751 11.6453 11.6453 11.6846 11.6846 k =-0.5000 0.1988 0.1716 ( 3150 PWs) bands (ev): -39.2971 -39.2971 -39.2962 -39.2962 -18.2875 -18.2875 -18.2829 -18.2829 -17.8158 -17.8158 -17.7913 -17.7913 -17.7570 -17.7570 -17.7370 -17.7370 -0.9837 -0.9837 2.4023 2.4023 7.0881 7.0881 8.2717 8.2717 8.3052 8.3052 9.3065 9.3065 10.5744 10.5744 10.9108 10.9108 11.1947 11.1947 11.6787 11.6787 11.7039 11.7039 k =-0.5000 0.1988 0.1544 ( 3150 PWs) bands (ev): -39.2972 -39.2972 -39.2963 -39.2963 -18.2869 -18.2869 -18.2825 -18.2825 -17.8142 -17.8142 -17.7914 -17.7914 -17.7564 -17.7564 -17.7377 -17.7377 -1.0113 -1.0113 2.3831 2.3831 7.2548 7.2548 8.2818 8.2818 8.3034 8.3034 9.3132 9.3132 10.4582 10.4582 10.9998 10.9998 11.2152 11.2152 11.7116 11.7116 11.7259 11.7260 k =-0.5000 0.1988 0.1373 ( 3158 PWs) bands (ev): -39.2973 -39.2973 -39.2963 -39.2963 -18.2865 -18.2865 -18.2821 -18.2821 -17.8127 -17.8127 -17.7917 -17.7917 -17.7557 -17.7557 -17.7386 -17.7386 -1.0360 -1.0360 2.3656 2.3656 7.4209 7.4209 8.2865 8.2865 8.3043 8.3043 9.3193 9.3193 10.3360 10.3360 11.0881 11.0881 11.2359 11.2359 11.7410 11.7410 11.7515 11.7515 k =-0.5000 0.1988 0.1201 ( 3162 PWs) bands (ev): -39.2974 -39.2974 -39.2964 -39.2964 -18.2861 -18.2861 -18.2818 -18.2818 -17.8111 -17.8111 -17.7921 -17.7921 -17.7549 -17.7549 -17.7395 -17.7395 -1.0578 -1.0578 2.3497 2.3497 7.5855 7.5855 8.2869 8.2869 8.3077 8.3077 9.3250 9.3250 10.2097 10.2097 11.1743 11.1743 11.2564 11.2564 11.7658 11.7658 11.7801 11.7801 k =-0.5000 0.1988 0.1030 ( 3164 PWs) bands (ev): -39.2974 -39.2974 -39.2965 -39.2965 -18.2858 -18.2858 -18.2815 -18.2815 -17.8096 -17.8096 -17.7928 -17.7928 -17.7539 -17.7539 -17.7404 -17.7404 -1.0768 -1.0768 2.3358 2.3358 7.7467 7.7467 8.2856 8.2856 8.3117 8.3117 9.3299 9.3299 10.0807 10.0807 11.2569 11.2569 11.2766 11.2766 11.7882 11.7882 11.8077 11.8077 k =-0.5000 0.1988 0.0858 ( 3168 PWs) bands (ev): -39.2975 -39.2975 -39.2965 -39.2965 -18.2854 -18.2854 -18.2813 -18.2813 -17.8081 -17.8081 -17.7936 -17.7936 -17.7529 -17.7529 -17.7414 -17.7414 -1.0928 -1.0928 2.3238 2.3238 7.9020 7.9020 8.2840 8.2840 8.3158 8.3158 9.3340 9.3340 9.9516 9.9516 11.2940 11.2940 11.3359 11.3359 11.8086 11.8086 11.8323 11.8323 k =-0.5000 0.1988 0.0686 ( 3160 PWs) bands (ev): -39.2975 -39.2975 -39.2966 -39.2966 -18.2852 -18.2852 -18.2811 -18.2811 -17.8066 -17.8066 -17.7944 -17.7944 -17.7518 -17.7518 -17.7424 -17.7424 -1.1059 -1.1059 2.3139 2.3139 8.0469 8.0469 8.2825 8.2825 8.3211 8.3211 9.3374 9.3374 9.8257 9.8257 11.3104 11.3104 11.4067 11.4067 11.8265 11.8265 11.8533 11.8533 k =-0.5000 0.1988 0.0515 ( 3150 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2849 -18.2849 -18.2809 -18.2809 -17.8053 -17.8053 -17.7953 -17.7953 -17.7506 -17.7506 -17.7434 -17.7434 -1.1161 -1.1161 2.3061 2.3061 8.1724 8.1724 8.2813 8.2813 8.3313 