Program PWSCF v.5.1.1 starts on 21Jul2015 at 7:16: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrGe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 26 7 1175 550 87 Max 44 27 8 1179 564 92 Sum 2077 1261 369 56497 26799 4309 bravais-lattice index = 14 lattice parameter (alat) = 11.7094 a.u. unit-cell volume = 783.2883 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.709426 celldm(2)= 1.000000 celldm(3)= 0.676203 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.692412 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.692412 0.721502 0.000000 ) a(3) = ( 0.000000 0.000000 0.676203 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.959682 -0.000000 ) b(2) = ( 0.000000 1.385997 -0.000000 ) b(3) = ( 0.000000 0.000000 1.478845 ) PseudoPot. # 1 for Ge read from file: /home/autes/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 Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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) Sr 10.00 87.62000 Sr( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0075753 0.0177692 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0151506 0.0355384 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0227259 0.0533076 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0303012 0.0710768 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0378764 0.0888460 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0454517 0.1066152 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0530270 0.1243844 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0606023 0.1421536 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0681776 0.1599228 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0757529 0.1776920 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0833282 0.1954612 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0909035 0.2132304 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0984788 0.2309996 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1060540 0.2487688 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1136293 0.2665380 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1212046 0.2843072 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1287799 0.3020764 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1363552 0.3198456 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1439305 0.3376148 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1515058 0.3553840 -0.0000000), wk = 0.0026178 k( 22) = ( 0.1590811 0.3731532 -0.0000000), wk = 0.0026178 k( 23) = ( 0.1666564 0.3909223 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1742317 0.4086915 -0.0000000), wk = 0.0026178 k( 25) = ( 0.1818069 0.4264607 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1893822 0.4442299 -0.0000000), wk = 0.0026178 k( 27) = ( 0.1969575 0.4619991 -0.0000000), wk = 0.0026178 k( 28) = ( 0.2045328 0.4797683 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2121081 0.4975375 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2196834 0.5153067 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2272587 0.5330759 -0.0000000), wk = 0.0026178 k( 32) = ( 0.2348340 0.5508451 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2424093 0.5686143 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2499845 0.5863835 -0.0000000), wk = 0.0026178 k( 35) = ( 0.2575598 0.6041527 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2651351 0.6219219 -0.0000000), wk = 0.0026178 k( 37) = ( 0.2727104 0.6396911 -0.0000000), wk = 0.0026178 k( 38) = ( 0.2802857 0.6574603 -0.0000000), wk = 0.0026178 k( 39) = ( 0.2878610 0.6752295 -0.0000000), wk = 0.0026178 k( 40) = ( 0.2954363 0.6929987 -0.0000000), wk = 0.0026178 k( 41) = ( 0.2954363 0.6929987 -0.0000000), wk = 0.0026178 k( 42) = ( 0.2757405 0.6929987 -0.0000000), wk = 0.0026178 k( 43) = ( 0.2560448 0.6929987 -0.0000000), wk = 0.0026178 k( 44) = ( 0.2363490 0.6929987 -0.0000000), wk = 0.0026178 k( 45) = ( 0.2166533 0.6929987 -0.0000000), wk = 0.0026178 k( 46) = ( 0.1969575 0.6929987 -0.0000000), wk = 0.0026178 k( 47) = ( 0.1772618 0.6929987 -0.0000000), wk = 0.0026178 k( 48) = ( 0.1575660 0.6929987 -0.0000000), wk = 0.0026178 k( 49) = ( 0.1378703 0.6929987 -0.0000000), wk = 0.0026178 k( 50) = ( 0.1181745 0.6929987 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0984788 0.6929987 -0.0000000), wk = 0.0026178 k( 52) = ( 0.0787830 0.6929987 -0.0000000), wk = 0.0026178 k( 53) = ( 0.0590873 0.6929987 -0.0000000), wk = 0.0026178 k( 54) = ( 0.0393915 0.6929987 -0.0000000), wk = 0.0026178 k( 55) = ( 0.0196958 0.6929987 -0.0000000), wk = 0.0026178 k( 56) = ( 0.0000000 0.6929987 -0.0000000), wk = 0.0026178 k( 57) = ( 0.0000000 0.6929987 -0.0000000), wk = 0.0026178 k( 58) = ( 0.0000000 0.6929987 0.0194585), wk = 0.0026178 k( 59) = ( 0.0000000 0.6929987 0.0389170), wk = 0.0026178 k( 60) = ( 0.0000000 0.6929987 0.0583755), wk = 0.0026178 k( 61) = ( 0.0000000 0.6929987 0.0778340), wk = 0.0026178 k( 62) = ( 0.0000000 0.6929987 0.0972924), wk = 0.0026178 k( 63) = ( 0.0000000 0.6929987 0.1167509), wk = 0.0026178 k( 64) = ( 0.0000000 0.6929987 0.1362094), wk = 0.0026178 k( 65) = ( 0.0000000 0.6929987 0.1556679), wk = 0.0026178 k( 66) = ( 0.0000000 0.6929987 0.1751264), wk = 0.0026178 k( 67) = ( 0.0000000 0.6929987 0.1945849), wk = 0.0026178 k( 68) = ( 0.0000000 0.6929987 0.2140434), wk = 0.0026178 k( 69) = ( 0.0000000 0.6929987 0.2335019), wk = 0.0026178 k( 70) = ( 0.0000000 0.6929987 0.2529604), wk = 0.0026178 k( 71) = ( 0.0000000 0.6929987 0.2724189), wk = 0.0026178 k( 72) = ( 0.0000000 0.6929987 0.2918774), wk = 0.0026178 k( 73) = ( 0.0000000 0.6929987 0.3113359), wk = 0.0026178 k( 74) = ( 0.0000000 0.6929987 0.3307943), wk = 0.0026178 k( 75) = ( 0.0000000 0.6929987 0.3502528), wk = 0.0026178 k( 76) = ( 0.0000000 0.6929987 0.3697113), wk = 0.0026178 k( 77) = ( 0.0000000 0.6929987 0.3891698), wk = 0.0026178 k( 78) = ( 0.0000000 0.6929987 0.4086283), wk = 0.0026178 k( 79) = ( 0.0000000 0.6929987 0.4280868), wk = 0.0026178 k( 80) = ( 0.0000000 0.6929987 0.4475453), wk = 0.0026178 k( 81) = ( 0.0000000 0.6929987 0.4670038), wk = 0.0026178 k( 82) = ( 0.0000000 0.6929987 0.4864623), wk = 0.0026178 k( 83) = ( 0.0000000 0.6929987 0.5059208), wk = 0.0026178 k( 84) = ( 0.0000000 0.6929987 0.5253793), wk = 0.0026178 k( 85) = ( 0.0000000 0.6929987 0.5448377), wk = 0.0026178 k( 86) = ( 0.0000000 0.6929987 0.5642962), wk = 0.0026178 k( 87) = ( 0.0000000 0.6929987 0.5837547), wk = 0.0026178 k( 88) = ( 0.0000000 0.6929987 0.6032132), wk = 0.0026178 k( 89) = ( 0.0000000 0.6929987 0.6226717), wk = 0.0026178 k( 90) = ( 0.0000000 0.6929987 0.6421302), wk = 0.0026178 k( 91) = ( 0.0000000 0.6929987 0.6615887), wk = 0.0026178 k( 92) = ( 0.0000000 0.6929987 0.6810472), wk = 0.0026178 k( 93) = ( 0.0000000 0.6929987 0.7005057), wk = 0.0026178 k( 94) = ( 0.0000000 0.6929987 0.7199642), wk = 0.0026178 k( 95) = ( 0.0000000 0.6929987 0.7394227), wk = 0.0026178 k( 96) = ( 0.0000000 0.6929987 0.7394227), wk = 0.0026178 k( 97) = ( 0.0196958 0.6929987 0.7394227), wk = 0.0026178 k( 98) = ( 0.0393915 0.6929987 0.7394227), wk = 0.0026178 k( 99) = ( 0.0590873 0.6929987 0.7394227), wk = 0.0026178 k( 100) = ( 0.0787830 0.6929987 0.7394227), wk = 0.0026178 k( 101) = ( 0.0984788 0.6929987 0.7394227), wk = 0.0026178 k( 102) = ( 0.1181745 0.6929987 0.7394227), wk = 0.0026178 k( 103) = ( 0.1378703 0.6929987 0.7394227), wk = 0.0026178 k( 104) = ( 0.1575660 0.6929987 0.7394227), wk = 0.0026178 k( 105) = ( 0.1772618 0.6929987 0.7394227), wk = 0.0026178 k( 106) = ( 0.1969575 0.6929987 0.7394227), wk = 0.0026178 k( 107) = ( 0.2166533 0.6929987 0.7394227), wk = 0.0026178 k( 108) = ( 0.2363490 0.6929987 0.7394227), wk = 0.0026178 k( 109) = ( 0.2560448 0.6929987 0.7394227), wk = 0.0026178 k( 110) = ( 0.2757405 0.6929987 0.7394227), wk = 0.0026178 k( 111) = ( 0.2954363 0.6929987 0.7394227), wk = 0.0026178 k( 112) = ( 0.2954363 0.6929987 0.7394227), wk = 0.0026178 k( 113) = ( 0.2878610 0.6752295 0.7394227), wk = 0.0026178 k( 114) = ( 0.2802857 0.6574603 0.7394227), wk = 0.0026178 k( 115) = ( 0.2727104 0.6396911 0.7394227), wk = 0.0026178 k( 116) = ( 0.2651351 0.6219219 0.7394227), wk = 0.0026178 k( 117) = ( 0.2575598 0.6041527 0.7394227), wk = 0.0026178 k( 118) = ( 0.2499845 0.5863835 0.7394227), wk = 0.0026178 k( 119) = ( 0.2424093 0.5686143 0.7394227), wk = 0.0026178 k( 120) = ( 0.2348340 0.5508451 0.7394227), wk = 0.0026178 k( 121) = ( 0.2272587 0.5330759 0.7394227), wk = 0.0026178 k( 122) = ( 0.2196834 0.5153067 0.7394227), wk = 0.0026178 k( 123) = ( 0.2121081 0.4975375 0.7394227), wk = 0.0026178 k( 124) = ( 0.2045328 0.4797683 0.7394227), wk = 0.0026178 k( 125) = ( 0.1969575 0.4619991 0.7394227), wk = 0.0026178 k( 126) = ( 0.1893822 0.4442299 0.7394227), wk = 0.0026178 k( 127) = ( 0.1818069 0.4264607 0.7394227), wk = 0.0026178 k( 128) = ( 0.1742317 0.4086915 0.7394227), wk = 0.0026178 k( 129) = ( 0.1666564 0.3909223 0.7394227), wk = 0.0026178 k( 130) = ( 0.1590811 0.3731532 0.7394227), wk = 0.0026178 k( 131) = ( 0.1515058 0.3553840 0.7394227), wk = 0.0026178 k( 132) = ( 0.1439305 0.3376148 0.7394227), wk = 0.0026178 k( 133) = ( 0.1363552 0.3198456 0.7394227), wk = 0.0026178 k( 134) = ( 0.1287799 0.3020764 0.7394227), wk = 0.0026178 k( 135) = ( 0.1212046 0.2843072 0.7394227), wk = 0.0026178 k( 136) = ( 0.1136293 0.2665380 0.7394227), wk = 0.0026178 k( 137) = ( 0.1060540 0.2487688 0.7394227), wk = 0.0026178 k( 138) = ( 0.0984788 0.2309996 0.7394227), wk = 0.0026178 k( 139) = ( 0.0909035 0.2132304 0.7394227), wk = 0.0026178 k( 140) = ( 0.0833282 0.1954612 0.7394227), wk = 0.0026178 k( 141) = ( 0.0757529 0.1776920 0.7394227), wk = 0.0026178 k( 142) = ( 0.0681776 0.1599228 0.7394227), wk = 0.0026178 k( 143) = ( 0.0606023 0.1421536 0.7394227), wk = 0.0026178 k( 144) = ( 0.0530270 0.1243844 0.7394227), wk = 0.0026178 k( 145) = ( 0.0454517 0.1066152 0.7394227), wk = 0.0026178 k( 146) = ( 0.0378764 0.0888460 0.7394227), wk = 0.0026178 k( 147) = ( 0.0303012 0.0710768 0.7394227), wk = 0.0026178 k( 148) = ( 0.0227259 0.0533076 0.7394227), wk = 0.0026178 k( 149) = ( 0.0151506 0.0355384 0.7394227), wk = 0.0026178 k( 150) = ( 0.0075753 0.0177692 0.7394227), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.7394227), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.7394227), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.7199642), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.7005057), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.6810472), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.6615887), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.6421302), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.6226717), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.6032132), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.5837547), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.5642962), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.5448377), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.5253793), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.5059208), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.4864623), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.4670038), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.4475453), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.4280868), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.4086283), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.3891698), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.3697113), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.3502528), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.3307943), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.3113359), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.2918774), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.2724189), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.2529604), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.2335019), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.2140434), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.1945849), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.1751264), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.1556679), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.1362094), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.1167509), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.0972924), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.0778340), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.0583755), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.0389170), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.0194585), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 192) = ( -0.0178571 0.0076128 0.0000000), wk = 0.0026178 k( 193) = ( -0.0357143 0.0152256 0.0000000), wk = 0.0026178 k( 194) = ( -0.0535714 0.0228383 0.0000000), wk = 0.0026178 k( 195) = ( -0.0714286 0.0304511 0.0000000), wk = 0.0026178 k( 196) = ( -0.0892857 0.0380639 0.0000000), wk = 0.0026178 k( 197) = ( -0.1071429 0.0456767 0.0000000), wk = 0.0026178 k( 198) = ( -0.1250000 0.0532895 0.0000000), wk = 0.0026178 k( 199) = ( -0.1428571 0.0609023 0.0000000), wk = 0.0026178 k( 200) = ( -0.1607143 0.0685150 0.0000000), wk = 0.0026178 k( 201) = ( -0.1785714 0.0761278 0.0000000), wk = 0.0026178 k( 202) = ( -0.1964286 0.0837406 0.0000000), wk = 0.0026178 k( 203) = ( -0.2142857 0.0913534 0.0000000), wk = 0.0026178 k( 204) = ( -0.2321429 0.0989662 0.0000000), wk = 0.0026178 k( 205) = ( -0.2500000 0.1065789 0.0000000), wk = 