8.3313 9.3400 9.3400 9.7084 9.7084 11.3239 11.3239 11.4677 11.4677 11.8412 11.8412 11.8700 11.8700 k =-0.5000 0.1988 0.0343 ( 3150 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2848 -18.2848 -18.2808 -18.2808 -17.8041 -17.8041 -17.7962 -17.7962 -17.7495 -17.7495 -17.7444 -17.7444 -1.1234 -1.1234 2.3005 2.3005 8.2557 8.2557 8.2806 8.2806 8.3608 8.3608 9.3418 9.3418 9.6084 9.6084 11.3341 11.3341 11.5154 11.5154 11.8521 11.8521 11.8821 11.8821 k =-0.5000 0.1988 0.0172 ( 3150 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2847 -18.2847 -18.2807 -18.2807 -17.8032 -17.8032 -17.7969 -17.7969 -17.7485 -17.7485 -17.7454 -17.7454 -1.1278 -1.1278 2.2971 2.2971 8.2790 8.2790 8.2851 8.2851 8.4100 8.4100 9.3430 9.3430 9.5384 9.5384 11.3404 11.3404 11.5459 11.5459 11.8588 11.8588 11.8895 11.8895 k =-0.5000 0.1988 0.0000 ( 3146 PWs) bands (ev): -39.2976 -39.2976 -39.2966 -39.2966 -18.2847 -18.2847 -18.2807 -18.2807 -17.8028 -17.8028 -17.7972 -17.7972 -17.7480 -17.7480 -17.7459 -17.7459 -1.1292 -1.1292 2.2960 2.2960 8.2792 8.2792 8.2900 8.2900 8.4328 8.4328 9.3434 9.3434 9.5128 9.5128 11.3425 11.3425 11.5565 11.5565 11.8610 11.8610 11.8920 11.8920 k = 0.0000 0.0000 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2940 -18.2940 -18.2940 -18.2940 -17.7961 -17.7961 -17.7961 -17.7961 -17.7838 -17.7838 -17.7838 -17.7838 0.9943 0.9943 0.9943 0.9943 6.9542 6.9542 6.9542 6.9542 8.4158 8.4158 8.4158 8.4158 8.9706 8.9706 8.9706 8.9706 12.7730 12.7730 12.7730 12.7730 12.8805 12.8805 k =-0.0156 0.0062 0.7207 ( 3162 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2940 -18.2940 -18.2940 -18.2940 -17.7965 -17.7965 -17.7965 -17.7965 -17.7833 -17.7833 -17.7833 -17.7833 0.9949 0.9949 0.9949 0.9949 6.9493 6.9493 6.9493 6.9493 8.4166 8.4166 8.4166 8.4166 8.9748 8.9748 8.9748 8.9748 12.7698 12.7698 12.7698 12.7698 12.8823 12.8823 k =-0.0312 0.0124 0.7207 ( 3170 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2941 -18.2941 -18.2941 -18.2941 -17.7977 -17.7977 -17.7977 -17.7977 -17.7821 -17.7821 -17.7821 -17.7821 0.9967 0.9967 0.9968 0.9968 6.9348 6.9348 6.9348 6.9348 8.4187 8.4187 8.4188 8.4188 8.9872 8.9872 8.9872 8.9872 12.7602 12.7602 12.7602 12.7602 12.8875 12.8875 k =-0.0469 0.0186 0.7207 ( 3172 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2942 -18.2942 -18.2942 -18.2942 -17.7994 -17.7994 -17.7994 -17.7994 -17.7804 -17.7804 -17.7804 -17.7804 0.9998 0.9998 0.9998 0.9998 6.9112 6.9112 6.9112 6.9112 8.4224 8.4224 8.4224 8.4224 9.0074 9.0074 9.0074 9.0074 12.7445 12.7445 12.7445 12.7445 12.8960 12.8960 k =-0.0625 0.0248 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2943 -18.2943 -18.2943 -18.2943 -17.8012 -17.8012 -17.8012 -17.8012 -17.7784 -17.7784 -17.7784 -17.7784 1.0041 1.0041 1.0041 1.0041 6.8792 6.8792 6.8792 6.8792 8.4274 8.4274 8.4274 