0.0026178 k( 206) = ( -0.2678571 0.1141917 0.0000000), wk = 0.0026178 k( 207) = ( -0.2857143 0.1218045 0.0000000), wk = 0.0026178 k( 208) = ( -0.3035714 0.1294173 0.0000000), wk = 0.0026178 k( 209) = ( -0.3214286 0.1370301 0.0000000), wk = 0.0026178 k( 210) = ( -0.3392857 0.1446429 0.0000000), wk = 0.0026178 k( 211) = ( -0.3571429 0.1522556 0.0000000), wk = 0.0026178 k( 212) = ( -0.3750000 0.1598684 0.0000000), wk = 0.0026178 k( 213) = ( -0.3928571 0.1674812 0.0000000), wk = 0.0026178 k( 214) = ( -0.4107143 0.1750940 0.0000000), wk = 0.0026178 k( 215) = ( -0.4285714 0.1827068 0.0000000), wk = 0.0026178 k( 216) = ( -0.4464286 0.1903195 0.0000000), wk = 0.0026178 k( 217) = ( -0.4642857 0.1979323 0.0000000), wk = 0.0026178 k( 218) = ( -0.4821429 0.2055451 0.0000000), wk = 0.0026178 k( 219) = ( -0.5000000 0.2131579 0.0000000), wk = 0.0026178 k( 220) = ( -0.5000000 0.2131579 0.0000000), wk = 0.0026178 k( 221) = ( -0.4924236 0.2309298 -0.0000000), wk = 0.0026178 k( 222) = ( -0.4848471 0.2487017 -0.0000000), wk = 0.0026178 k( 223) = ( -0.4772707 0.2664735 -0.0000000), wk = 0.0026178 k( 224) = ( -0.4696943 0.2842454 -0.0000000), wk = 0.0026178 k( 225) = ( -0.4621178 0.3020173 -0.0000000), wk = 0.0026178 k( 226) = ( -0.4545414 0.3197892 -0.0000000), wk = 0.0026178 k( 227) = ( -0.4469650 0.3375611 -0.0000000), wk = 0.0026178 k( 228) = ( -0.4393885 0.3553329 -0.0000000), wk = 0.0026178 k( 229) = ( -0.4318121 0.3731048 -0.0000000), wk = 0.0026178 k( 230) = ( -0.4242357 0.3908767 -0.0000000), wk = 0.0026178 k( 231) = ( -0.4166592 0.4086486 -0.0000000), wk = 0.0026178 k( 232) = ( -0.4090828 0.4264205 -0.0000000), wk = 0.0026178 k( 233) = ( -0.4015064 0.4441924 -0.0000000), wk = 0.0026178 k( 234) = ( -0.3939299 0.4619642 -0.0000000), wk = 0.0026178 k( 235) = ( -0.3863535 0.4797361 -0.0000000), wk = 0.0026178 k( 236) = ( -0.3787771 0.4975080 -0.0000000), wk = 0.0026178 k( 237) = ( -0.3712006 0.5152799 -0.0000000), wk = 0.0026178 k( 238) = ( -0.3636242 0.5330518 -0.0000000), wk = 0.0026178 k( 239) = ( -0.3560478 0.5508236 -0.0000000), wk = 0.0026178 k( 240) = ( -0.3484713 0.5685955 -0.0000000), wk = 0.0026178 k( 241) = ( -0.3408949 0.5863674 -0.0000000), wk = 0.0026178 k( 242) = ( -0.3333185 0.6041393 -0.0000000), wk = 0.0026178 k( 243) = ( -0.3257420 0.6219112 -0.0000000), wk = 0.0026178 k( 244) = ( -0.3181656 0.6396831 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3105892 0.6574549 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3030127 0.6752268 -0.0000000), wk = 0.0026178 k( 247) = ( -0.2954363 0.6929987 -0.0000000), wk = 0.0026178 k( 248) = ( -0.2954363 0.6929987 -0.0000000), wk = 0.0026178 k( 249) = ( -0.2954363 0.6929987 0.0194585), wk = 0.0026178 k( 250) = ( -0.2954363 0.6929987 0.0389170), wk = 0.0026178 k( 251) = ( -0.2954363 0.6929987 0.0583755), wk = 0.0026178 k( 252) = ( -0.2954363 0.6929987 0.0778340), wk = 0.0026178 k( 253) = ( -0.2954363 0.6929987 0.0972924), wk = 0.0026178 k( 254) = ( -0.2954363 0.6929987 0.1167509), wk = 0.0026178 k( 255) = ( -0.2954363 0.6929987 0.1362094), wk = 0.0026178 k( 256) = ( -0.2954363 0.6929987 0.1556679), wk = 0.0026178 k( 257) = ( -0.2954363 0.6929987 0.1751264), wk = 0.0026178 k( 258) = ( -0.2954363 0.6929987 0.1945849), wk = 0.0026178 k( 259) = ( -0.2954363 0.6929987 0.2140434), wk = 0.0026178 k( 260) = ( -0.2954363 0.6929987 0.2335019), wk = 0.0026178 k( 261) = ( -0.2954363 0.6929987 0.2529604), wk = 0.0026178 k( 262) = ( -0.2954363 0.6929987 0.2724189), wk = 0.0026178 k( 263) = ( -0.2954363 0.6929987 0.2918774), wk = 0.0026178 k( 264) = ( -0.2954363 0.6929987 0.3113359), wk = 0.0026178 k( 265) = ( -0.2954363 0.6929987 0.3307943), wk = 0.0026178 k( 266) = ( -0.2954363 0.6929987 0.3502528), wk = 0.0026178 k( 267) = ( -0.2954363 0.6929987 0.3697113), wk = 0.0026178 k( 268) = ( -0.2954363 0.6929987 0.3891698), wk = 0.0026178 k( 269) = ( -0.2954363 0.6929987 0.4086283), wk = 0.0026178 k( 270) = ( -0.2954363 0.6929987 0.4280868), wk = 0.0026178 k( 271) = ( -0.2954363 0.6929987 0.4475453), wk = 0.0026178 k( 272) = ( -0.2954363 0.6929987 0.4670038), wk = 0.0026178 k( 273) = ( -0.2954363 0.6929987 0.4864623), wk = 0.0026178 k( 274) = ( -0.2954363 0.6929987 0.5059208), wk = 0.0026178 k( 275) = ( -0.2954363 0.6929987 0.5253793), wk = 0.0026178 k( 276) = ( -0.2954363 0.6929987 0.5448377), wk = 0.0026178 k( 277) = ( -0.2954363 0.6929987 0.5642962), wk = 0.0026178 k( 278) = ( -0.2954363 0.6929987 0.5837547), wk = 0.0026178 k( 279) = ( -0.2954363 0.6929987 0.6032132), wk = 0.0026178 k( 280) = ( -0.2954363 0.6929987 0.6226717), wk = 0.0026178 k( 281) = ( -0.2954363 0.6929987 0.6421302), wk = 0.0026178 k( 282) = ( -0.2954363 0.6929987 0.6615887), wk = 0.0026178 k( 283) = ( -0.2954363 0.6929987 0.6810472), wk = 0.0026178 k( 284) = ( -0.2954363 0.6929987 0.7005057), wk = 0.0026178 k( 285) = ( -0.2954363 0.6929987 0.7199642), wk = 0.0026178 k( 286) = ( -0.2954363 0.6929987 0.7394227), wk = 0.0026178 k( 287) = ( -0.2954363 0.6929987 0.7394227), wk = 0.0026178 k( 288) = ( -0.3030127 0.6752268 0.7394227), wk = 0.0026178 k( 289) = ( -0.3105892 0.6574549 0.7394227), wk = 0.0026178 k( 290) = ( -0.3181656 0.6396831 0.7394227), wk = 0.0026178 k( 291) = ( -0.3257420 0.6219112 0.7394227), wk = 0.0026178 k( 292) = ( -0.3333185 0.6041393 0.7394227), wk = 0.0026178 k( 293) = ( -0.3408949 0.5863674 0.7394227), wk = 0.0026178 k( 294) = ( -0.3484713 0.5685955 0.7394227), wk = 0.0026178 k( 295) = ( -0.3560478 0.5508236 0.7394227), wk = 0.0026178 k( 296) = ( -0.3636242 0.5330518 0.7394227), wk = 0.0026178 k( 297) = ( -0.3712006 0.5152799 0.7394227), wk = 0.0026178 k( 298) = ( -0.3787771 0.4975080 0.7394227), wk = 0.0026178 k( 299) = ( -0.3863535 0.4797361 0.7394227), wk = 0.0026178 k( 300) = ( -0.3939299 0.4619642 0.7394227), wk = 0.0026178 k( 301) = ( -0.4015064 0.4441924 0.7394227), wk = 0.0026178 k( 302) = ( -0.4090828 0.4264205 0.7394227), wk = 0.0026178 k( 303) = ( -0.4166592 0.4086486 0.7394227), wk = 0.0026178 k( 304) = ( -0.4242357 0.3908767 0.7394227), wk = 0.0026178 k( 305) = ( -0.4318121 0.3731048 0.7394227), wk = 0.0026178 k( 306) = ( -0.4393885 0.3553329 0.7394227), wk = 0.0026178 k( 307) = ( -0.4469650 0.3375611 0.7394227), wk = 0.0026178 k( 308) = ( -0.4545414 0.3197892 0.7394227), wk = 0.0026178 k( 309) = ( -0.4621178 0.3020173 0.7394227), wk = 0.0026178 k( 310) = ( -0.4696943 0.2842454 0.7394227), wk = 0.0026178 k( 311) = ( -0.4772707 0.2664735 0.7394227), wk = 0.0026178 k( 312) = ( -0.4848471 0.2487017 0.7394227), wk = 0.0026178 k( 313) = ( -0.4924236 0.2309298 0.7394227), wk = 0.0026178 k( 314) = ( -0.5000000 0.2131579 0.7394227), wk = 0.0026178 k( 315) = ( -0.5000000 0.2131579 0.7394227), wk = 0.0026178 k( 316) = ( -0.5000000 0.2131579 0.7199642), wk = 0.0026178 k( 317) = ( -0.5000000 0.2131579 0.7005057), wk = 0.0026178 k( 318) = ( -0.5000000 0.2131579 0.6810472), wk = 0.0026178 k( 319) = ( -0.5000000 0.2131579 0.6615887), wk = 0.0026178 k( 320) = ( -0.5000000 0.2131579 0.6421302), wk = 0.0026178 k( 321) = ( -0.5000000 0.2131579 0.6226717), wk = 0.0026178 k( 322) = ( -0.5000000 0.2131579 0.6032132), wk = 0.0026178 k( 323) = ( -0.5000000 0.2131579 0.5837547), wk = 0.0026178 k( 324) = ( -0.5000000 0.2131579 0.5642962), wk = 0.0026178 k( 325) = ( -0.5000000 0.2131579 0.5448377), wk = 0.0026178 k( 326) = ( -0.5000000 0.2131579 0.5253793), wk = 0.0026178 k( 327) = ( -0.5000000 0.2131579 0.5059208), wk = 0.0026178 k( 328) = ( -0.5000000 0.2131579 0.4864623), wk = 0.0026178 k( 329) = ( -0.5000000 0.2131579 0.4670038), wk = 0.0026178 k( 330) = ( -0.5000000 0.2131579 0.4475453), wk = 0.0026178 k( 331) = ( -0.5000000 0.2131579 0.4280868), wk = 0.0026178 k( 332) = ( -0.5000000 0.2131579 0.4086283), wk = 0.0026178 k( 333) = ( -0.5000000 0.2131579 0.3891698), wk = 0.0026178 k( 334) = ( -0.5000000 0.2131579 0.3697113), wk = 0.0026178 k( 335) = ( -0.5000000 0.2131579 0.3502528), wk = 0.0026178 k( 336) = ( -0.5000000 0.2131579 0.3307943), wk = 0.0026178 k( 337) = ( -0.5000000 0.2131579 0.3113359), wk = 0.0026178 k( 338) = ( -0.5000000 0.2131579 0.2918774), wk = 0.0026178 k( 339) = ( -0.5000000 0.2131579 0.2724189), wk = 0.0026178 k( 340) = ( -0.5000000 0.2131579 0.2529604), wk = 0.0026178 k( 341) = ( -0.5000000 0.2131579 0.2335019), wk = 0.0026178 k( 342) = ( -0.5000000 0.2131579 0.2140434), wk = 0.0026178 k( 343) = ( -0.5000000 0.2131579 0.1945849), wk = 0.0026178 k( 344) = ( -0.5000000 0.2131579 0.1751264), wk = 0.0026178 k( 345) = ( -0.5000000 0.2131579 0.1556679), wk = 0.0026178 k( 346) = ( -0.5000000 0.2131579 0.1362094), wk = 0.0026178 k( 347) = ( -0.5000000 0.2131579 0.1167509), wk = 0.0026178 k( 348) = ( -0.5000000 0.2131579 0.0972924), wk = 0.0026178 k( 349) = ( -0.5000000 0.2131579 0.0778340), wk = 0.0026178 k( 350) = ( -0.5000000 0.2131579 0.0583755), wk = 0.0026178 k( 351) = ( -0.5000000 0.2131579 0.0389170), wk = 0.0026178 k( 352) = ( -0.5000000 0.2131579 0.0194585), wk = 0.0026178 k( 353) = ( -0.5000000 0.2131579 0.0000000), wk = 0.0026178 k( 354) = ( 0.0000000 0.0000000 0.7394227), wk = 0.0026178 k( 355) = ( -0.0178571 0.0076128 0.7394227), wk = 0.0026178 k( 356) = ( -0.0357143 0.0152256 0.7394227), wk = 0.0026178 k( 357) = ( -0.0535714 0.0228383 0.7394227), wk = 0.0026178 k( 358) = ( -0.0714286 0.0304511 0.7394227), wk = 0.0026178 k( 359) = ( -0.0892857 0.0380639 0.7394227), wk = 0.0026178 k( 360) = ( -0.1071429 0.0456767 0.7394227), wk = 0.0026178 k( 361) = ( -0.1250000 0.0532895 0.7394227), wk = 0.0026178 k( 362) = ( -0.1428571 0.0609023 0.7394227), wk = 0.0026178 k( 363) = ( -0.1607143 0.0685150 0.7394227), wk = 0.0026178 k( 364) = ( -0.1785714 0.0761278 0.7394227), wk = 0.0026178 k( 365) = ( -0.1964286 0.0837406 0.7394227), wk = 0.0026178 k( 366) = ( -0.2142857 0.0913534 0.7394227), wk = 0.0026178 k( 367) = ( -0.2321429 0.0989662 0.7394227), wk = 0.0026178 k( 368) = ( -0.2500000 0.1065789 0.7394227), wk = 0.0026178 k( 369) = ( -0.2678571 0.1141917 0.7394227), wk = 0.0026178 k( 370) = ( -0.2857143 0.1218045 0.7394227), wk = 0.0026178 k( 371) = ( -0.3035714 0.1294173 0.7394227), wk = 0.0026178 k( 372) = ( -0.3214286 0.1370301 0.7394227), wk = 0.0026178 k( 373) = ( -0.3392857 0.1446429 0.7394227), wk = 0.0026178 k( 374) = ( -0.3571429 0.1522556 0.7394227), wk = 0.0026178 k( 375) = ( -0.3750000 0.1598684 0.7394227), wk = 0.0026178 k( 376) = ( -0.3928571 0.1674812 0.7394227), wk = 0.0026178 k( 377) = ( -0.4107143 0.1750940 0.7394227), wk = 0.0026178 k( 378) = ( -0.4285714 0.1827068 0.7394227), wk = 0.0026178 k( 379) = ( -0.4464286 0.1903195 0.7394227), wk = 0.0026178 k( 380) = ( -0.4642857 0.1979323 0.7394227), wk = 0.0026178 k( 381) = ( -0.4821429 0.2055451 0.7394227), wk = 0.0026178 k( 382) = ( -0.5000000 0.2131579 0.7394227), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0075753 0.0075753 0.0000000), wk = 0.0026178 k( 3) = ( 0.0151506 0.0151506 0.0000000), wk = 0.0026178 k( 4) = ( 0.0227259 0.0227259 0.0000000), wk = 0.0026178 k( 5) = ( 0.0303012 0.0303012 0.0000000), wk = 0.0026178 k( 6) = ( 0.0378764 0.0378765 0.0000000), wk = 0.0026178 k( 7) = ( 0.0454517 0.0454517 0.0000000), wk = 0.0026178 k( 8) = ( 0.0530270 0.0530270 0.0000000), wk = 0.0026178 k( 9) = ( 0.0606023 0.0606023 0.0000000), wk = 0.0026178 k( 10) = ( 0.0681776 0.0681776 0.0000000), wk = 0.0026178 k( 11) = ( 0.0757529 0.0757529 0.0000000), wk = 0.0026178 k( 12) = ( 0.0833282 0.0833282 0.0000000), wk = 0.0026178 k( 13) = ( 0.0909035 0.0909035 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0984788 0.0984788 0.0000000), wk = 0.0026178 k( 15) = ( 0.1060540 0.1060540 0.0000000), wk = 0.0026178 k( 16) = ( 0.1136293 0.1136293 0.0000000), wk = 0.0026178 k( 17) = ( 0.1212046 0.1212046 0.0000000), wk = 0.0026178 k( 18) = ( 0.1287799 0.1287799 0.0000000), wk = 0.0026178 k( 19) = ( 0.1363552 0.1363552 0.0000000), wk = 0.0026178 k( 20) = ( 0.1439305 0.1439305 0.0000000), wk = 0.0026178 k( 21) = ( 0.1515058 0.1515058 -0.0000000), wk = 0.0026178 k( 22) = ( 0.1590811 0.1590811 0.0000000), wk = 0.0026178 k( 23) = ( 0.1666564 0.1666564 0.0000000), wk = 0.0026178 k( 24) = ( 0.1742317 0.1742317 0.0000000), wk = 0.0026178 k( 25) = ( 0.1818069 0.1818070 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1893822 0.1893822 0.0000000), wk = 0.0026178 k( 27) = ( 0.1969575 0.1969575 0.0000000), wk = 0.0026178 k( 28) = ( 0.2045328 0.2045328 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2121081 0.2121081 0.0000000), wk = 0.0026178 k( 30) = ( 0.2196834 0.2196834 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2272587 0.2272587 0.0000000), wk = 0.0026178 k( 32) = ( 0.2348340 0.2348340 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2424093 0.2424093 0.0000000), wk = 0.0026178 k( 34) = ( 0.2499845 0.2499846 0.0000000), wk = 0.0026178 k( 35) = ( 0.2575598 0.2575598 0.0000000), wk = 0.0026178 k( 36) = ( 0.2651351 0.2651351 0.0000000), wk = 0.0026178 k( 37) = ( 0.2727104 0.2727104 0.0000000), wk = 0.0026178 k( 38) = ( 0.2802857 0.2802857 0.0000000), wk = 0.0026178 k( 39) = ( 0.2878610 0.2878610 0.0000000), wk = 0.0026178 k( 40) = ( 0.2954363 0.2954363 0.0000000), wk = 0.0026178 k( 41) = ( 0.2954363 0.2954363 0.0000000), wk = 0.0026178 k( 42) = ( 0.2757405 0.3090739 0.0000000), wk = 0.0026178 k( 43) = ( 0.2560448 0.3227115 -0.0000000), wk = 0.0026178 k( 44) = ( 0.2363490 0.3363490 0.0000000), wk = 0.0026178 k( 45) = ( 0.2166533 0.3499866 0.0000000), wk = 0.0026178 k( 46) = ( 0.1969575 0.3636242 0.0000000), wk = 0.0026178 k( 47) = ( 0.1772618 0.3772618 0.0000000), wk = 0.0026178 k( 48) = ( 0.1575660 0.3908994 0.0000000), wk = 0.0026178 k( 49) = ( 0.1378703 0.4045369 0.0000000), wk = 0.0026178 k( 50) = ( 0.1181745 0.4181745 0.0000000), wk = 0.0026178 k( 51) = ( 0.0984788 0.4318121 0.0000000), wk = 0.0026178 k( 52) = ( 0.0787830 0.4454497 0.0000000), wk = 0.0026178 k( 53) = ( 0.0590873 0.4590873 0.0000000), wk = 0.0026178 k( 54) = ( 0.0393915 0.4727248 -0.0000000), wk = 0.0026178 k( 55) = ( 0.0196958 0.4863624 0.0000000), wk = 0.0026178 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 58) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0026178 k( 59) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0026178 k( 60) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0026178 k( 61) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0026178 k( 62) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0026178 k( 63) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0026178 k( 64) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0026178 k( 65) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0026178 k( 66) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0026178 k( 67) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0026178 k( 68) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0026178 k( 69) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0026178 k( 70) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0026178 k( 71) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0026178 k( 72) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0026178 k( 73) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0026178 k( 74) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0026178 k( 75) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0026178 k( 76) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026178 k( 77) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0026178 k( 78) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0026178 k( 79) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0026178 k( 80) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0026178 k( 81) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0026178 k( 82) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0026178 k( 83) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0026178 k( 84) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0026178 k( 85) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0026178 k( 86) = ( 0.0000000 0.5000000 0.3815790), wk = 0.0026178 k( 87) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0026178 k( 88) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0026178 k( 89) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0026178 k( 90) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0026178 k( 91) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0026178 k( 92) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0026178 k( 93) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0026178 k( 94) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0026178 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 97) = ( 0.0196958 0.4863624 0.5000000), wk = 0.0026178 k( 98) = ( 0.0393915 0.4727248 0.5000000), wk = 0.0026178 k( 99) = ( 0.0590873 0.4590873 0.5000000), wk = 0.0026178 k( 100) = ( 0.0787830 0.4454497 0.5000000), wk = 0.0026178 k( 101) = ( 0.0984788 0.4318121 0.5000000), wk = 0.0026178 k( 102) = ( 0.1181745 0.4181745 0.5000000), wk = 0.0026178 k( 103) = ( 0.1378703 0.4045369 0.5000000), wk = 0.0026178 k( 104) = ( 0.1575660 0.3908994 0.5000000), wk = 0.0026178 k( 105) = ( 0.1772618 0.3772618 0.5000000), wk = 0.0026178 k( 106) = ( 0.1969575 0.3636242 0.5000000), wk = 0.0026178 k( 107) = ( 0.2166533 0.3499866 0.5000000), wk = 0.0026178 k( 108) = ( 0.2363490 0.3363490 0.5000000), wk = 0.0026178 k( 109) = ( 0.2560448 0.3227115 0.5000000), wk = 0.0026178 k( 110) = ( 0.2757405 0.3090739 0.5000000), wk = 0.0026178 k( 111) = ( 0.2954363 0.2954363 0.5000000), wk = 0.0026178 k( 112) = ( 0.2954363 0.2954363 0.5000000), wk = 0.0026178 k( 113) = ( 0.2878610 0.2878610 0.5000000), wk = 0.0026178 k( 114) = ( 0.2802857 0.2802857 0.5000000), wk = 0.0026178 k( 115) = ( 0.2727104 0.2727104 0.5000000), wk = 0.0026178 k( 116) = ( 0.2651351 0.2651351 0.5000000), wk = 0.0026178 k( 117) = ( 0.2575598 0.2575598 0.5000000), wk = 0.0026178 k( 118) = ( 0.2499845 0.2499846 0.5000000), wk = 0.0026178 k( 119) = ( 0.2424093 0.2424093 0.5000000), wk = 0.0026178 k( 120) = ( 0.2348340 0.2348340 0.5000000), wk = 0.0026178 k( 121) = ( 0.2272587 0.2272587 0.5000000), wk = 0.0026178 k( 122) = ( 0.2196834 0.2196834 0.5000000), wk = 0.0026178 k( 123) = ( 0.2121081 0.2121081 0.5000000), wk = 0.0026178 k( 124) = ( 0.2045328 0.2045328 0.5000000), wk = 0.0026178 k( 125) = ( 0.1969575 0.1969575 0.5000000), wk = 0.0026178 k( 126) = ( 0.1893822 0.1893822 0.5000000), wk = 0.0026178 k( 127) = ( 0.1818069 0.1818070 0.5000000), wk = 0.0026178 k( 128) = ( 0.1742317 0.1742317 0.5000000), wk = 0.0026178 k( 129) = ( 0.1666564 0.1666564 0.5000000), wk = 0.0026178 k( 130) = ( 0.1590811 0.1590811 0.5000000), wk = 0.0026178 k( 131) = ( 0.1515058 0.1515058 0.5000000), wk = 0.0026178 k( 132) = ( 0.1439305 0.1439305 0.5000000), wk = 0.0026178 k( 133) = ( 0.1363552 0.1363552 0.5000000), wk = 0.0026178 k( 134) = ( 0.1287799 0.1287799 0.5000000), wk = 0.0026178 k( 135) = ( 0.1212046 0.1212046 0.5000000), wk = 0.0026178 k( 136) = ( 0.1136293 0.1136293 0.5000000), wk = 0.0026178 k( 137) = ( 0.1060540 0.1060540 0.5000000), wk = 0.0026178 k( 138) = ( 0.0984788 0.0984788 0.5000000), wk = 0.0026178 k( 139) = ( 0.0909035 0.0909035 0.5000000), wk = 0.0026178 k( 140) = ( 0.0833282 0.0833282 0.5000000), wk = 0.0026178 k( 141) = ( 0.0757529 0.0757529 0.5000000), wk = 0.0026178 k( 142) = ( 0.0681776 0.0681776 0.5000000), wk = 0.0026178 k( 143) = ( 0.0606023 0.0606023 0.5000000), wk = 0.0026178 k( 144) = ( 0.0530270 0.0530270 0.5000000), wk = 0.0026178 k( 145) = ( 0.0454517 0.0454517 0.5000000), wk = 0.0026178 k( 146) = ( 0.0378764 0.0378765 0.5000000), wk = 0.0026178 k( 147) = ( 0.0303012 0.0303012 0.5000000), wk = 0.0026178 k( 148) = ( 0.0227259 0.0227259 0.5000000), wk = 0.0026178 k( 149) = ( 0.0151506 0.0151506 0.5000000), wk = 0.0026178 k( 150) = ( 0.0075753 0.0075753 0.5000000), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 192) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0026178 k( 193) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0026178 k( 194) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0026178 k( 195) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0026178 k( 196) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0026178 k( 197) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0026178 k( 198) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026178 k( 199) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0026178 k( 200) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0026178 k( 201) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0026178 k( 202) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0026178 k( 203) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0026178 k( 204) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0026178 k( 205) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026178 k( 206) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0026178 k( 207) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0026178 k( 208) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0026178 k( 209) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0026178 k( 210) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0026178 k( 211) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0026178 k( 212) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026178 k( 213) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0026178 k( 214) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0026178 k( 215) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0026178 k( 216) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0026178 k( 217) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0026178 k( 218) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0026178 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 221) = ( -0.4924236 0.5075764 -0.0000000), wk = 0.0026178 k( 222) = ( -0.4848471 0.5151529 0.0000000), wk = 0.0026178 k( 223) = ( -0.4772707 0.5227293 -0.0000000), wk = 0.0026178 k( 224) = ( -0.4696943 0.5303057 -0.0000000), wk = 0.0026178 k( 225) = ( -0.4621178 0.5378822 -0.0000000), wk = 0.0026178 k( 226) = ( -0.4545414 0.5454586 -0.0000000), wk = 0.0026178 k( 227) = ( -0.4469650 0.5530350 -0.0000000), wk = 0.0026178 k( 228) = ( -0.4393885 0.5606115 -0.0000000), wk = 0.0026178 k( 229) = ( -0.4318121 0.5681879 -0.0000000), wk = 0.0026178 k( 230) = ( -0.4242357 0.5757643 -0.0000000), wk = 0.0026178 k( 231) = ( -0.4166592 0.5833408 -0.0000000), wk = 0.0026178 k( 232) = ( -0.4090828 0.5909172 -0.0000000), wk = 0.0026178 k( 233) = ( -0.4015064 0.5984936 -0.0000000), wk = 0.0026178 k( 234) = ( -0.3939299 0.6060701 -0.0000000), wk = 0.0026178 k( 235) = ( -0.3863535 0.6136465 0.0000000), wk = 0.0026178 k( 236) = ( -0.3787771 0.6212229 -0.0000000), wk = 0.0026178 k( 237) = ( -0.3712006 0.6287994 0.0000000), wk = 0.0026178 k( 238) = ( -0.3636242 0.6363758 0.0000000), wk = 0.0026178 k( 239) = ( -0.3560478 0.6439522 0.0000000), wk = 0.0026178 k( 240) = ( -0.3484713 0.6515287 0.0000000), wk = 0.0026178 k( 241) = ( -0.3408949 0.6591051 0.0000000), wk = 0.0026178 k( 242) = ( -0.3333185 0.6666815 0.0000000), wk = 0.0026178 k( 243) = ( -0.3257420 0.6742580 -0.0000000), wk = 0.0026178 k( 244) = ( -0.3181656 0.6818344 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3105892 0.6894108 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3030127 0.6969873 0.0000000), wk = 0.0026178 k( 247) = ( -0.2954363 0.7045637 0.0000000), wk = 0.0026178 k( 248) = ( -0.2954363 0.7045637 0.0000000), wk = 0.0026178 k( 249) = ( -0.2954363 0.7045637 0.0131579), wk = 0.0026178 k( 250) = ( -0.2954363 0.7045637 0.0263158), wk = 0.0026178 k( 251) = ( -0.2954363 0.7045637 0.0394737), wk = 0.0026178 k( 252) = ( -0.2954363 0.7045637 0.0526316), wk = 0.0026178 k( 253) = ( -0.2954363 0.7045637 0.0657895), wk = 0.0026178 k( 254) = ( -0.2954363 0.7045637 0.0789474), wk = 0.0026178 k( 255) = ( -0.2954363 0.7045637 0.0921053), wk = 0.0026178 k( 256) = ( -0.2954363 0.7045637 0.1052632), wk = 0.0026178 k( 257) = ( -0.2954363 0.7045637 0.1184210), wk = 0.0026178 k( 258) = ( -0.2954363 0.7045637 0.1315790), wk = 0.0026178 k( 259) = ( -0.2954363 0.7045637 0.1447368), wk = 0.0026178 k( 260) = ( -0.2954363 0.7045637 0.1578947), wk = 0.0026178 k( 261) = ( -0.2954363 0.7045637 0.1710526), wk = 0.0026178 k( 262) = ( -0.2954363 0.7045637 0.1842105), wk = 0.0026178 k( 263) = ( -0.2954363 0.7045637 0.1973684), wk = 0.0026178 k( 264) = ( -0.2954363 0.7045637 0.2105263), wk = 0.0026178 k( 265) = ( -0.2954363 0.7045637 0.2236842), wk = 0.0026178 k( 266) = ( -0.2954363 0.7045637 0.2368421), wk = 0.0026178 k( 267) = ( -0.2954363 0.7045637 0.2500000), wk = 0.0026178 k( 268) = ( -0.2954363 0.7045637 0.2631579), wk = 0.0026178 k( 269) = ( -0.2954363 0.7045637 0.2763158), wk = 0.0026178 k( 270) = ( -0.2954363 0.7045637 0.2894737), wk = 0.0026178 k( 271) = ( -0.2954363 0.7045637 0.3026316), wk = 0.0026178 k( 272) = ( -0.2954363 0.7045637 0.3157895), wk = 0.0026178 k( 273) = ( -0.2954363 0.7045637 0.3289474), wk = 0.0026178 k( 274) = ( -0.2954363 0.7045637 0.3421053), wk = 0.0026178 k( 275) = ( -0.2954363 0.7045637 0.3552632), wk = 0.0026178 k( 276) = ( -0.2954363 0.7045637 0.3684211), wk = 0.0026178 k( 277) = ( -0.2954363 0.7045637 0.3815790), wk = 0.0026178 k( 278) = ( -0.2954363 0.7045637 0.3947368), wk = 0.0026178 k( 279) = ( -0.2954363 0.7045637 0.4078947), wk = 0.0026178 k( 280) = ( -0.2954363 0.7045637 0.4210526), wk = 0.0026178 k( 281) = ( -0.2954363 0.7045637 0.4342105), wk = 0.0026178 k( 282) = ( -0.2954363 0.7045637 0.4473684), wk = 0.0026178 k( 283) = ( -0.2954363 0.7045637 0.4605263), wk = 0.0026178 k( 284) = ( -0.2954363 0.7045637 0.4736842), wk = 0.0026178 k( 285) = ( -0.2954363 0.7045637 0.4868421), wk = 0.0026178 k( 286) = ( -0.2954363 0.7045637 0.5000000), wk = 0.0026178 k( 287) = ( -0.2954363 0.7045637 0.5000000), wk = 0.0026178 k( 288) = ( -0.3030127 0.6969873 0.5000000), wk = 0.0026178 k( 289) = ( -0.3105892 0.6894108 0.5000000), wk = 0.0026178 k( 290) = ( -0.3181656 0.6818344 0.5000000), wk = 0.0026178 k( 291) = ( -0.3257420 0.6742580 0.5000000), wk = 0.0026178 k( 292) = ( -0.3333185 0.6666815 0.5000000), wk = 0.0026178 k( 293) = ( -0.3408949 0.6591051 0.5000000), wk = 0.0026178 k( 294) = ( -0.3484713 0.6515287 0.5000000), wk = 0.0026178 k( 295) = ( -0.3560478 0.6439522 0.5000000), wk = 0.0026178 k( 296) = ( -0.3636242 0.6363758 0.5000000), wk = 0.0026178 k( 297) = ( -0.3712006 0.6287994 0.5000000), wk = 0.0026178 k( 298) = ( -0.3787771 0.6212229 0.5000000), wk = 0.0026178 k( 299) = ( -0.3863535 0.6136465 0.5000000), wk = 0.0026178 k( 300) = ( -0.3939299 0.6060701 0.5000000), wk = 0.0026178 k( 301) = ( -0.4015064 0.5984936 0.5000000), wk = 0.0026178 k( 302) = ( -0.4090828 0.5909172 0.5000000), wk = 0.0026178 k( 303) = ( -0.4166592 0.5833408 0.5000000), wk = 0.0026178 k( 304) = ( -0.4242357 0.5757643 0.5000000), wk = 0.0026178 k( 305) = ( -0.4318121 0.5681879 0.5000000), wk = 0.0026178 k( 306) = ( -0.4393885 0.5606115 0.5000000), wk = 0.0026178 k( 307) = ( -0.4469650 0.5530350 0.5000000), wk = 0.0026178 k( 308) = ( -0.4545414 0.5454586 0.5000000), wk = 0.0026178 