8.4274 9.0347 9.0347 9.0347 9.0347 12.7229 12.7229 12.7229 12.7229 12.9074 12.9074 k =-0.0781 0.0311 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2946 -18.2946 -18.2946 -18.2946 -17.8032 -17.8032 -17.8032 -17.8032 -17.7763 -17.7763 -17.7763 -17.7763 1.0095 1.0095 1.0095 1.0095 6.8397 6.8397 6.8397 6.8397 8.4338 8.4338 8.4338 8.4338 9.0682 9.0682 9.0682 9.0682 12.6957 12.6957 12.6957 12.6957 12.9210 12.9210 k =-0.0938 0.0373 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2948 -18.2948 -18.2948 -18.2948 -17.8051 -17.8051 -17.8051 -17.8051 -17.7741 -17.7741 -17.7741 -17.7741 1.0161 1.0161 1.0161 1.0161 6.7938 6.7938 6.7938 6.7938 8.4417 8.4417 8.4417 8.4417 9.1071 9.1071 9.1071 9.1071 12.6635 12.6635 12.6635 12.6635 12.9361 12.9361 k =-0.1094 0.0435 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2951 -18.2951 -18.2951 -18.2951 -17.8071 -17.8071 -17.8071 -17.8071 -17.7719 -17.7719 -17.7719 -17.7719 1.0238 1.0238 1.0238 1.0238 6.7423 6.7423 6.7423 6.7423 8.4508 8.4508 8.4508 8.4508 9.1504 9.1504 9.1504 9.1504 12.6266 12.6266 12.6266 12.6266 12.9521 12.9521 k =-0.1250 0.0497 0.7207 ( 3182 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2954 -18.2954 -18.2954 -18.2954 -17.8091 -17.8091 -17.8091 -17.8091 -17.7696 -17.7696 -17.7696 -17.7696 1.0325 1.0325 1.0325 1.0325 6.6863 6.6863 6.6863 6.6863 8.4612 8.4612 8.4612 8.4612 9.1972 9.1972 9.1972 9.1972 12.5858 12.5858 12.5858 12.5858 12.9682 12.9682 k =-0.1406 0.0559 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2958 -18.2958 -18.2958 -18.2958 -17.8111 -17.8111 -17.8111 -17.8111 -17.7674 -17.7674 -17.7674 -17.7674 1.0421 1.0421 1.0421 1.0421 6.6269 6.6269 6.6269 6.6269 8.4728 8.4728 8.4728 8.4728 9.2466 9.2466 9.2466 9.2466 12.5414 12.5414 12.5414 12.5414 12.9835 12.9835 k =-0.1562 0.0621 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2961 -18.2961 -18.2961 -18.2961 -17.8130 -17.8130 -17.8130 -17.8130 -17.7651 -17.7651 -17.7651 -17.7651 1.0527 1.0527 1.0527 1.0527 6.5647 6.5647 6.5647 6.5647 8.4856 8.4856 8.4856 8.4856 9.2980 9.2980 9.2980 9.2980 12.4942 12.4942 12.4942 12.4942 12.9974 12.9974 k =-0.1719 0.0683 0.7207 ( 3182 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2966 -18.2966 -18.2966 -18.2966 -17.8148 -17.8148 -17.8148 -17.8148 -17.7629 -17.7629 -17.7629 -17.7629 1.0641 1.0641 1.0641 1.0641 6.5007 6.5007 6.5007 6.5007 8.4994 8.4994 8.4994 8.4994 9.3506 9.3506 9.3506 9.3506 12.4445 12.4445 12.4445 12.4445 13.0092 13.0092 k =-0.1875 0.0745 0.7207 ( 3170 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2970 -18.2970 -18.2970 -18.2970 -17.8166 -17.8166 -17.8166 -17.8166 -17.7608 -17.7608 -17.7608 -17.7608 1.0762 1.0762 1.0763 1.0763 6.4356 6.4356 6.4356 6.4356 8.5142 8.5142 8.5142 8.5142 9.4040 9.4040 9.4040 9.4040 12.3931 12.3931 12.3931 12.3931 13.0178 13.0179 k =-0.2031 0.0807 0.7207 ( 3176 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2974 -18.2974 -18.2974 -18.2974 -17.8183 -17.8183 -17.8183 -17.8183 -17.7587 -17.7587 -17.7587 -17.7587 1.0890 1.0890 1.0890 1.0890 6.3699 6.3699 6.3699 6.3699 8.5298 8.5298 8.5298 8.5298 9.4575 9.4575 9.4575 9.4575 12.3403 12.3403 12.3403 12.3403 13.0219 13.0219 k =-0.2188 0.0870 0.7207 ( 3176 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2979 -18.2979 -18.2979 -18.2979 -17.8200 -17.8200 -17.8200 -17.8200 -17.7566 -17.7566 -17.7566 -17.7566 1.1023 1.1023 1.1023 1.1023 6.3044 6.3044 6.3044 6.3044 8.5462 8.5462 8.5462 8.5462 9.5109 9.5109 9.5109 9.5109 12.2868 12.2868 12.2868 12.2868 13.0185 13.0185 k =-0.2344 0.0932 0.7207 ( 3172 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2983 -18.2983 -18.2983 -18.2983 -17.8215 -17.8215 -17.8215 -17.8215 -17.7546 -17.7546 -17.7546 -17.7546 1.1160 1.1160 1.1161 1.1161 6.2395 6.2395 6.2395 6.2395 8.5632 8.5632 8.5632 8.5632 9.5637 9.5637 9.5637 9.5637 12.2329 12.2329 12.2329 12.2329 13.0032 13.0032 k =-0.2500 0.0994 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2988 -18.2988 -18.2988 -18.2988 -17.8230 -17.8230 -17.8230 -17.8230 -17.7527 -17.7527 -17.7527 -17.7527 1.1301 1.1301 1.1301 1.1301 6.1757 6.1757 6.1757 6.1757 8.5806 8.5806 8.5806 8.5806 9.6155 9.6155 9.6155 9.6155 12.1792 12.1792 12.1792 12.1792 12.9727 12.9727 k =-0.2656 0.1056 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2993 -18.2993 -18.2993 -18.2993 -17.8245 -17.8245 -17.8244 -17.8244 -17.7509 -17.7509 -17.7509 -17.7509 1.1443 1.1443 1.1443 1.1443 6.1135 6.1135 6.1135 6.1135 8.5984 8.5984 8.5984 8.5984 9.6662 9.6662 9.6662 9.6662 12.1261 12.1261 12.1261 12.1261 12.9295 12.9295 k =-0.2812 0.1118 0.7207 ( 3182 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.2997 -18.2997 -18.2997 -18.2997 -17.8258 -17.8258 -17.8258 -17.8258 -17.7492 -17.7492 -17.7492 -17.7492 1.1585 1.1585 1.1585 1.1585 6.0533 6.0533 6.0533 6.0533 8.6164 8.6164 8.6164 8.6164 9.7155 9.7155 9.7155 9.7155 12.0740 12.0740 12.0740 12.0740 12.8791 12.8791 k =-0.2969 0.1180 0.7207 ( 3188 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3002 -18.3002 -18.3002 -18.3002 -17.8271 -17.8271 -17.8271 -17.8271 -17.7475 -17.7475 -17.7475 -17.7475 1.1726 1.1726 1.1727 1.1727 5.9955 5.9955 5.9955 5.9955 8.6344 8.6344 8.6344 8.6344 9.7631 9.7631 9.7631 9.7631 12.0233 12.0233 12.0233 12.0233 12.8257 12.8257 k =-0.3125 0.1242 0.7207 ( 3188 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3007 -18.3007 -18.3007 -18.3007 -17.8282 -17.8282 -17.8282 -17.8282 -17.7460 -17.7460 -17.7460 -17.7460 1.1865 1.1865 1.1865 1.1865 5.9405 5.9405 5.9405 5.9405 8.6522 8.6522 8.6522 8.6522 9.8087 9.8087 9.8087 9.8087 11.9745 11.9745 11.9745 11.9745 12.7720 12.7720 k =-0.3281 0.1304 0.7207 ( 3184 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3011 -18.3011 -18.3011 -18.3011 -17.8293 -17.8293 -17.8293 -17.8293 -17.7445 -17.7445 -17.7445 -17.7445 1.2000 1.2000 1.2001 1.2001 5.8885 5.8885 5.8885 5.8885 8.6696 8.6696 8.6696 8.6696 9.8522 9.8522 9.8522 9.8522 11.9279 11.9279 11.9279 11.9279 12.7193 12.7193 k =-0.3438 0.1366 0.7207 ( 3172 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3014 -18.3014 -18.3014 -18.3014 -17.8302 -17.8302 -17.8302 -17.8302 -17.7432 -17.7432 -17.7432 -17.7432 1.2130 1.2130 1.2130 1.2130 5.8400 5.8400 5.8400 5.8400 8.6865 8.6865 8.6865 8.6865 9.8933 9.8933 9.8933 9.8933 11.8839 11.8839 11.8839 11.8839 12.6687 12.6687 k =-0.3594 0.1429 0.7207 ( 3176 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3018 -18.3018 -18.3018 -18.3018 -17.8312 -17.8312 -17.8312 -17.8312 -17.7419 -17.7419 -17.7419 -17.7419 1.2253 1.2253 1.2253 1.2253 5.7951 5.7951 5.7951 5.7951 8.7026 8.7026 8.7026 8.7026 9.9316 9.9316 9.9316 9.9316 11.8429 11.8429 11.8429 11.8429 12.6209 12.6209 k =-0.3750 0.1491 0.7207 ( 3174 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3022 -18.3022 -18.3022 -18.3022 -17.8319 -17.8319 -17.8319 -17.8319 -17.7408 -17.7408 -17.7408 -17.7408 1.2368 1.2368 1.2368 1.2368 5.7542 5.7542 5.7542 5.7542 8.7177 8.7177 8.7177 8.7177 9.9670 9.9670 9.9670 9.9670 11.8051 11.8051 11.8051 11.8051 12.5764 12.5764 k =-0.3906 0.1553 0.7207 ( 3178 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3025 -18.3025 -18.3025 -18.3025 -17.8327 -17.8327 -17.8327 -17.8327 -17.7399 -17.7399 -17.7399 -17.7399 1.2472 1.2472 1.2472 1.2472 5.7174 5.7174 5.7174 5.7174 8.7316 8.7316 8.7316 8.7316 9.9991 9.9991 9.9991 9.9991 11.7709 11.7709 11.7709 11.7709 12.5358 12.5358 k =-0.4062 0.1615 0.7207 ( 3174 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3027 -18.3027 -18.3027 -18.3027 -17.8333 -17.8333 -17.8333 -17.8333 -17.7390 -17.7390 -17.7390 -17.7390 1.2566 1.2566 1.2566 1.2566 5.6851 5.6851 5.6851 5.6851 8.7442 8.7442 8.7442 8.7442 10.0278 10.0278 10.0278 10.0278 11.7407 11.7407 11.7407 11.7407 12.4996 12.4996 k =-0.4219 0.1677 0.7207 ( 3174 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3030 -18.3030 -18.3030 -18.3030 -17.8338 -17.8338 -17.8338 -17.8338 -17.7383 -17.7383 -17.7383 -17.7383 1.2648 1.2648 1.2648 1.2648 5.6575 5.6575 5.6575 5.6575 8.7551 8.7551 8.7551 8.7551 10.0526 10.0526 10.0526 10.0526 11.7145 11.7145 11.7145 11.7145 12.4681 12.4681 k =-0.4375 0.1739 0.7207 ( 3168 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3032 -18.3032 -18.3032 -18.3032 -17.8342 -17.8342 -17.8342 -17.8342 -17.7376 -17.7376 -17.7376 -17.7376 1.2716 1.2716 1.2716 1.2716 5.6346 5.6346 5.6346 5.6346 8.7644 8.7644 8.7644 8.7644 10.0734 10.0734 10.0734 10.0734 11.6928 11.6928 11.6928 11.6928 12.4418 12.4418 k =-0.4531 0.1801 