k( 309) = ( -0.4621178 0.5378822 0.5000000), wk = 0.0026178 k( 310) = ( -0.4696943 0.5303057 0.5000000), wk = 0.0026178 k( 311) = ( -0.4772707 0.5227293 0.5000000), wk = 0.0026178 k( 312) = ( -0.4848471 0.5151529 0.5000000), wk = 0.0026178 k( 313) = ( -0.4924236 0.5075764 0.5000000), wk = 0.0026178 k( 314) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 315) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 316) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0026178 k( 317) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0026178 k( 318) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0026178 k( 319) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0026178 k( 320) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0026178 k( 321) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0026178 k( 322) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0026178 k( 323) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0026178 k( 324) = ( -0.5000000 0.5000000 0.3815790), wk = 0.0026178 k( 325) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0026178 k( 326) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0026178 k( 327) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0026178 k( 328) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0026178 k( 329) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0026178 k( 330) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0026178 k( 331) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0026178 k( 332) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0026178 k( 333) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0026178 k( 334) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026178 k( 335) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0026178 k( 336) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0026178 k( 337) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0026178 k( 338) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0026178 k( 339) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0026178 k( 340) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0026178 k( 341) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0026178 k( 342) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0026178 k( 343) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0026178 k( 344) = ( -0.5000000 0.5000000 0.1184210), wk = 0.0026178 k( 345) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0026178 k( 346) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0026178 k( 347) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0026178 k( 348) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0026178 k( 349) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0026178 k( 350) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0026178 k( 351) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0026178 k( 352) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0026178 k( 353) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 355) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0026178 k( 356) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0026178 k( 357) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0026178 k( 358) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0026178 k( 359) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0026178 k( 360) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0026178 k( 361) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026178 k( 362) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0026178 k( 363) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0026178 k( 364) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0026178 k( 365) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0026178 k( 366) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0026178 k( 367) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0026178 k( 368) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026178 k( 369) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0026178 k( 370) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0026178 k( 371) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0026178 k( 372) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0026178 k( 373) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0026178 k( 374) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0026178 k( 375) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026178 k( 376) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0026178 k( 377) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0026178 k( 378) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0026178 k( 379) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0026178 k( 380) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0026178 k( 381) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0026178 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 56497 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 26799 G-vectors FFT dimensions: ( 48, 48, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 146, 36) NL pseudopotentials 0.11 Mb ( 73, 96) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1179) G-vector shells 0.00 Mb ( 611) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 146, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrGe.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.0 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 46.0 secs Computing kpt #: 6 total cpu time spent up to now is 47.2 secs Computing kpt #: 7 total cpu time spent up to now is 48.6 secs Computing kpt #: 8 total cpu time spent up to now is 49.9 secs Computing kpt #: 9 total cpu time spent up to now is 51.2 secs Computing kpt #: 10 total cpu time spent up to now is 52.3 secs Computing kpt #: 11 total cpu time spent up to now is 53.5 secs Computing kpt #: 12 total cpu time spent up to now is 54.6 secs Computing kpt #: 13 total cpu time spent up to now is 55.6 secs Computing kpt #: 14 total cpu time spent up to now is 56.7 secs Computing kpt #: 15 total cpu time spent up to now is 57.7 secs Computing kpt #: 16 total cpu time spent up to now is 58.8 secs Computing kpt #: 17 total cpu time spent up to now is 60.0 secs Computing kpt #: 18 total cpu time spent up to now is 61.0 secs Computing kpt #: 19 total cpu time spent up to now is 62.1 secs Computing kpt #: 20 total cpu time spent up to now is 63.2 secs Computing kpt #: 21 total cpu time spent up to now is 64.2 secs Computing kpt #: 22 total cpu time spent up to now is 65.4 secs Computing kpt #: 23 total cpu time spent up to now is 66.7 secs Computing kpt #: 24 total cpu time spent up to now is 68.2 secs Computing kpt #: 25 total cpu time spent up to now is 69.4 secs Computing kpt #: 26 total cpu time spent up to now is 70.5 secs Computing kpt #: 27 total cpu time spent up to now is 72.0 secs Computing kpt #: 28 total cpu time spent up to now is 73.2 secs Computing kpt #: 29 total cpu time spent up to now is 74.1 secs Computing 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is 88.0 secs Computing kpt #: 46 total cpu time spent up to now is 88.9 secs Computing kpt #: 47 total cpu time spent up to now is 89.9 secs Computing kpt #: 48 total cpu time spent up to now is 91.0 secs Computing kpt #: 49 total cpu time spent up to now is 92.4 secs Computing kpt #: 50 total cpu time spent up to now is 94.1 secs Computing kpt #: 51 total cpu time spent up to now is 95.7 secs Computing kpt #: 52 total cpu time spent up to now is 97.5 secs Computing kpt #: 53 total cpu time spent up to now is 99.3 secs Computing kpt #: 54 total cpu time spent up to now is 101.0 secs Computing kpt #: 55 total cpu time spent up to now is 102.7 secs Computing kpt #: 56 total cpu time spent up to now is 104.4 secs Computing kpt #: 57 total cpu time spent up to now is 105.9 secs Computing kpt #: 58 total cpu time spent up to now is 107.8 secs Computing kpt #: 59 total cpu time spent up to now is 109.7 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.8 secs Computing kpt #: 61 total cpu time spent up to now is 113.7 secs Computing kpt #: 62 total cpu time spent up to now is 115.3 secs Computing kpt #: 63 total cpu time spent up to now is 116.7 secs Computing kpt #: 64 total cpu time spent up to now is 117.9 secs Computing kpt #: 65 total cpu time spent up to now is 119.1 secs Computing kpt #: 66 total cpu time spent up to now is 120.2 secs Computing kpt #: 67 total cpu time spent up to now is 121.3 secs Computing kpt #: 68 total cpu time spent up to now is 122.4 secs Computing kpt #: 69 total cpu time spent up to now is 123.4 secs Computing kpt #: 70 total cpu time spent up to now is 124.3 secs Computing kpt #: 71 total cpu time spent up to now is 125.2 secs Computing kpt #: 72 total cpu time spent up to now is 126.1 secs Computing kpt #: 73 total cpu time spent up to now is 127.0 secs Computing kpt #: 74 total cpu time spent up to now is 127.8 secs Computing kpt #: 75 total cpu time spent up to now is 128.8 secs Computing kpt #: 76 total cpu time spent up to now is 129.7 secs Computing kpt #: 77 total cpu time spent up to now is 130.6 secs Computing kpt #: 78 total cpu time spent up to now is 131.4 secs Computing kpt #: 79 total cpu time spent up to now is 132.3 secs Computing kpt #: 80 total cpu time spent up to now is 133.2 secs Computing kpt #: 81 total cpu time spent up to now is 134.1 secs Computing kpt #: 82 total cpu time spent up to now is 134.9 secs Computing kpt #: 83 total cpu time spent up to now is 135.9 secs Computing kpt #: 84 total cpu time spent up to now is 136.8 secs Computing kpt #: 85 total cpu time spent up to now is 137.7 secs Computing kpt #: 86 total cpu time spent up to now is 138.6 secs Computing kpt #: 87 total cpu time spent up to now is 139.5 secs Computing kpt #: 88 total cpu time spent up to now is 141.1 secs Computing kpt #: 89 total cpu time spent up to now is 142.7 secs Computing kpt #: 90 total cpu time spent up to now is 143.9 secs Computing kpt #: 91 total 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Computing kpt #: 243 total cpu time spent up to now is 285.9 secs Computing kpt #: 244 total cpu time spent up to now is 286.8 secs Computing kpt #: 245 total cpu time spent up to now is 287.7 secs Computing kpt #: 246 total cpu time spent up to now is 288.5 secs Computing kpt #: 247 total cpu time spent up to now is 289.4 secs Computing kpt #: 248 total cpu time spent up to now is 290.3 secs Computing kpt #: 249 total cpu time spent up to now is 291.1 secs Computing kpt #: 250 total cpu time spent up to now is 291.9 secs Computing kpt #: 251 total cpu time spent up to now is 292.7 secs Computing kpt #: 252 total cpu time spent up to now is 293.6 secs Computing kpt #: 253 total cpu time spent up to now is 294.5 secs Computing kpt #: 254 total cpu time spent up to now is 295.4 secs Computing kpt #: 255 total cpu time spent up to now is 296.2 secs Computing kpt #: 256 total cpu time spent up to now is 297.0 secs Computing kpt #: 257 total cpu time spent up to now is 297.9 secs Computing 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total cpu time spent up to now is 312.2 secs Computing kpt #: 274 total cpu time spent up to now is 313.0 secs Computing kpt #: 275 total cpu time spent up to now is 313.8 secs Computing kpt #: 276 total cpu time spent up to now is 314.7 secs Computing kpt #: 277 total cpu time spent up to now is 316.0 secs Computing kpt #: 278 total cpu time spent up to now is 317.0 secs Computing kpt #: 279 total cpu time spent up to now is 318.3 secs Computing kpt #: 280 total cpu time spent up to now is 319.5 secs Computing kpt #: 281 total cpu time spent up to now is 321.0 secs Computing kpt #: 282 total cpu time spent up to now is 321.8 secs Computing kpt #: 283 total cpu time spent up to now is 322.7 secs Computing kpt #: 284 total cpu time spent up to now is 323.6 secs Computing kpt #: 285 total cpu time spent up to now is 324.5 secs Computing kpt #: 286 total cpu time spent up to now is 325.5 secs Computing kpt #: 287 total cpu time spent up to now is 326.6 secs Computing kpt #: 288 total cpu 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Computing kpt #: 349 total cpu time spent up to now is 387.7 secs Computing kpt #: 350 total cpu time spent up to now is 388.7 secs Computing kpt #: 351 total cpu time spent up to now is 389.6 secs Computing kpt #: 352 total cpu time spent up to now is 390.4 secs Computing kpt #: 353 total cpu time spent up to now is 391.2 secs Computing kpt #: 354 total cpu time spent up to now is 391.9 secs Computing kpt #: 355 total cpu time spent up to now is 392.9 secs Computing kpt #: 356 total cpu time spent up to now is 393.6 secs Computing kpt #: 357 total cpu time spent up to now is 394.5 secs Computing kpt #: 358 total cpu time spent up to now is 395.2 secs Computing kpt #: 359 total cpu time spent up to now is 396.3 secs Computing kpt #: 360 total cpu time spent up to now is 397.1 secs Computing kpt #: 361 total cpu time spent up to now is 397.9 secs Computing kpt #: 362 total cpu time spent up to now is 398.6 secs Computing kpt #: 363 total cpu time spent up to now is 399.4 secs Computing kpt #: 364 total cpu time spent up to now is 400.3 secs Computing kpt #: 365 total cpu time spent up to now is 401.3 secs Computing kpt #: 366 total cpu time spent up to now is 402.2 secs Computing kpt #: 367 total cpu time spent up to now is 403.0 secs Computing kpt #: 368 total cpu time spent up to now is 403.8 secs Computing kpt #: 369 total cpu time spent up to now is 404.7 secs Computing kpt #: 370 total cpu time spent up to now is 405.6 secs Computing kpt #: 371 total cpu time spent up to now is 406.5 secs Computing kpt #: 372 total cpu time spent up to now is 407.4 secs Computing kpt #: 373 total cpu time spent up to now is 408.3 secs Computing kpt #: 374 total cpu time spent up to now is 409.2 secs Computing kpt #: 375 total cpu time spent up to now is 410.1 secs Computing kpt #: 376 total cpu time spent up to now is 411.0 secs Computing kpt #: 377 total cpu time spent up to now is 411.9 secs Computing kpt #: 378 total cpu time spent up to now is 412.7 secs Computing kpt #: 379 total cpu time spent up to now is 414.0 secs Computing kpt #: 380 total cpu time spent up to now is 415.1 secs Computing kpt #: 381 total cpu time spent up to now is 416.1 secs Computing kpt #: 382 total cpu time spent up to now is 417.0 secs ethr = 3.57E-11, avg # of iterations = 32.5 total cpu time spent up to now is 417.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3351 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0394 -11.0394 -10.8731 -10.8731 -9.9767 -9.9767 -9.8255 -9.8255 -9.7607 -9.7607 -9.6702 -9.6702 -2.6599 -2.6599 1.3976 1.3976 5.3375 5.3375 5.6046 5.6046 6.0417 6.0417 7.2635 7.2635 8.3887 8.3887 8.6191 8.6191 9.6214 9.6214 10.2244 10.2244 k = 0.0076 0.0178-0.0000 ( 3355 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0394 -11.0394 -10.8732 -10.8732 -9.9767 -9.9767 -9.8255 -9.8255 -9.7608 -9.7608 -9.6702 -9.6702 -2.6590 -2.6590 1.3984 1.3984 5.3154 5.3154 5.6250 5.6250 6.0409 6.0409 7.2636 7.2636 8.3777 8.3777 8.6226 8.6226 9.6338 9.6338 10.2211 10.2211 k = 0.0152 0.0355-0.0000 ( 3339 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0393 -11.0393 -10.8735 -10.8735 -9.9765 -9.9765 -9.8257 -9.8257 -9.7612 -9.7612 -9.6702 -9.6702 -2.6565 -2.6565 1.4008 1.4008 5.2620 5.2620 5.6730 5.6730 6.0387 6.0387 7.2638 7.2638 8.3464 8.3464 8.6331 8.6331 9.6694 9.6694 10.2116 10.2116 k = 0.0227 0.0533-0.0000 ( 3339 PWs) bands (ev): -28.1470 -28.1470 -28.1039 -28.1039 -11.0392 -11.0392 -10.8740 -10.8740 -9.9763 -9.9763 -9.8259 -9.8259 -9.7619 -9.7619 -9.6703 -9.6703 -2.6522 -2.6522 1.4049 1.4049 5.1943 5.1943 5.7317 5.7317 6.0351 6.0351 7.2637 7.2637 8.2987 8.2987 8.6506 8.6506 9.7244 9.7244 10.1967 10.1967 k = 0.0303 0.0711-0.0000 ( 3343 PWs) bands (ev): -28.1470 -28.1470 -28.1039 -28.1039 -11.0390 -11.0390 -10.8747 -10.8747 -9.9760 -9.9760 -9.8262 -9.8262 -9.7629 -9.7629 -9.6704 -9.6704 -2.6463 -2.6463 1.4105 1.4105 5.1203 5.1203 5.7930 5.7930 6.0301 6.0301 7.2626 7.2626 8.2400 8.2400 8.6751 8.6751 9.7937 9.7937 10.1777 10.1777 k = 0.0379 0.0888-0.0000 ( 3347 PWs) bands (ev): -28.1468 -28.1468 -28.1040 -28.1040 -11.0388 -11.0388 -10.8756 -10.8756 -9.9757 -9.9757 -9.8265 -9.8265 -9.7641 -9.7641 -9.6706 -9.6706 -2.6387 -2.6387 1.4177 1.4177 5.0433 5.0433 5.8533 5.8533 6.0242 6.0242 7.2593 7.2593 8.1755 8.1755 8.7066 8.7066 9.8728 9.8728 10.1562 10.1562 k = 0.0455 0.1066-0.0000 ( 3337 PWs) bands (ev): -28.1467 -28.1467 -28.1041 -28.1041 -11.0385 -11.0385 -10.8767 -10.8767 -9.9752 -9.9752 -9.8270 -9.8270 -9.7656 -9.7656 -9.6708 -9.6708 -2.6296 -2.6296 1.4263 1.4263 4.9650 4.9650 5.9101 5.9101 6.0184 6.0184 7.2524 7.2524 8.1101 8.1101 8.7451 8.7451 9.9575 9.9575 10.1334 10.1334 k = 0.0530 0.1244-0.0000 ( 3337 PWs) bands (ev): -28.1466 -28.1466 -28.1041 -28.1041 -11.0382 -11.0382 -10.8779 -10.8779 -9.9747 -9.9747 -9.8275 -9.8275 -9.7672 -9.7672 -9.6710 -9.6710 -2.6190 -2.6190 1.4364 1.4364 4.8863 4.8863 5.9578 5.9578 6.0172 6.0172 7.2399 7.2399 8.0484 8.0484 8.7904 8.7904 10.0438 10.0438 10.1109 10.1109 k = 0.0606 0.1422-0.0000 ( 3333 PWs) bands (ev): -28.1464 -28.1464 -28.1042 -28.1042 -11.0378 -11.0378 -10.8793 -10.8793 -9.9741 -9.9741 -9.8281 -9.8281 -9.7691 -9.7691 -9.6713 -9.6713 -2.6070 -2.6070 1.4478 1.4478 4.8081 4.8081 5.9770 5.9770 6.0396 6.0396 7.2196 7.2196 7.9944 7.9944 8.8423 8.8423 10.0855 10.0855 10.1328 10.1328 k = 0.0682 0.1599-0.0000 ( 3337 PWs) bands (ev): -28.1462 -28.1462 -28.1044 -28.1044 -11.0374 -11.0374 -10.8809 -10.8809 -9.9735 -9.9735 -9.8288 -9.8288 -9.7711 -9.7711 -9.6716 -9.6716 -2.5937 -2.5937 1.4605 1.4605 4.7308 4.7308 5.9720 5.9720 6.0812 6.0812 7.1897 7.1897 7.9515 7.9515 8.9007 8.9007 10.0657 10.0657 10.2090 10.2090 k = 0.0758 0.1777-0.0000 ( 3337 PWs) bands (ev): -28.1460 -28.1460 -28.1045 -28.1045 -11.0369 -11.0369 -10.8826 -10.8826 -9.9728 -9.9728 -9.8296 -9.8296 -9.7732 -9.7732 -9.6719 -9.6719 -2.5791 -2.5791 1.4743 1.4743 4.6548 4.6548 5.9610 5.9610 6.1236 6.1236 7.1488 7.1488 7.9217 7.9217 8.9653 8.9653 10.0469 10.0469 10.1576 10.1576 k = 0.0833 0.1955-0.0000 ( 3335 PWs) bands (ev): -28.1458 -28.1458 -28.1046 -28.1046 -11.0364 -11.0364 -10.8845 -10.8845 -9.9720 -9.9720 -9.8305 -9.8305 -9.7755 -9.7755 -9.6723 -9.6723 -2.5635 -2.5635 1.4891 1.4891 4.5806 4.5806 5.9479 5.9479 6.1629 6.1629 7.0974 7.0974 7.9058 7.9058 9.0356 9.0356 10.0302 10.0302 10.0812 10.0812 k = 0.0909 0.2132-0.0000 ( 3323 PWs) bands (ev): -28.1455 -28.1455 -28.1048 -28.1048 -11.0358 -11.0358 -10.8865 -10.8865 -9.9711 -9.9711 -9.8315 -9.8315 -9.7778 -9.7778 -9.6728 -9.6728 -2.5468 -2.5468 1.5049 1.5049 4.5084 4.5084 5.9334 5.9334 6.1985 6.1985 7.0367 7.0367 7.9027 7.9027 9.1114 9.1114 10.0039 10.0039 10.0196 10.0196 k = 0.0985 0.2310-0.0000 ( 3327 PWs) bands (ev): -28.1453 -28.1453 -28.1050 -28.1050 -11.0352 -11.0352 -10.8887 -10.8887 -9.9702 -9.9702 -9.8326 -9.8326 -9.7801 -9.7801 -9.6733 -9.6733 -2.5293 -2.5293 1.5215 1.5215 4.4385 4.4385 5.9181 5.9181 6.2303 6.2303 6.9689 6.9689 7.9108 7.9108 9.1921 9.1921 9.9346 9.9346 10.0070 10.0070 k = 0.1061 0.2488-0.0000 ( 3337 PWs) bands (ev): -28.1450 -28.1450 -28.1052 -28.1052 -11.0346 -11.0346 -10.8909 -10.8909 -9.9692 -9.9692 -9.8338 -9.8338 -9.7824 -9.7824 -9.6738 -9.6738 -2.5110 -2.5110 1.5386 1.5386 4.3713 4.3713 5.9020 5.9020 6.2581 6.2581 6.8964 6.8964 7.9279 7.9279 9.2771 9.2771 9.8669 9.8669 9.9993 9.9993 k = 0.1136 0.2665-0.0000 ( 3341 PWs) bands (ev): -28.1447 -28.1447 -28.1054 -28.1054 -11.0338 -11.0338 -10.8933 -10.8933 -9.9682 -9.9682 -9.8351 -9.8351 -9.7846 -9.7846 -9.6744 -9.6744 -2.4922 -2.4922 1.5563 1.5563 4.3069 4.3069 5.8855 5.8855 6.2822 6.2822 6.8212 6.8212 7.9523 7.9523 9.3659 9.3659 9.8025 9.8025 9.9950 9.9950 k = 0.1212 0.2843-0.0000 ( 3337 PWs) bands (ev): -28.1444 -28.1444 -28.1056 -28.1056 -11.0331 -11.0331 -10.8957 -10.8957 -9.9671 -9.9671 -9.8366 -9.8366 -9.7867 -9.7867 -9.6751 -9.6751 -2.4729 -2.4729 1.5742 1.5742 4.2456 4.2456 5.8686 5.8686 6.3028 6.3028 6.7450 6.7450 7.9822 7.9822 9.4576 9.4576 9.7418 9.7418 9.9940 9.9940 k = 0.1288 0.3021-0.0000 ( 3331 PWs) bands (ev): -28.1441 -28.1441 -28.1058 -28.1058 -11.0322 -11.0322 -10.8982 -10.8982 -9.9660 -9.9660 -9.8382 -9.8382 -9.7887 -9.7887 -9.6758 -9.6758 -2.4533 -2.4533 1.5922 1.5922 4.1877 4.1877 5.8516 5.8516 6.3201 6.3201 6.6692 6.6692 8.0163 8.0163 9.5499 9.5499 9.6863 9.6863 9.9963 9.9963 k = 0.1364 0.3198-0.0000 ( 3327 PWs) bands (ev): -28.1437 -28.1437 -28.1060 -28.1060 -11.0314 -11.0314 -10.9008 -10.9008 -9.9648 -9.9648 -9.8399 -9.8399 -9.7905 -9.7905 -9.6766 -9.6766 -2.4337 -2.4337 1.6100 1.6100 4.1334 4.1334 5.8345 5.8345 6.3343 6.3343 6.5950 6.5950 8.0535 8.0535 9.6105 9.6105 9.6680 9.6680 10.0019 10.0019 k = 0.1439 0.3376-0.0000 ( 3327 PWs) bands (ev): -28.1434 -28.1434 -28.1063 -28.1063 -11.0305 -11.0305 -10.9034 -10.9034 -9.9636 -9.9636 -9.8418 -9.8418 -9.7921 -9.7921 -9.6774 -9.6774 -2.4140 -2.4140 1.6276 1.6276 4.0828 4.0828 5.8176 5.8176 6.3456 6.3456 6.5233 6.5233 8.0926 8.0926 9.5714 9.5714 9.7538 9.7538 10.0106 10.0106 k = 0.1515 0.3554-0.0000 ( 3325 PWs) bands (ev): -28.1430 -28.1430 -28.1066 -28.1066 -11.0295 -11.0295 -10.9060 -10.9060 -9.9623 -9.9623 -9.8438 -9.8438 -9.7935 -9.7935 -9.6783 -9.6783 -2.3946 -2.3946 1.6445 1.6445 4.0361 4.0361 5.8008 5.8008 6.3540 6.3540 6.4552 6.4552 8.1326 8.1326 9.5251 9.5251 9.8504 9.8504 10.0226 10.0226 k = 0.1591 0.3732-0.0000 ( 3317 PWs) bands (ev): -28.1426 -28.1426 -28.1068 -28.1068 -11.0285 -11.0285 -10.9086 -10.9086 -9.9611 -9.9611 -9.8458 -9.8458 -9.7947 -9.7947 -9.6793 -9.6793 -2.3755 -2.3755 1.6607 1.6607 3.9936 3.9936 5.7845 5.7845 6.3568 6.3568 6.3942 6.3942 8.1726 8.1726 9.4813 9.4813 9.9472 9.9472 10.0375 10.0375 k = 0.1667 0.3909-0.0000 ( 3323 PWs) bands (ev): -28.1423 -28.1423 -28.1071 -28.1071 -11.0274 -11.0274 -10.9113 -10.9113 -9.9597 -9.9597 -9.8480 -9.8480 -9.7956 -9.7956 -9.6803 -9.6803 -2.3569 -2.3569 1.6759 1.6759 3.9554 3.9554 5.7687 5.7687 6.3227 6.3227 6.3725 6.3725 8.2115 8.2115 9.4407 9.4407 10.0416 10.0416 10.0558 10.0558 k = 0.1742 0.4087-0.0000 ( 3311 PWs) bands (ev): -28.1419 -28.1419 -28.1074 -28.1074 -11.0263 -11.0263 -10.9139 -10.9139 -9.9584 -9.9584 -9.8502 -9.8502 -9.7963 -9.7963 -9.6814 -9.6814 -2.3390 -2.3390 1.6898 1.6898 3.9216 3.9216 5.7535 5.7535 6.2688 6.2688 6.3736 6.3736 8.2483 8.2483 9.4035 9.4035 10.0753 10.0753 10.1322 10.1322 k = 0.1818 0.4265-0.0000 ( 3311 PWs) bands (ev): -28.1415 -28.1415 -28.1077 -28.1077 -11.0252 -11.0252 -10.9165 -10.9165 -9.9570 -9.9570 -9.8524 -9.8524 -9.7968 -9.7968 -9.6826 -9.6826 -2.3219 -2.3219 1.7022 1.7022 3.8924 3.8924 5.7390 5.7390 6.2184 6.2184 6.3751 6.3751 8.2820 8.2820 9.3697 9.3697 10.0952 10.0952 10.1164 10.1164 k = 0.1894 0.4442-0.0000 ( 3307 PWs) bands (ev): -28.1411 -28.1411 -28.1081 -28.1081 -11.0240 -11.0240 -10.9190 -10.9190 -9.9556 -9.9556 -9.8546 -9.8546 -9.7971 -9.7971 -9.6838 -9.6838 -2.3057 -2.3057 1.7130 1.7130 3.8680 3.8680 5.7254 5.7254 6.1731 6.1731 6.3758 6.3758 8.3114 8.3114 9.3394 9.3394 10.0696 10.0696 10.1243 10.1243 k = 0.1970 0.4620-0.0000 ( 3307 PWs) bands (ev): -28.1407 -28.1407 -28.1084 -28.1084 -11.0228 -11.0228 -10.9215 -10.9215 -9.9542 -9.9542 -9.8567 -9.8567 -9.7971 -9.7971 -9.6850 -9.6850 -2.2907 -2.2907 1.7217 1.7217 3.8483 3.8483 5.7128 5.7128 6.1336 6.1336 6.3756 6.3756 8.3355 8.3355 9.3125 9.3125 10.0331 10.0331 10.1273 10.1273 k = 0.2045 0.4798-0.0000 ( 3313 PWs) bands (ev): -28.1403 -28.1403 -28.1087 -28.1087 -11.0215 -11.0215 -10.9239 -10.9239 -9.9528 -9.9528 -9.8588 -9.8588 -9.7971 -9.7971 -9.6864 -9.6864 -2.2768 -2.2768 1.7284 1.7284 3.8335 3.8335 5.7012 5.7012 6.1002 6.1002 6.3748 6.3748 8.3531 8.3531 9.2891 9.2891 10.0012 10.0012 10.0656 10.0656 k = 0.2121 0.4975-0.0000 ( 3311 PWs) bands (ev): -28.1399 -28.1399 -28.1091 -28.1091 -11.0202 -11.0202 -10.9262 -10.9262 -9.9514 -9.9514 -9.8607 -9.8607 -9.7968 -9.7968 -9.6878 -9.6878 -2.2642 -2.2642 1.7328 1.7328 3.8238 3.8238 5.6908 5.6908 6.0732 6.0732 6.3735 6.3735 8.3634 8.3634 9.2692 9.2692 9.9722 9.9722 9.9951 9.9951 k = 0.2197 0.5153-0.0000 ( 3321 PWs) bands (ev): -28.1395 -28.1395 -28.1094 -28.1094 -11.0188 -11.0188 -10.9284 -10.9284 -9.9499 -9.9499 -9.8625 -9.8625 -9.7965 -9.7965 -9.6892 -9.6892 -2.2531 -2.2531 1.7347 1.7347 3.8190 3.8190 5.6815 5.6815 6.0527 6.0527 6.3719 6.3719 8.3658 8.3658 9.2528 9.2528 9.9117 9.9117 9.9606 9.9606 k = 0.2273 0.5331-0.0000 ( 3329 PWs) bands (ev): -28.1391 -28.1391 -28.1098 -28.1098 -11.0174 -11.0174 -10.9306 -10.9306 -9.9485 -9.9485 -9.8641 -9.8641 -9.7960 -9.7960 -9.6907 -9.6907 -2.2433 -2.2433 1.7341 1.7341 3.8194 3.8194 5.6736 5.6736 6.0390 6.0390 6.3701 6.3701 8.3598 8.3598 9.2399 9.2399 9.8355 9.8355 9.9478 9.9478 k = 0.2348 0.5508-0.0000 ( 3325 PWs) bands (ev): -28.1387 -28.1387 -28.1102 -28.1102 -11.0160 -11.0160 -10.9326 -10.9326 -9.9471 -9.9471 -9.8655 -9.8655 -9.7953 -9.7953 -9.6922 -9.6922 -2.2352 -2.2352 1.7309 1.7309 3.8248 3.8248 5.6671 5.6671 6.0322 6.0322 6.3683 6.3683 8.3454 8.3454 9.2304 9.2304 9.7581 9.7581 9.9426 9.9426 k = 0.2424 0.5686-0.0000 ( 3333 PWs) bands (ev): -28.1383 -28.1383 -28.1105 -28.1105 -11.0145 -11.0145 -10.9345 -10.9345 -9.9457 -9.9457 -9.8668 -9.8668 -9.7946 -9.7946 -9.6938 -9.6938 -2.2285 -2.2285 1.7250 1.7250 3.8353 3.8353 5.6619 5.6619 6.0324 6.0324 6.3666 6.3666 8.3229 8.3229 9.2243 9.2243 9.6803 9.6803 9.9440 9.9440 k = 0.2500 0.5864-0.0000 ( 3337 PWs) bands (ev): -28.1380 -28.1380 -28.1109 -28.1109 -11.0130 -11.0130 -10.9363 -10.9363 -9.9443 -9.9443 -9.8678 -9.8678 -9.7938 -9.7938 -9.6955 -9.6955 -2.2235 -2.2235 1.7165 1.7165 3.8509 3.8509 5.6581 5.6581 6.0396 6.0396 6.3651 6.3651 8.2930 8.2930 9.2216 9.2216 9.6024 9.6024 9.9514 9.9514 k = 0.2576 0.6042-0.0000 ( 3333 PWs) bands (ev): -28.1376 -28.1376 -28.1113 -28.1113 -11.0115 -11.0115 -10.9379 -10.9379 -9.9429 -9.9429 -9.8686 -9.8686 -9.7929 -9.7929 -9.6971 -9.6971 -2.2201 -2.2201 1.7053 1.7053 3.8715 3.8715 5.6557 5.6557 6.0539 6.0539 6.3640 6.3640 8.2564 8.2564 9.2224 9.2224 9.5246 9.5246 9.9638 9.9638 k = 0.2651 0.6219-0.0000 ( 3333 PWs) bands (ev): -28.1372 -28.1372 -28.1117 -28.1117 -11.0100 -11.0100 -10.9394 -10.9394 -9.9415 -9.9415 -9.8692 -9.8692 -9.7920 -9.7920 -9.6988 -9.6988 -2.2182 -2.2182 1.6916 1.6916 3.8971 3.8971 5.6548 5.6548 6.0750 6.0750 6.3635 6.3635 8.2141 8.2141 9.2264 9.2264 9.4471 9.4471 9.9804 9.9804 k = 0.2727 0.6397-0.0000 ( 3339 PWs) bands (ev): -28.1368 -28.1368 -28.1121 -28.1121 -11.0084 -11.0084 -10.9408 -10.9408 -9.9401 -9.9401 -9.8696 -9.8696 -9.7910 -9.7910 -9.7005 -9.7005 -2.2179 -2.2179 1.6755 1.6755 3.9275 3.9275 5.6552 5.6552 6.1030 6.1030 6.3635 6.3635 8.1671 8.1671 9.2335 9.2335 9.3701 9.3701 10.0003 10.0003 k = 0.2803 0.6575-0.0000 ( 3339 PWs) bands (ev): -28.1365 -28.1365 -28.1125 -28.1125 -11.0068 -11.0068 -10.9421 -10.9421 -9.9387 -9.9387 -9.8697 -9.8697 -9.7899 -9.7899 -9.7023 -9.7023 -2.2191 -2.2191 1.6571 1.6571 3.9627 3.9627 5.6571 5.6571 6.1377 6.1377 6.3643 6.3643 8.1163 8.1163 