0.7207 ( 3156 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3033 -18.3033 -18.3033 -18.3033 -17.8345 -17.8345 -17.8345 -17.8345 -17.7371 -17.7371 -17.7371 -17.7371 1.2770 1.2770 1.2770 1.2770 5.6166 5.6166 5.6166 5.6166 8.7718 8.7718 8.7718 8.7718 10.0898 10.0898 10.0898 10.0898 11.6757 11.6757 11.6757 11.6757 12.4210 12.4210 k =-0.4688 0.1863 0.7207 ( 3156 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3034 -18.3034 -18.3034 -18.3034 -17.8348 -17.8348 -17.8348 -17.8348 -17.7368 -17.7368 -17.7368 -17.7368 1.2810 1.2810 1.2810 1.2810 5.6037 5.6037 5.6037 5.6037 8.7771 8.7771 8.7771 8.7771 10.1017 10.1017 10.1017 10.1017 11.6634 11.6634 11.6634 11.6634 12.4059 12.4059 k =-0.4844 0.1925 0.7207 ( 3152 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3035 -18.3035 -18.3035 -18.3035 -17.8349 -17.8349 -17.8349 -17.8349 -17.7366 -17.7366 -17.7366 -17.7366 1.2834 1.2834 1.2834 1.2834 5.5960 5.5960 5.5960 5.5960 8.7804 8.7804 8.7804 8.7804 10.1089 10.1089 10.1089 10.1089 11.6559 11.6559 11.6559 11.6560 12.3967 12.3967 k =-0.5000 0.1988 0.7207 ( 3148 PWs) bands (ev): -39.2937 -39.2937 -39.2937 -39.2937 -18.3035 -18.3035 -18.3035 -18.3035 -17.8349 -17.8349 -17.8349 -17.8349 -17.7365 -17.7365 -17.7365 -17.7365 1.2841 1.2841 1.2841 1.2841 5.5934 5.5934 5.5934 5.5934 8.7815 8.7815 8.7815 8.7815 10.1113 10.1113 10.1113 10.1113 11.6535 11.6535 11.6535 11.6535 12.3937 12.3937 Writing output data file ScGe.save init_run : 0.21s CPU 0.84s WALL ( 1 calls) electrons : 241.85s CPU 246.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 241.84s CPU 246.30s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 438 calls) cegterg : 230.95s CPU 234.67s WALL ( 1464 calls) Called by sum_band: Called by *egterg: h_psi : 101.38s CPU 103.15s WALL ( 27134 calls) s_psi : 6.39s CPU 6.35s WALL ( 27134 calls) g_psi : 0.36s CPU 0.31s WALL ( 25232 calls) cdiaghg : 111.71s CPU 113.71s WALL ( 25670 calls) cegterg:over : 6.86s CPU 6.95s WALL ( 25232 calls) cegterg:upda : 6.16s CPU 6.10s WALL ( 25232 calls) cegterg:last : 2.66s CPU 2.74s WALL ( 2909 calls) cdiaghg:chol : 5.49s CPU 5.91s WALL ( 25670 calls) cdiaghg:inve : 3.13s CPU 3.11s WALL ( 25670 calls) cdiaghg:para : 6.48s CPU 6.51s WALL ( 51340 calls) Called by h_psi: h_psi:vloc : 89.22s CPU 91.17s WALL ( 27134 calls) h_psi:vnl : 11.94s CPU 11.72s WALL ( 27134 calls) add_vuspsi : 5.91s CPU 5.91s WALL ( 27134 calls) General routines calbec : 5.93s CPU 5.74s WALL ( 27134 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.85s CPU 81.43s WALL ( 1337672 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.30s WALL ( 876 calls) Parallel routines fft_scatter : 33.16s CPU 33.85s WALL ( 1337695 calls) PWSCF : 4m15.97s CPU 4m37.91s WALL This run was terminated on: 18:41:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=