9.2419 9.2419 9.2955 9.2955 10.0228 10.0228 k = 0.2879 0.6752-0.0000 ( 3341 PWs) bands (ev): -28.1361 -28.1361 -28.1129 -28.1129 -11.0052 -11.0052 -10.9432 -10.9432 -9.9373 -9.9373 -9.8697 -9.8697 -9.7888 -9.7888 -9.7041 -9.7041 -2.2217 -2.2217 1.6366 1.6366 4.0025 4.0025 5.6603 5.6603 6.1786 6.1786 6.3660 6.3660 8.0626 8.0626 9.2104 9.2104 9.2645 9.2645 10.0471 10.0471 k = 0.2954 0.6930-0.0000 ( 3343 PWs) bands (ev): -28.1358 -28.1358 -28.1133 -28.1133 -11.0036 -11.0036 -10.9442 -10.9442 -9.9359 -9.9359 -9.8694 -9.8694 -9.7877 -9.7877 -9.7059 -9.7059 -2.2257 -2.2257 1.6142 1.6142 4.0467 4.0467 5.6648 5.6648 6.2254 6.2254 6.3690 6.3690 8.0069 8.0069 9.1366 9.1366 9.2795 9.2795 10.0727 10.0727 k = 0.2954 0.6930-0.0000 ( 3343 PWs) bands (ev): -28.1358 -28.1358 -28.1133 -28.1133 -11.0036 -11.0036 -10.9442 -10.9442 -9.9359 -9.9359 -9.8694 -9.8694 -9.7877 -9.7877 -9.7059 -9.7059 -2.2257 -2.2257 1.6142 1.6142 4.0467 4.0467 5.6648 5.6648 6.2254 6.2254 6.3690 6.3690 8.0069 8.0069 9.1366 9.1366 9.2795 9.2795 10.0727 10.0727 k = 0.2757 0.6930-0.0000 ( 3342 PWs) bands (ev): -28.1359 -28.1359 -28.1131 -28.1131 -11.0043 -11.0043 -10.9438 -10.9438 -9.9365 -9.9365 -9.8695 -9.8695 -9.7882 -9.7882 -9.7051 -9.7051 -2.2240 -2.2240 1.6233 1.6233 4.0296 4.0296 5.6629 5.6629 6.1888 6.1888 6.3831 6.3831 8.0297 8.0297 9.1676 9.1676 9.2715 9.2715 10.0663 10.0663 k = 0.2560 0.6930-0.0000 ( 3341 PWs) bands (ev): -28.1361 -28.1361 -28.1129 -28.1129 -11.0051 -11.0051 -10.9432 -10.9432 -9.9373 -9.9373 -9.8695 -9.8695 -9.7887 -9.7887 -9.7043 -9.7043 -2.2228 -2.2228 1.6321 1.6321 4.0156 4.0156 5.6613 5.6613 6.1345 6.1345 6.4127 6.4127 8.0527 8.0527 9.1988 9.1988 9.2626 9.2626 10.0692 10.0692 k = 0.2363 0.6930-0.0000 ( 3336 PWs) bands (ev): -28.1363 -28.1363 -28.1127 -28.1127 -11.0059 -11.0059 -10.9426 -10.9426 -9.9381 -9.9381 -9.8693 -9.8693 -9.7892 -9.7892 -9.7034 -9.7034 -2.2219 -2.2219 1.6403 1.6403 4.0046 4.0046 5.6598 5.6598 6.0752 6.0752 6.4452 6.4452 8.0759 8.0759 9.2241 9.2241 9.2576 9.2576 10.0832 10.0832 k = 0.2167 0.6930-0.0000 ( 3336 PWs) bands (ev): -28.1365 -28.1365 -28.1125 -28.1125 -11.0067 -11.0067 -10.9419 -10.9419 -9.9390 -9.9390 -9.8691 -9.8691 -9.7896 -9.7896 -9.7025 -9.7025 -2.2214 -2.2214 1.6479 1.6479 3.9967 3.9967 5.6585 5.6585 6.0154 6.0154 6.4767 6.4767 8.0990 8.0990 9.2263 9.2263 9.2724 9.2724 10.1097 10.1097 k = 0.1970 0.6930-0.0000 ( 3337 PWs) bands (ev): -28.1367 -28.1367 -28.1123 -28.1123 -11.0076 -11.0076 -10.9412 -10.9412 -9.9399 -9.9399 -9.8689 -9.8689 -9.7901 -9.7901 -9.7016 -9.7016 -2.2210 -2.2210 1.6548 1.6548 3.9918 3.9918 5.6572 5.6572 5.9568 5.9568 6.5057 6.5057 8.1218 8.1218 9.2149 9.2149 9.2966 9.2966 10.1495 10.1495 k = 0.1773 0.6930-0.0000 ( 3341 PWs) bands (ev): -28.1369 -28.1369 -28.1120 -28.1120 -11.0084 -11.0084 -10.9405 -10.9405 -9.9408 -9.9408 -9.8686 -9.8686 -9.7905 -9.7905 -9.7007 -9.7007 -2.2209 -2.2209 1.6610 1.6610 3.9896 3.9896 5.6557 5.6557 5.9009 5.9009 6.5318 6.5318 8.1440 8.1440 9.2009 9.2009 9.3189 9.3189 10.2027 10.2027 k = 0.1576 0.6930-0.0000 ( 3343 PWs) bands (ev): -28.1371 -28.1371 -28.1118 -28.1118 -11.0091 -11.0091 -10.9399 -10.9399 -9.9416 -9.9416 -9.8684 -9.8684 -9.7909 -9.7909 -9.6999 -9.6999 -2.2209 -2.2209 1.6664 1.6664 3.9897 3.9897 5.6537 5.6537 5.8488 5.8488 6.5546 6.5546 8.1654 8.1654 9.1864 9.1864 9.3376 9.3376 10.2688 10.2688 k = 0.1379 0.6930-0.0000 ( 3341 PWs) bands (ev): -28.1373 -28.1373 -28.1116 -28.1116 -11.0098 -11.0098 -10.9393 -10.9393 -9.9425 -9.9425 -9.8681 -9.8681 -9.7913 -9.7913 -9.6991 -9.6991 -2.2211 -2.2211 1.6710 1.6710 3.9917 3.9917 5.6506 5.6506 5.8017 5.8017 6.5742 6.5742 8.1855 8.1855 9.1721 9.1721 9.3527 9.3527 10.3466 10.3466 k = 0.1182 0.6930-0.0000 ( 3339 PWs) bands (ev): -28.1375 -28.1375 -28.1115 -28.1115 -11.0105 -11.0105 -10.9387 -10.9387 -9.9432 -9.9432 -9.8678 -9.8678 -9.7916 -9.7916 -9.6984 -9.6984 -2.2213 -2.2213 1.6749 1.6749 3.9951 3.9951 5.6456 5.6456 5.7615 5.7615 6.5907 6.5907 8.2039 8.2039 9.1586 9.1586 9.3646 9.3646 10.4341 10.4341 k = 0.0985 0.6930-0.0000 ( 3347 PWs) bands (ev): -28.1376 -28.1376 -28.1113 -28.1113 -11.0110 -11.0110 -10.9382 -10.9382 -9.9439 -9.9439 -9.8676 -9.8676 -9.7919 -9.7919 -9.6978 -9.6978 -2.2215 -2.2215 1.6781 1.6781 3.9994 3.9994 5.6372 5.6372 5.7300 5.7300 6.6043 6.6043 8.2203 8.2203 9.1465 9.1465 9.3739 9.3739 10.5290 10.5290 k = 0.0788 0.6930-0.0000 ( 3342 PWs) bands (ev): -28.1377 -28.1377 -28.1112 -28.1112 -11.0115 -11.0115 -10.9378 -10.9378 -9.9445 -9.9445 -9.8673 -9.8673 -9.7921 -9.7921 -9.6973 -9.6973 -2.2218 -2.2218 1.6806 1.6806 4.0039 4.0039 5.6246 5.6246 5.7089 5.7089 6.6150 6.6150 8.2343 8.2343 9.1360 9.1360 9.3810 9.3810 10.6266 10.6266 k = 0.0591 0.6930-0.0000 ( 3335 PWs) bands (ev): -28.1378 -28.1378 -28.1111 -28.1111 -11.0118 -11.0118 -10.9375 -10.9375 -9.9449 -9.9449 -9.8672 -9.8672 -9.7923 -9.7923 -9.6969 -9.6969 -2.2220 -2.2220 1.6825 1.6825 4.0082 4.0082 5.6096 5.6096 5.6969 5.6969 6.6231 6.6231 8.2455 8.2455 9.1275 9.1275 9.3863 9.3863 10.7034 10.7034 k = 0.0394 0.6930-0.0000 ( 3335 PWs) bands (ev): -28.1379 -28.1379 -28.1110 -28.1110 -11.0121 -11.0121 -10.9372 -10.9372 -9.9453 -9.9453 -9.8670 -9.8670 -9.7924 -9.7924 -9.6966 -9.6966 -2.2221 -2.2221 1.6838 1.6838 4.0116 4.0116 5.5962 5.5962 5.6907 5.6907 6.6288 6.6288 8.2537 8.2537 9.1213 9.1213 9.3900 9.3900 10.7262 10.7262 k = 0.0197 0.6930-0.0000 ( 3336 PWs) bands (ev): -28.1379 -28.1379 -28.1109 -28.1109 -11.0123 -11.0123 -10.9371 -10.9371 -9.9455 -9.9455 -9.8670 -9.8670 -9.7925 -9.7925 -9.6964 -9.6964 -2.2222 -2.2222 1.6846 1.6846 4.0138 4.0138 5.5871 5.5871 5.6878 5.6878 6.6322 6.6322 8.2587 8.2587 9.1175 9.1175 9.3921 9.3921 10.7335 10.7335 k = 0.0000 0.6930-0.0000 ( 3338 PWs) bands (ev): -28.1380 -28.1380 -28.1109 -28.1109 -11.0123 -11.0123 -10.9370 -10.9370 -9.9455 -9.9455 -9.8669 -9.8669 -9.7925 -9.7925 -9.6963 -9.6963 -2.2223 -2.2223 1.6849 1.6849 4.0146 4.0146 5.5839 5.5839 5.6869 5.6869 6.6333 6.6333 8.2604 8.2604 9.1162 9.1162 9.3929 9.3929 10.7356 10.7356 k = 0.0000 0.6930-0.0000 ( 3338 PWs) bands (ev): -28.1380 -28.1380 -28.1109 -28.1109 -11.0123 -11.0123 -10.9370 -10.9370 -9.9455 -9.9455 -9.8669 -9.8669 -9.7925 -9.7925 -9.6963 -9.6963 -2.2223 -2.2223 1.6849 1.6849 4.0146 4.0146 5.5839 5.5839 5.6869 5.6869 6.6333 6.6333 8.2604 8.2604 9.1162 9.1162 9.3929 9.3929 10.7356 10.7356 k = 0.0000 0.6930 0.0195 ( 3332 PWs) bands (ev): -28.1379 -28.1379 -28.1109 -28.1109 -11.0123 -11.0123 -10.9371 -10.9371 -9.9456 -9.9456 -9.8669 -9.8669 -9.7927 -9.7927 -9.6965 -9.6965 -2.2212 -2.2212 1.6829 1.6829 4.0160 4.0160 5.5837 5.5837 5.6824 5.6824 6.6326 6.6326 8.2702 8.2702 9.1097 9.1097 9.3919 9.3919 10.7354 10.7354 k = 0.0000 0.6930 0.0389 ( 3332 PWs) bands (ev): -28.1379 -28.1379 -28.1109 -28.1109 -11.0123 -11.0123 -10.9373 -10.9373 -9.9457 -9.9457 -9.8667 -9.8667 -9.7931 -9.7931 -9.6969 -9.6969 -2.2178 -2.2178 1.6768 1.6768 4.0202 4.0202 5.5820 5.5820 5.6703 5.6703 6.6306 6.6306 8.2994 8.2994 9.0905 9.0905 9.3890 9.3890 10.7344 10.7344 k = 0.0000 0.6930 0.0584 ( 3332 PWs) bands (ev): -28.1378 -28.1378 -28.1109 -28.1109 -11.0123 -11.0123 -10.9376 -10.9376 -9.9459 -9.9459 -9.8665 -9.8665 -9.7938 -9.7938 -9.6976 -9.6976 -2.2123 -2.2123 1.6667 1.6667 4.0272 4.0272 5.5745 5.5745 5.6559 5.6559 6.6272 6.6272 8.3468 8.3468 9.0595 9.0595 9.3841 9.3841 10.7306 10.7306 k = 0.0000 0.6930 0.0778 ( 3336 PWs) bands (ev): -28.1376 -28.1376 -28.1109 -28.1109 -11.0124 -11.0124 -10.9381 -10.9381 -9.9462 -9.9462 -9.8662 -9.8662 -9.7948 -9.7948 -9.6986 -9.6986 -2.2045 -2.2045 1.6524 1.6524 4.0370 4.0370 5.5541 5.5541 5.6478 5.6478 6.6225 6.6225 8.4103 8.4103 9.0180 9.0180 9.3773 9.3773 10.7198 10.7198 k = 0.0000 0.6930 0.0973 ( 3342 PWs) bands (ev): -28.1374 -28.1374 -28.1109 -28.1109 -11.0124 -11.0124 -10.9386 -10.9386 -9.9466 -9.9466 -9.8657 -9.8657 -9.7961 -9.7961 -9.6998 -9.6998 -2.1946 -2.1946 1.6340 1.6340 4.0495 4.0495 5.5191 5.5191 5.6496 5.6496 6.6166 6.6166 8.4877 8.4877 8.9674 8.9674 9.3686 9.3686 10.7011 10.7011 k = 0.0000 0.6930 0.1168 ( 3344 PWs) bands (ev): -28.1371 -28.1371 -28.1109 -28.1109 -11.0125 -11.0125 -10.9393 -10.9393 -9.9470 -9.9470 -9.8652 -9.8652 -9.7976 -9.7976 -9.7013 -9.7013 -2.1824 -2.1824 1.6114 1.6114 4.0647 4.0647 5.4744 5.4744 5.6581 5.6581 6.6094 6.6094 8.5764 8.5764 8.9097 8.9097 9.3579 9.3579 10.6791 10.6791 k = 0.0000 0.6930 0.1362 ( 3342 PWs) bands (ev): -28.1369 -28.1369 -28.1109 -28.1109 -11.0125 -11.0125 -10.9402 -10.9402 -9.9475 -9.9475 -9.8647 -9.8647 -9.7993 -9.7993 -9.7030 -9.7030 -2.1680 -2.1680 1.5844 1.5844 4.0825 4.0825 5.4244 5.4244 5.6706 5.6706 6.6012 6.6012 8.6725 8.6725 8.8473 8.8473 9.3455 9.3455 10.6565 10.6565 k = 0.0000 0.6930 0.1557 ( 3340 PWs) bands (ev): -28.1365 -28.1365 -28.1109 -28.1109 -11.0126 -11.0126 -10.9411 -10.9411 -9.9481 -9.9481 -9.8640 -9.8640 -9.8013 -9.8013 -9.7049 -9.7049 -2.1514 -2.1514 1.5532 1.5532 4.1028 4.1028 5.3721 5.3721 5.6856 5.6856 6.5920 6.5920 8.7510 8.7510 8.8041 8.8041 9.3320 9.3320 10.6344 10.6344 k = 0.0000 0.6930 0.1751 ( 3340 PWs) bands (ev): -28.1362 -28.1362 -28.1110 -28.1110 -11.0126 -11.0126 -10.9422 -10.9422 -9.9487 -9.9487 -9.8633 -9.8633 -9.8035 -9.8035 -9.7070 -9.7070 -2.1326 -2.1326 1.5175 1.5175 4.1255 4.1255 5.3195 5.3195 5.7023 5.7023 6.5819 6.5819 8.6987 8.6987 8.8906 8.8906 9.3188 9.3188 10.6134 10.6134 k = 0.0000 0.6930 0.1946 ( 3338 PWs) bands (ev): -28.1357 -28.1357 -28.1110 -28.1110 -11.0127 -11.0127 -10.9434 -10.9434 -9.9493 -9.9493 -9.8626 -9.8626 -9.8059 -9.8059 -9.7093 -9.7093 -2.1115 -2.1115 1.4775 1.4775 4.1505 4.1505 5.2682 5.2682 5.7200 5.7200 6.5711 6.5711 8.6263 8.6263 8.9913 8.9913 9.3098 9.3098 10.5941 10.5941 k = 0.0000 0.6930 0.2140 ( 3338 PWs) bands (ev): -28.1353 -28.1353 -28.1110 -28.1110 -11.0128 -11.0128 -10.9447 -10.9447 -9.9499 -9.9499 -9.8619 -9.8619 -9.8085 -9.8085 -9.7118 -9.7118 -2.0883 -2.0883 1.4331 1.4331 4.1776 4.1776 5.2196 5.2196 5.7380 5.7380 6.5601 6.5601 8.5516 8.5516 9.0763 9.0763 9.3163 9.3163 10.5768 10.5768 k = 0.0000 0.6930 0.2335 ( 3342 PWs) bands (ev): -28.1348 -28.1348 -28.1110 -28.1110 -11.0128 -11.0128 -10.9461 -10.9461 -9.9506 -9.9506 -9.8612 -9.8612 -9.8111 -9.8111 -9.7144 -9.7144 -2.0628 -2.0628 1.3844 1.3844 4.2066 4.2066 5.1747 5.1747 5.7557 5.7557 6.5490 6.5490 8.4762 8.4762 9.1218 9.1218 9.3594 9.3594 10.5619 10.5619 k = 0.0000 0.6930 0.2530 ( 3342 PWs) bands (ev): -28.1343 -28.1343 -28.1111 -28.1111 -11.0129 -11.0129 -10.9476 -10.9476 -9.9513 -9.9513 -9.8605 -9.8605 -9.8138 -9.8138 -9.7171 -9.7171 -2.0352 -2.0352 1.3315 1.3315 4.2373 4.2373 5.1344 5.1344 5.7722 5.7722 6.5384 6.5384 8.4012 8.4012 9.1244 9.1244 9.4409 9.4409 10.5496 10.5496 k = 0.0000 0.6930 0.2724 ( 3340 PWs) bands (ev): -28.1338 -28.1338 -28.1111 -28.1111 -11.0129 -11.0129 -10.9493 -10.9493 -9.9519 -9.9519 -9.8600 -9.8600 -9.8165 -9.8165 -9.7200 -9.7200 -2.0053 -2.0053 1.2744 1.2744 4.2693 4.2693 5.0995 5.0995 5.7866 5.7866 6.5288 6.5288 8.3270 8.3270 9.1047 9.1047 9.5389 9.5389 10.5404 10.5404 k = 0.0000 0.6930 0.2919 ( 3340 PWs) bands (ev): -28.1332 -28.1332 -28.1112 -28.1112 -11.0130 -11.0130 -10.9510 -10.9510 -9.9526 -9.9526 -9.8597 -9.8597 -9.8191 -9.8191 -9.7229 -9.7229 -1.9733 -1.9733 1.2135 1.2135 4.3023 4.3023 5.0707 5.0707 5.7980 5.7980 6.5207 6.5207 8.2542 8.2542 9.0747 9.0747 9.6403 9.6403 10.5345 10.5345 k = 0.0000 0.6930 0.3113 ( 3338 PWs) bands (ev): -28.1326 -28.1326 -28.1112 -28.1112 -11.0130 -11.0130 -10.9529 -10.9529 -9.9532 -9.9532 -9.8597 -9.8597 -9.8215 -9.8215 -9.7259 -9.7259 -1.9390 -1.9390 1.1488 1.1488 4.3359 4.3359 5.0485 5.0485 5.8056 5.8056 6.5148 6.5148 8.1834 8.1834 9.0390 9.0390 9.7400 9.7400 10.5322 10.5322 k = 0.0000 0.6930 0.3308 ( 3340 PWs) bands (ev): -28.1320 -28.1320 -28.1113 -28.1113 -11.0131 -11.0131 -10.9548 -10.9548 -9.9537 -9.9537 -9.8600 -9.8600 -9.8236 -9.8236 -9.7290 -9.7290 -1.9026 -1.9026 1.0806 1.0806 4.3697 4.3697 5.0335 5.0335 5.8083 5.8083 6.5114 6.5114 8.1150 8.1150 8.9994 8.9994 9.8357 9.8357 10.5339 10.5339 k = 0.0000 0.6930 0.3503 ( 3342 PWs) bands (ev): -28.1313 -28.1313 -28.1114 -28.1114 -11.0131 -11.0131 -10.9568 -10.9568 -9.9542 -9.9542 -9.8609 -9.8609 -9.8252 -9.8252 -9.7321 -9.7321 -1.8639 -1.8639 1.0092 1.0092 4.4031 4.4031 5.0260 5.0260 5.8057 5.8057 6.5109 6.5109 8.0494 8.0494 8.9569 8.9569 9.9263 9.9263 10.5396 10.5396 k = 0.0000 0.6930 0.3697 ( 3344 PWs) bands (ev): -28.1307 -28.1307 -28.1115 -28.1115 -11.0130 -11.0130 -10.9589 -10.9589 -9.9545 -9.9545 -9.8624 -9.8624 -9.8262 -9.8262 -9.7352 -9.7352 -1.8231 -1.8231 0.9349 0.9349 4.4357 4.4357 5.0265 5.0265 5.7971 5.7971 6.5132 6.5132 7.9870 7.9870 8.9122 8.9122 10.0113 10.0113 10.5496 10.5496 k = 0.0000 0.6930 0.3892 ( 3350 PWs) bands (ev): -28.1300 -28.1300 -28.1116 -28.1116 -11.0130 -11.0130 -10.9611 -10.9611 -9.9548 -9.9548 -9.8645 -9.8645 -9.8267 -9.8267 -9.7383 -9.7383 -1.7801 -1.7801 0.8579 0.8579 4.4671 4.4671 5.0350 5.0350 5.7827 5.7827 6.5177 6.5177 7.9285 7.9285 8.8656 8.8656 10.0909 10.0909 10.5639 10.5639 k = 0.0000 0.6930 0.4086 ( 3348 PWs) bands (ev): -28.1293 -28.1293 -28.1118 -28.1118 -11.0129 -11.0129 -10.9633 -10.9633 -9.9550 -9.9550 -9.8671 -9.8671 -9.8266 -9.8266 -9.7415 -9.7415 -1.7350 -1.7350 0.7787 0.7787 4.4972 4.4972 5.0516 5.0516 5.7625 5.7625 6.5237 6.5237 7.8743 7.8743 8.8176 8.8176 10.1652 10.1652 10.5827 10.5827 k = 0.0000 0.6930 0.4281 ( 3346 PWs) bands (ev): -28.1286 -28.1286 -28.1120 -28.1120 -11.0128 -11.0128 -10.9656 -10.9656 -9.9550 -9.9550 -9.8702 -9.8702 -9.8260 -9.8260 -9.7446 -9.7446 -1.6877 -1.6877 0.6974 0.6974 4.5260 4.5260 5.0759 5.0759 5.7370 5.7370 6.5301 6.5301 7.8251 7.8251 8.7683 8.7683 10.2344 10.2344 10.6059 10.6059 k = 0.0000 0.6930 0.4475 ( 3346 PWs) bands (ev): -28.1279 -28.1279 -28.1121 -28.1121 -11.0126 -11.0126 -10.9679 -10.9679 -9.9549 -9.9549 -9.8737 -9.8737 -9.8251 -9.8251 -9.7477 -9.7477 -1.6383 -1.6383 0.6145 0.6145 4.5535 4.5535 5.1076 5.1076 5.7068 5.7068 6.5354 6.5354 7.7817 7.7817 8.7181 8.7181 10.2992 10.2992 10.6336 10.6336 k = 0.0000 0.6930 0.4670 ( 3352 PWs) bands (ev): -28.1271 -28.1271 -28.1123 -28.1123 -11.0124 -11.0124 -10.9703 -10.9703 -9.9546 -9.9546 -9.8774 -9.8774 -9.8238 -9.8238 -9.7509 -9.7509 -1.5867 -1.5867 0.5301 0.5301 4.5803 4.5803 5.1458 5.1458 5.6726 5.6726 6.5383 6.5383 7.7447 7.7447 8.6672 8.6672 10.3599 10.3599 10.6655 10.6655 k = 0.0000 0.6930 0.4865 ( 3348 PWs) bands (ev): -28.1264 -28.1264 -28.1126 -28.1126 -11.0121 -11.0121 -10.9726 -10.9726 -9.9542 -9.9542 -9.8814 -9.8814 -9.8222 -9.8222 -9.7540 -9.7540 -1.5330 -1.5330 0.4447 0.4447 4.6068 4.6068 5.1898 5.1898 5.6349 5.6349 6.5373 6.5373 7.7150 7.7150 8.6157 8.6157 10.4169 10.4169 10.7015 10.7015 k = 0.0000 0.6930 0.5059 ( 3356 PWs) bands (ev): -28.1257 -28.1257 -28.1128 -28.1128 -11.0117 -11.0117 -10.9750 -10.9750 -9.9536 -9.9536 -9.8855 -9.8855 -9.8205 -9.8205 -9.7570 -9.7570 -1.4773 -1.4773 0.3586 0.3586 4.6333 4.6333 5.2388 5.2388 5.5946 5.5946 6.5311 6.5311 7.6931 7.6931 8.5638 8.5638 10.4707 10.4707 10.7413 10.7413 k = 0.0000 0.6930 0.5254 ( 3360 PWs) bands (ev): -28.1250 -28.1250 -28.1131 -28.1131 -11.0113 -11.0113 -10.9774 -10.9774 -9.9529 -9.9529 -9.8897 -9.8897 -9.8185 -9.8185 -9.7601 -9.7601 -1.4195 -1.4195 0.2718 0.2718 4.6604 4.6604 5.2919 5.2919 5.5522 5.5522 6.5187 6.5187 7.6795 7.6795 8.5117 8.5117 10.5217 10.5217 10.7845 10.7845 k = 0.0000 0.6930 0.5448 ( 3360 PWs) bands (ev): -28.1243 -28.1243 -28.1134 -28.1134 -11.0107 -11.0107 -10.9797 -10.9797 -9.9519 -9.9519 -9.8938 -9.8938 -9.8165 -9.8165 -9.7631 -9.7631 -1.3596 -1.3596 0.1848 0.1848 4.6883 4.6883 5.3480 5.3480 5.5087 5.5087 6.4996 6.4996 7.6744 7.6744 8.4595 8.4595 10.5703 10.5703 10.8306 10.8306 k = 0.0000 0.6930 0.5643 ( 3358 PWs) bands (ev): -28.1235 -28.1235 -28.1137 -28.1137 -11.0101 -11.0101 -10.9820 -10.9820 -9.9508 -9.9508 -9.8980 -9.8980 -9.8143 -9.8143 -9.7661 -9.7661 -1.2977 -1.2977 0.0978 0.0978 4.7173 4.7173 5.4037 5.4037 5.4672 5.4672 6.4735 6.4735 7.6775 7.6775 8.4073 8.4073 10.6169 10.6169 10.8790 10.8790 k = 0.0000 0.6930 0.5838 ( 3356 PWs) bands (ev): -28.1228 -28.1228 -28.1140 -28.1140 -11.0094 -11.0094 -10.9843 -10.9843 -9.9494 -9.9494 -9.9022 -9.9022 -9.8120 -9.8120 -9.7691 -9.7691 -1.2338 -1.2338 0.0109 0.0109 4.7477 4.7477 5.4081 5.4081 5.4786 5.4786 6.4405 6.4405 7.6884 7.6884 8.3553 8.3553 10.6618 10.6618 10.9287 10.9287 k = 0.0000 0.6930 0.6032 ( 3356 PWs) bands (ev): -28.1221 -28.1221 -28.1144 -28.1144 -11.0086 -11.0086 -10.9866 -10.9866 -9.9479 -9.9479 -9.9062 -9.9062 -9.8097 -9.8097 -9.7720 -9.7720 -1.1680 -1.1680 -0.0755 -0.0755 4.7796 4.7796 5.3647 5.3647 5.5392 5.5392 6.4012 6.4012 7.7062 7.7062 8.3034 8.3034 10.7053 10.7053 10.9786 10.9786 k = 0.0000 0.6930 0.6227 ( 3354 PWs) bands (ev): -28.1215 -28.1215 -28.1148 -28.1148 -11.0077 -11.0077 -10.9887 -10.9887 -9.9461 -9.9461 -9.9102 -9.9102 -9.8073 -9.8073 -9.7749 -9.7749 -1.1003 -1.1003 -0.1615 -0.1615 4.8130 4.8130 5.3183 5.3183 5.6041 5.6041 6.3561 6.3561 7.7301 7.7301 8.2520 8.2520 10.7478 10.7478 11.0266 11.0266 k = 0.0000 0.6930 0.6421 ( 3354 PWs) bands (ev): -28.1208 -28.1208 -28.1152 -28.1152 -11.0067 -11.0067 -10.9908 -10.9908 -9.9442 -9.9442 -9.9141 -9.9141 -9.8048 -9.8048 -9.7778 -9.7778 -1.0307 -1.0307 -0.2467 -0.2467 4.8480 4.8480 5.2715 5.2715 5.6704 5.6704 6.3061 6.3061 7.7593 7.7593 8.2009 8.2009 10.7895 10.7895 11.0687 11.0687 k = 0.0000 0.6930 0.6616 ( 3364 PWs) bands (ev): -28.1201 -28.1201 -28.1157 -28.1157 -11.0056 -11.0056 -10.9929 -10.9929 -9.9420 -9.9420 -9.9179 -9.9179 -9.8023 -9.8023 -9.7807 -9.7807 -0.9593 -0.9593 -0.3310 -0.3310 4.8845 4.8845 5.2249 5.2249 5.7376 5.7376 6.2518 6.2518 7.7929 7.7929 8.1505 8.1505 10.8307 10.8307 11.0955 11.0955 k = 0.0000 0.6930 0.6810 ( 3356 PWs) bands (ev): -28.1195 -28.1195 -28.1162 -28.1162 -11.0044 -11.0044 -10.9948 -10.9948 -9.9397 -9.9397 -9.9215 -9.9215 -9.7997 -9.7997 -9.7835 -9.7835 -0.8862 -0.8862 -0.4143 -0.4143 4.9226 4.9226 5.1788 5.1788 5.8051 5.8051 6.1940 6.1940 7.8301 7.8301 8.1008 8.1008 10.8716 10.8716 11.0934 11.0934 k = 0.0000 0.6930 0.7005 ( 3354 PWs) bands (ev): -28.1189 -28.1189 -28.1167 -28.1167 -11.0031 -11.0031 -10.9967 -10.9967 -9.9371 -9.9371 -9.9250 -9.9250 -9.7971 -9.7971 -9.7863 -9.7863 -0.8113 -0.8113 -0.4964 -0.4964 4.9621 4.9621 5.1334 5.1334 5.8725 5.8725 6.1334 6.1334 7.8704 7.8704 8.0520 8.0520 10.9122 10.9122 11.0673 11.0673 k = 0.0000 0.6930 0.7200 ( 3356 PWs) bands (ev): -28.1183 -28.1183 -28.1172 -28.1172 -11.0016 -11.0016 -10.9984 -10.9984 -9.9343 -9.9343 -9.9283 -9.9283 -9.7945 -9.7945 -9.7890 -9.7890 -0.7348 -0.7348 -0.5773 -0.5773 5.0031 5.0031 5.0889 5.0889 5.9395 5.9395 6.0704 6.0704 7.9131 7.9131 8.0043 8.0043 10.9527 10.9527 11.0316 11.0316 k = 0.0000 0.6930 0.7394 ( 3344 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0001 -11.0001 -11.0001 -11.0001 -9.9314 -9.9314 -9.9314 -9.9314 -9.7918 -9.7918 -9.7918 -9.7918 -0.6568 -0.6568 -0.6568 -0.6568 5.0454 5.0454 5.0454 5.0454 6.0056 6.0056 6.0056 6.0056 7.9579 7.9579 7.9579 7.9579 10.9927 10.9927 10.9927 10.9927 k = 0.0000 0.6930 0.7394 ( 3344 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0001 -11.0001 -11.0001 -11.0001 -9.9314 -9.9314 -9.9314 -9.9314 -9.7918 -9.7918 -9.7918 -9.7918 -0.6568 -0.6568 -0.6568 -0.6568 5.0454 5.0454 5.0454 5.0454 6.0056 6.0056 6.0056 6.0056 7.9579 7.9579 7.9579 7.9579 10.9927 10.9927 10.9927 10.9927 k = 0.0197 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0002 -11.0002 -11.0000 -11.0000 -9.9347 -9.9347 -9.9280 -9.9280 -9.7951 -9.7951 -9.7885 -9.7885 -0.6572 -0.6572 -0.6561 -0.6561 5.0417 5.0417 5.0463 5.0463 6.0053 6.0053 6.0065 6.0065 7.9594 7.9594 7.9618 7.9618 10.9894 10.9894 10.9926 10.9926 k = 0.0394 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0004 -11.0004 -10.9998 -10.9998 -9.9380 -9.9380 -9.9247 -9.9247 -9.7983 -9.7983 -9.7852 -9.7852 -0.6572 -0.6572 -0.6550 -0.6550 5.0353 5.0353 5.0443 5.0443 6.0056 6.0056 6.0079 6.0079 7.9661 7.9661 7.9709 7.9709 10.9819 10.9819 10.9885 10.9885 k = 0.0591 0.6930 0.7394 ( 3352 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0006 -11.0006 -10.9998 -10.9998 -9.9411 -9.9411 -9.9213 -9.9213 -9.8015 -9.8015 -9.7820 -9.7820 -0.6569 -0.6569 -0.6536 -0.6536 5.0264 5.0264 5.0397 5.0397 6.0065 6.0065 6.0099 6.0099 7.9780 7.9780 7.9850 7.9850 10.9682 10.9682 10.9788 10.9788 k = 0.0788 0.6930 0.7394 ( 3348 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0008 -11.0008 -10.9997 -10.9997 -9.9442 -9.9442 -9.9181 -9.9181 -9.8046 -9.8046 -9.7789 -9.7789 -0.6562 -0.6562 -0.6519 -0.6519 5.0151 5.0151 5.0324 5.0324 6.0081 6.0081 6.0125 6.0125 7.9946 7.9946 8.0037 8.0037 10.9455 10.9455 10.9605 10.9605 k = 0.0985 0.6930 0.7394 ( 3348 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0010 -11.0010 -10.9997 -10.9997 -9.9470 -9.9470 -9.9150 -9.9150 -9.8075 -9.8075 -9.7759 -9.7759 -0.6552 -0.6552 -0.6499 -0.6499 5.0019 5.0019 5.0229 5.0229 6.0103 6.0103 6.0155 6.0155 8.0154 8.0154 8.0265 8.0265 10.9109 10.9109 10.9304 10.9304 k = 0.1182 0.6930 0.7394 ( 3356 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0013 -11.0013 -10.9997 -10.9997 -9.9497 -9.9497 -9.9120 -9.9120 -9.8103 -9.8103 -9.7730 -9.7730 -0.6540 -0.6540 -0.6477 -0.6477 4.9869 4.9869 5.0113 5.0113 6.0131 6.0131 6.0190 6.0190 8.0397 8.0397 8.0526 8.0526 10.8639 10.8639 10.8873 10.8873 k = 0.1379 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0015 -11.0015 -10.9997 -10.9997 -9.9522 -9.9522 -9.9094 -9.9094 -9.8127 -9.8127 -9.7704 -9.7704 -0.6524 -0.6524 -0.6453 -0.6453 4.9706 4.9706 4.9980 4.9980 6.0165 6.0165 6.0230 6.0230 8.0669 8.0669 8.0813 8.0813 10.8067 10.8067 10.8330 10.8330 k = 0.1576 0.6930 0.7394 ( 3356 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0017 -11.0017 -10.9998 -10.9998 -9.9545 -9.9545 -9.9070 -9.9070 -9.8148 -9.8148 -9.7679 -9.7679 -0.6507 -0.6507 -0.6427 -0.6427 4.9534 4.9534 4.9834 4.9834 6.0205 6.0205 6.0275 6.0275 8.0959 8.0959 8.1116 8.1116 10.7434 10.7434 10.7714 10.7714 k = 0.1773 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0019 -11.0019 -10.9998 -10.9998 -9.9566 -9.9566 -9.9050 -9.9050 -9.8166 -9.8166 -9.7655 -9.7655 -0.6488 -0.6488 -0.6400 -0.6400 4.9357 4.9357 4.9678 4.9678 6.0250 6.0250 6.0323 6.0323 8.1258 8.1258 8.1426 8.1426 10.6777 10.6777 10.7067 10.7067 k = 0.1970 0.6930 0.7394 ( 3356 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0021 -11.0021 -10.9999 -10.9999 -9.9584 -9.9584 -9.9034 -9.9034 -9.8179 -9.8179 -9.7634 -9.7634 -0.6468 -0.6468 -0.6373 -0.6373 4.9178 4.9178 4.9516 4.9516 6.0300 6.0300 6.0376 6.0376 8.1555 8.1555 8.1732 8.1732 10.6128 10.6128 10.6422 10.6422 k = 0.2167 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0023 -11.0023 -11.0000 -11.0000 -9.9599 -9.9599 -9.9022 -9.9022 -9.8188 -9.8188 -9.7616 -9.7616 -0.6447 -0.6447 -0.6346 -0.6346 4.9002 4.9002 4.9353 4.9353 6.0355 6.0355 6.0431 6.0431 8.1840 8.1840 8.2022 8.2022 10.5512 10.5512 10.5807 10.5807 k = 0.2363 0.6930 0.7394 ( 3354 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0024 -11.0024 -11.0001 -11.0001 -9.9612 -9.9612 -9.9015 -9.9015 -9.8192 -9.8192 -9.7600 -9.7600 -0.6426 -0.6426 -0.6320 -0.6320 4.8831 4.8831 4.9192 4.9192 6.0414 6.0414 6.0490 6.0490 8.2099 8.2099 8.2284 8.2284 10.4951 10.4951 10.5244 10.5244 k = 0.2560 0.6930 0.7394 ( 3358 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0025 -11.0025 -11.0002 -11.0002 -9.9622 -9.9622 -9.9013 -9.9013 -9.8191 -9.8191 -9.7586 -9.7586 -0.6405 -0.6405 -0.6295 -0.6295 4.8670 4.8670 4.9037 4.9037 6.0475 6.0475 6.0551 6.0551 8.2323 8.2323 8.2509 8.2509 10.4460 10.4460 10.4749 10.4749 k = 0.2757 0.6930 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0026 -11.0026 -11.0004 -11.0004 -9.9629 -9.9629 -9.9015 -9.9015 -9.8186 -9.8186 -9.7575 -9.7575 -0.6385 -0.6385 -0.6272 -0.6272 4.8522 4.8522 4.8891 4.8891 6.0539 6.0539 6.0614 6.0614 8.2501 8.2501 8.2685 8.2685 10.4054 10.4054 10.4337 10.4337 k = 0.2954 0.6930 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0027 -11.0027 -11.0005 -11.0005 -9.9634 -9.9634 -9.9022 -9.9022 -9.8178 -9.8178 -9.7567 -9.7567 -0.6367 -0.6367 -0.6251 -0.6251 4.8389 4.8389 4.8756 4.8756 6.0605 6.0605 6.0679 6.0679 8.2625 8.2625 8.2804 8.2804 10.3742 10.3742 10.4018 10.4018 k = 0.2954 0.6930 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0027 -11.0027 -11.0005 -11.0005 -9.9634 -9.9634 -9.9022 -9.9022 -9.8178 -9.8178 -9.7567 -9.7567 -0.6367 -0.6367 -0.6251 -0.6251 4.8389 4.8389 4.8756 4.8756 6.0605 6.0605 6.0679 6.0679 8.2625 8.2625 8.2804 8.2804 10.3742 10.3742 10.4018 10.4018 k = 0.2879 0.6752 0.7394 ( 3352 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0026 -11.0026 -11.0002 -11.0002 -9.9626 -9.9626 -9.9001 -9.9001 -9.8204 -9.8204 -9.7584 -9.7584 -0.6410 -0.6410 -0.6299 -0.6299 4.8699 4.8699 4.9074 4.9074 6.0442 6.0442 6.0519 6.0519 8.2400 8.2400 8.2594 8.2594 10.4335 10.4335 10.4631 10.4631 k = 0.2803 0.6575 0.7394 ( 3352 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0025 -11.0025 -10.9998 -10.9998 -9.9617 -9.9617 -9.8981 -9.8981 -9.8229 -9.8229 -9.7601 -9.7601 -0.6452 -0.6452 -0.6347 -0.6347 4.9006 4.9006 4.9387 4.9387 6.0286 6.0286 6.0365 6.0365 8.2194 8.2194 8.2405 8.2405 10.4759 10.4759 10.5075 10.5075 k = 0.2727 0.6397 0.7394 ( 3344 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0024 -11.0024 -10.9995 -10.9995 -9.9607 -9.9607 -9.8961 -9.8961 -9.8253 -9.8253 -9.7619 -9.7619 -0.6493 -0.6493 -0.6393 -0.6393 4.9308 4.9308 4.9693 4.9693 6.0137 6.0137 6.0218 6.0218 8.2006 8.2006 8.2234 8.2234 10.4955 10.4955 10.5282 10.5282 k = 0.2651 0.6219 0.7394 ( 3348 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0022 -11.0022 -10.9991 -10.9991 -9.9596 -9.9596 -9.8941 -9.8941 -9.8276 -9.8276 -9.7637 -9.7637 -0.6532 -0.6532 -0.6438 -0.6438 4.9601 4.9601 4.9990 4.9990 5.9997 5.9997 6.0079 6.0079 8.1832 8.1832 8.2077 8.2077 10.4893 10.4893 10.5217 10.5217 k = 0.2576 0.6042 0.7394 ( 3352 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0021 -11.0021 -10.9987 -10.9987 -9.9584 -9.9584 -9.8921 -9.8921 -9.8298 -9.8298 -9.7655 -9.7655 -0.6570 -0.6570 -0.6482 -0.6482 4.9883 4.9883 5.0275 5.0275 5.9868 5.9868 5.9949 5.9949 8.1667 8.1667 8.1932 8.1932 10.4606 10.4606 10.4912 10.4912 k = 0.2500 0.5864 0.7394 ( 3356 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0019 -11.0019 -10.9982 -10.9982 -9.9570 -9.9570 -9.8902 -9.8902 -9.8318 -9.8318 -9.7674 -9.7674 -0.6606 -0.6606 -0.6524 -0.6524 5.0153 5.0153 5.0545 5.0545 5.9752 5.9752 5.9830 5.9830 8.1508 8.1508 8.1793 8.1793 10.4166 10.4166 10.4446 10.4446 k = 0.2424 0.5686 0.7394 ( 3352 PWs) bands (ev): -28.1177 -28.1177 -28.1177 -28.1177 -11.0016 -11.0016 -10.9978 -10.9978 -9.9556 -9.9556 -9.8883 -9.8883 -9.8337 -9.8337 -9.7692 -9.7692 -0.6639 -0.6639 -0.6564 -0.6564 5.0407 5.0407 5.0798 5.0798 5.9650 5.9650 5.9724 5.9724 8.1351 8.1351 8.1656 8.1656 10.3647 10.3647 10.3898 10.3898 k = 0.2348 0.5508 0.7394 ( 3344 PWs) bands (ev): -28.1178 -28.1178 -28.1177 -28.1177 -11.0014 -11.0014 -10.9973 -10.9973 -9.9540 -9.9540 -9.8865 -9.8865 -9.8354 -9.8354 -9.7711 -9.7711 -0.6671 -0.6671 -0.6602 -0.6602 5.0644 5.0644 5.1031 5.1031 5.9564 5.9564 5.9632 5.9632 8.1191 8.1191 8.1517 8.1517 10.3101 10.3101 10.3326 10.3326 k = 0.2273 0.5331 0.7394 ( 3352 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0011 -11.0011 -10.9968 -10.9968 -9.9524 -9.9524 -9.8848 -9.8848 -9.8370 -9.8370 -9.7729 -9.7729 -0.6700 -0.6700 -0.6638 -0.6638 5.0862 5.0862 5.1242 5.1242 5.9496 5.9496 5.9556 5.9556 8.1026 8.1026 8.1371 8.1371 10.2567 10.2567 10.2766 10.2766 k = 0.2197 0.5153 0.7394 ( 3352 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0007 -11.0007 -10.9963 -10.9963 -9.9506 -9.9506 -9.8832 -9.8832 -9.8384 -9.8384 -9.7748 -9.7748 -0.6727 -0.6727 -0.6672 -0.6672 5.1058 5.1058 5.1430 5.1430 5.9448 5.9448 5.9498 5.9498 8.0851 8.0851 8.1215 8.1215 10.2067 10.2067 10.2244 10.2244 k = 0.2121 0.4975 0.7394 ( 3336 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0004 -11.0004 -10.9958 -10.9958 -9.9488 -9.9488 -9.8817 -9.8817 -9.8395 -9.8395 -9.7766 -9.7766 -0.6751 -0.6751 -0.6703 -0.6703 5.1231 5.1231 5.1591 5.1591 5.9421 5.9421 5.9459 5.9459 8.0664 8.0664 8.1045 8.1045 10.1616 10.1616 10.1773 10.1773 k = 0.2045 0.4798 0.7394 ( 3340 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0000 -11.0000 -10.9952 -10.9952 -9.9469 -9.9469 -9.8804 -9.8804 -9.8405 -9.8405 -9.7785 -9.7785 -0.6774 -0.6774 -0.6732 -0.6732 5.1381 5.1381 5.1726 5.1726 5.9416 5.9416 5.9438 5.9438 8.0461 8.0461 8.0859 8.0859 10.1223 10.1223 10.1364 10.1364 k = 0.1970 0.4620 0.7394 ( 3340 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -10.9996 -10.9996 -10.9947 -10.9947 -9.9449 -9.9449 -9.8793 -9.8793 -9.8411 -9.8411 -9.7803 -9.7803 -0.6794 -0.6794 -0.6759 -0.6759 5.1506 5.1506 5.1834 5.1834 5.9432 5.9432 5.9438 5.9438 8.0243 8.0243 8.0654 8.0654 10.0893 10.0893 10.1020 10.1020 k = 0.1894 0.4442 0.7394 ( 3344 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -10.9991 -10.9991 -10.9941 -10.9941 -9.9428 -9.9428 -9.8783 -9.8783 -9.8415 -9.8415 -9.7821 -9.7821 -0.6812 -0.6812 -0.6783 -0.6783 5.1606 5.1606 5.1916 5.1916 5.9457 5.9457 5.9469 5.9469 8.0008 8.0008 8.0430 8.0430 10.0628 10.0628 10.0745 10.0745 k = 0.1818 0.4265 0.7394 ( 3350 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -10.9987 -10.9987 -10.9936 -10.9936 -9.9407 -9.9407 -9.8776 -9.8776 -9.8416 -9.8416 -9.7839 -9.7839 -0.6828 -0.6828 -0.6805 -0.6805 5.1683 5.1683 5.1972 5.1972 5.9495 5.9495 5.9526 5.9526 7.9757 7.9757 8.0186 8.0186 10.0427 10.0427 10.0536 10.0536 k = 0.1742 0.4087 0.7394 ( 3346 PWs) bands (ev): -28.1180 -28.1180 -28.1180 -28.1180 -10.9982 -10.9982 -10.9930 -10.9930 -9.9385 -9.9385 -9.8772 -9.8772 -9.8415 -9.8415 -9.7856 -9.7856 -0.6842 -0.6842 -0.6825 -0.6825 5.1737 5.1737 5.2004 5.2004 5.9551 5.9551 5.9601 5.9601 7.9490 7.9490 7.9925 7.9925 10.0287 10.0287 10.0392 10.0392 k = 0.1667 0.3909 0.7394 ( 3342 PWs) bands (ev): -28.1180 -28.1180 -28.1180 -28.1180 -10.9977 -10.9977 -10.9925 -10.9925 -9.9362 -9.9362 -9.8769 -9.8769 -9.8411 -9.8411 -9.7874 -9.7874 -0.6854 -0.6854 -0.6842 -0.6842 5.1771 5.1771 5.2015 5.2015 5.9623 5.9623 5.9693 5.9693 7.9211 7.9211 7.9647 7.9647 10.0204 10.0204 10.0307 10.0307 k = 0.1591 0.3732 0.7394 ( 3342 PWs) bands (ev): -28.1180 -28.1180 -28.1180 -28.1180 -10.9971 -10.9971 -10.9919 -10.9919 -9.9340 -9.9340 -9.8769 -9.8769 -9.8405 -9.8405 -9.7891 -9.7891 -0.6864 -0.6864 -0.6857 -0.6857 5.1785 5.1785 5.2006 5.2006 5.9710 5.9710 5.9798 5.9798 7.8921 7.8921 7.9356 7.9356 10.0172 10.0172 10.0276 10.0276 k = 0.1515 0.3554 0.7394 ( 3344 PWs) bands (ev): -28.1181 -28.1181 -28.1181 -28.1181 -10.9966 -10.9966 -10.9914 -10.9914 -9.9317 -9.9317 -9.8770 -9.8770 -9.8396 -9.8396 -9.7907 -9.7907 -0.6873 -0.6873 -0.6871 -0.6871 5.1783 5.1783 5.1981 5.1981 5.9808 5.9808 5.9914 5.9914 7.8623 7.8623 7.9055 7.9055 10.0185 10.0185 10.0291 10.0291 k = 0.1439 0.3376 0.7394 ( 3348 PWs) bands (ev): -28.1181 -28.1181 -28.1181 -28.1181 -10.9960 -10.9960 -10.9909 -10.9909 -9.9293 -9.9293 -9.8773 -9.8773 -9.8386 -9.8386 -9.7924 -9.7924 -0.6882 -0.6882 -0.6880 -0.6880 5.1766 5.1766 5.1943 5.1943 5.9917 5.9917 6.0038 6.0038 7.8322 7.8322 7.8747 7.8747 10.0233 10.0233 10.0343 10.0343 k = 0.1364 0.3198 0.7394 ( 3348 PWs) bands (ev): -28.1182 -28.1182 -28.1182 -28.1182 -10.9954 -10.9954 -10.9904 -10.9904 -9.9270 -9.9270 -9.8777 -9.8777 -9.8375 -9.8375 -9.7939 -9.7939 -0.6892 -0.6892 -0.6886 -0.6886 5.1738 5.1738 5.1893 5.1893 6.0033 6.0033 6.0168 6.0168 7.8019 7.8019 7.8435 7.8435 10.0310 10.0310 10.0424 10.0424 k = 0.1288 0.3021 0.7394 ( 3352 PWs) bands (ev): -28.1182 -28.1182 -28.1182 -28.1182 -10.9948 -10.9948 -10.9899 -10.9899 -9.9247 -9.9247 -9.8782 -9.8782 -9.8362 -9.8362 -9.7955 -9.7955 -0.6900 -0.6900 -0.6890 -0.6890 5.1700 5.1700 5.1836 5.1836 6.0155 6.0155 6.0302 6.0302 7.7718 7.7718 7.8123 7.8123 10.0406 10.0406 10.0525 10.0525 k = 0.1212 0.2843 0.7394 ( 3352 PWs) bands (ev): -28.1183 -28.1183 -28.1183 -28.1183 -10.9942 -10.9942 -10.9894 -10.9894 -9.9224 -9.9224 -9.8787 -9.8787 -9.8349 -9.8349 -9.7970 -9.7970 -0.6906 -0.6906 -0.6894 -0.6894 5.1655 5.1655 5.1772 5.1772 6.0281 6.0281 6.0437 6.0437 7.7423 7.7423 7.7815 7.7815 10.0513 10.0513 10.0637 10.0637 k = 0.1136 0.2665 0.7394 ( 3344 PWs) bands (ev): -28.1183 -28.1183 -28.1183 -28.1183 -10.9937 -10.9937 -10.9890 -10.9890 -9.9201 -9.9201 -9.8794 -9.8794 -9.8336 -9.8336 -9.7984 -9.7984 -0.6911 -0.6911 -0.6896 -0.6896 5.1604 5.1604 5.1704 5.1704 6.0408 6.0408 6.0571 6.0571 7.7136 7.7136 7.7513 7.7513 10.0624 10.0624 10.0752 10.0752 k = 0.1061 0.2488 0.7394 ( 3348 PWs) bands (ev): -28.1184 -28.1184 -28.1184 -28.1184 -10.9931 -10.9931 -10.9886 -10.9886 -9.9178 -9.9178 -9.8801 -9.8801 -9.8322 -9.8322 -9.7998 -9.7998 -0.6915 -0.6915 -0.6898 -0.6898 5.1549 5.1549 5.1635 5.1635 6.0535 6.0535 6.0702 6.0702 7.6860 7.6860 7.7220 7.7220 10.0732 10.0732 10.0862 10.0862 k = 0.0985 0.2310 0.7394 ( 3344 PWs) bands (ev): -28.1184 -28.1184 -28.1184 -28.1184 -10.9925 -10.9925 -10.9882 -10.9882 -9.9156 -9.9156 -9.8808 -9.8808 -9.8308 -9.8308 -9.8012 -9.8012 -0.6918 -0.6918 -0.6900 -0.6900 5.1493 5.1493 5.1565 5.1565 6.0660 6.0660 6.0829 6.0829 7.6596 7.6596 7.6938 7.6938 10.0831 10.0831 10.0962 10.0962 k = 0.0909 0.2132 0.7394 ( 3356 PWs) bands (ev): -28.1185 -28.1185 -28.1185 -28.1185 -10.9919 -10.9919 -10.9879 -10.9879 -9.9134 -9.9134 -9.8816 -9.8816 -9.8294 -9.8294 -9.8025 -9.8025 -0.6920 -0.6920 -0.6901 -0.6901 5.1436 5.1436 5.1496 5.1496 6.0783 6.0783 6.0951 6.0951 7.6348 7.6348 7.6669 7.6669 10.0916 10.0916 10.1046 10.1046 k = 0.0833 0.1955 0.7394 ( 3352 PWs) bands (ev): -28.1185 -28.1185 -28.1185 -28.1185 -10.9914 -10.9914 -10.9876 -10.9876 -9.9113 -9.9113 -9.8824 -9.8824 -9.8280 -9.8280 -9.8037 -9.8037 -0.6921 -0.6921 -0.6901 -0.6901 5.1380 5.1380 5.1429 5.1429 6.0901 6.0901 6.1066 6.1066 7.6116 7.6116 7.6416 7.6416 10.0985 10.0985 10.1112 10.1112 k = 0.0758 0.1777 0.7394 ( 3352 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -10.9908 -10.9908 -10.9873 -10.9873 -9.9093 -9.9093 -9.8832 -9.8832 -9.8267 -9.8267 -9.8049 -9.8049 -0.6921 -0.6921 -0.6902 -0.6902 5.1326 5.1326 5.1365 5.1365 6.1013 6.1013 6.1172 6.1172 7.5902 7.5902 7.6180 7.6180 10.1036 10.1036 10.1158 10.1158 k = 0.0682 0.1599 0.7394 ( 3348 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -10.9903 -10.9903 -10.9871 -10.9871 -9.9073 -9.9073 -9.8840 -9.8840 -9.8253 -9.8253 -9.8061 -9.8061 -0.6921 -0.6921 -0.6902 -0.6902 5.1275 5.1275 5.1306 5.1306 6.1119 6.1119 6.1270 6.1270 7.5707 7.5707 7.5961 7.5961 10.1070 10.1070 10.1184 10.1184 k = 0.0606 0.1422 0.7394 ( 3356 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -10.9898 -10.9898 -10.9869 -10.9869 -9.9054 -9.9054 -9.8849 -9.8849 -9.8241 -9.8241 -9.8072 -9.8072 -0.6920 -0.6920 -0.6902 -0.6902 5.1227 5.1227 5.1252 5.1252 6.1217 6.1217 6.1358 6.1358 7.5532 7.5532 7.5761 7.5761 10.1088 10.1088 10.1194 10.1194 k = 0.0530 0.1244 0.7394 ( 3356 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9894 -10.9894 -10.9867 -10.9867 -9.9036 -9.9036 -9.8857 -9.8857 -9.8228 -9.8228 -9.8083 -9.8083 -0.6919 -0.6919 -0.6903 -0.6903 5.1184 5.1184 5.1202 5.1202 6.1308 6.1308 6.1436 6.1436 7.5378 7.5378 7.5582 7.5582 10.1093 10.1093 10.1188 10.1188 k = 0.0455 0.1066 0.7394 ( 3352 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9889 -10.9889 -10.9866 -10.9866 -9.9018 -9.9018 -9.8867 -9.8867 -9.8216 -9.8216 -9.8093 -9.8093 -0.6918 -0.6918 -0.6903 -0.6903 5.1145 5.1145 5.1159 5.1159 6.1389 6.1389 6.1503 6.1503 7.5246 7.5246 7.5422 7.5422 10.1089 10.1089 10.1172 10.1172 k = 0.0379 0.0888 0.7394 ( 3360 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9885 -10.9885 -10.9866 -10.9866 -9.9002 -9.9002 -9.8876 -9.8876 -9.8205 -9.8205 -9.8103 -9.8103 -0.6916 -0.6916 -0.6903 -0.6903 5.1112 5.1112 5.1122 5.1122 6.1461 6.1461 6.1558 6.1558 7.5136 7.5136 7.5284 7.5284 10.1078 10.1078 10.1148 10.1148 k = 0.0303 0.0711 0.7394 ( 3360 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9881 -10.9881 -10.9866 -10.9866 -9.8986 -9.8986 -9.8886 -9.8886 -9.8194 -9.8194 -9.8113 -9.8113 -0.6915 -0.6915 -0.6904 -0.6904 5.1084 5.1084 5.1091 5.1091 6.1522 6.1522 6.1602 6.1602 7.5048 7.5048 7.5168 7.5168 10.1065 10.1065 10.1122 10.1122 k = 0.0227 0.0533 0.7394 ( 3356 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9878 -10.9878 -10.9866 -10.9866 -9.8971 -9.8971 -9.8896 -9.8896 -9.8183 -9.8183 -9.8123 -9.8123 -0.6913 -0.6913 -0.6905 -0.6905 5.1062 5.1062 5.1067 5.1067 6.1573 6.1573 6.1634 6.1634 7.4983 7.4983 7.5074 7.5074 10.1052 10.1052 10.1095 10.1095 k = 0.0152 0.0355 0.7394 ( 3356 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9875 -10.9875 -10.9867 -10.9867 -9.8957 -9.8957 -9.8907 -9.8907 -9.8173 -9.8173 -9.8133 -9.8133 -0.6911 -0.6911 -0.6906 -0.6906 5.1047 5.1047 5.1050 5.1050 6.1613 6.1613 6.1654 6.1654 7.4941 7.4941 7.5002 7.5002 10.1043 10.1043 10.1072 10.1072 k = 0.0076 0.0178 0.7394 ( 3360 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9872 -10.9872 -10.9869 -10.9869 -9.8943 -9.8943 -9.8919 -9.8919 -9.8163 -9.8163 -9.8143 -9.8143 -0.6910 -0.6910 -0.6907 -0.6907 5.1038 5.1038 5.1039 5.1039 6.1641 6.1641 6.1662 6.1662 7.4922 7.4922 7.4952 7.4952 10.1040 10.1040 10.1054 10.1054 k = 0.0000 0.0000 0.7394 ( 3352 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9870 -10.9870 -10.9870 -10.9870 -9.8931 -9.8931 -9.8931 -9.8931 -9.8153 -9.8153 -9.8153 -9.8153 -0.6908 -0.6908 -0.6908 -0.6908 5.1035 5.1035 5.1035 5.1035 6.1657 6.1657 6.1657 6.1657 7.4926 7.4926 7.4926 7.4926 10.1043 10.1043 10.1043 10.1043 k = 0.0000 0.0000 0.7394 ( 3352 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9870 -10.9870 -10.9870 -10.9870 -9.8931 -9.8931 -9.8931 -9.8931 -9.8153 -9.8153 -9.8153 -9.8153 -0.6908 -0.6908 -0.6908 -0.6908 5.1035 5.1035 5.1035 5.1035 6.1657 6.1657 6.1657 6.1657 7.4926 7.4926 7.4926 7.4926 10.1043 10.1043 10.1043 10.1043 k = 0.0000 0.0000 0.7200 ( 3356 PWs) bands (ev): -28.1197 -28.1197 -28.1179 -28.1179 -10.9903 -10.9903 -10.9836 -10.9836 -9.8972 -9.8972 -9.8889 -9.8889 -9.8173 -9.8173 -9.8130 -9.8130 -0.7831 -0.7831 -0.5975 -0.5975 5.0277 5.0277 5.1810 5.1810 6.1264 6.1264 6.2070 6.2070 7.4343 7.4343 7.5534 7.5534 10.0530 10.0530 10.1535 10.1535 k = 0.0000 0.0000 0.7005 ( 3356 PWs) bands (ev): -28.1206 -28.1206 -28.1170 -28.1170 -10.9935 -10.9935 -10.9801 -10.9801 -9.9011 -9.9011 -9.8847 -9.8847 -9.8191 -9.8191 -9.8106 -9.8106 -0.8741 -0.8741 -0.5032 -0.5032 4.9542 4.9542 5.2597 5.2597 6.0892 6.0892 6.2503 6.2503 7.3791 7.3791 7.6164 7.6164 10.0001 10.0001 10.1996 10.1996 k = 0.0000 0.0000 0.6810 ( 3356 PWs) bands (ev): -28.1216 -28.1216 -28.1162 -28.1162 -10.9965 -10.9965 -10.9765 -10.9765 -9.9050 -9.9050 -9.8805 -9.8805 -9.8206 -9.8206 -9.8080 -9.8080 -0.9637 -0.9637 -0.4082 -0.4082 4.8836 4.8836 5.3388 5.3388 6.0538 6.0538 6.2957 6.2957 7.3276 7.3276 7.6812 7.6812 9.9461 9.9461 10.2416 10.2416 k = 0.0000 0.0000 0.6616 ( 3360 PWs) bands (ev): -28.1225 -28.1225 -28.1154 -28.1154 -10.9994 -10.9994 -10.9728 -10.9728 -9.9088 -9.9088 -9.8764 -9.8764 -9.8217 -9.8217 -9.8053 -9.8053 -1.0517 -1.0517 -0.3127 -0.3127 4.8161 4.8161 5.4173 5.4173 6.0205 6.0205 6.3432 6.3432 7.2807 7.2807 7.7474 7.7474 9.8915 9.8915 10.2783 10.2783 k = 0.0000 0.0000 0.6421 ( 3358 PWs) bands (ev): -28.1235 -28.1235 -28.1146 -28.1146 -11.0021 -11.0021 -10.9689 -10.9689 -9.9124 -9.9124 -9.8724 -9.8724 -9.8223 -9.8223 -9.8025 -9.8025 -1.1382 -1.1382 -0.2169 -0.2169 4.7524 4.7524 5.4941 5.4941 5.9890 5.9890 6.3927 6.3927 7.2393 7.2393 7.8150 7.8150 9.8367 9.8367 10.3082 10.3082 k = 0.0000 0.0000 0.6227 ( 3362 PWs) bands (ev): -28.1245 -28.1245 -28.1138 -28.1138 -11.0048 -11.0048 -10.9650 -10.9650 -9.9159 -9.9159 -9.8687 -9.8687 -9.8224 -9.8224 -9.7996 -9.7996 -1.2229 -1.2229 -0.1210 -0.1210 4.6927 4.6927 5.5678 5.5678 5.9595 5.9595 6.4443 6.4443 7.2048 7.2048 7.8836 7.8836 9.7819 9.7819 10.3294 10.3294 k = 0.0000 0.0000 0.6032 ( 3366 PWs) bands (ev): -28.1255 -28.1255 -28.1131 -28.1131 -11.0073 -11.0073 -10.9611 -10.9611 -9.9192 -9.9192 -9.8654 -9.8654 -9.8218 -9.8218 -9.7966 -9.7966 -1.3058 -1.3058 -0.0254 -0.0254 4.6375 4.6375 5.6367 5.6367 5.9321 5.9321 6.4979 6.4979 7.1787 7.1787 7.9530 7.9530 9.7274 9.7274 10.3400 10.3400 k = 0.0000 0.0000 0.5838 ( 3368 PWs) bands (ev): -28.1265 -28.1265 -28.1124 -28.1124 -11.0097 -11.0097 -10.9570 -10.9570 -9.9225 -9.9225 -9.8626 -9.8626 -9.8205 -9.8205 -9.7934 -9.7934 -1.3868 -1.3868 0.0697 0.0697 4.5871 4.5871 5.6987 5.6987 5.9070 5.9070 6.5537 6.5537 7.1627 7.1627 8.0230 8.0230 9.6734 9.6734 10.3379 10.3379 k = 0.0000 0.0000 0.5643 ( 3364 PWs) bands (ev): -28.1275 -28.1275 -28.1118 -28.1118 -11.0119 -11.0119 -10.9529 -10.9529 -9.9256 -9.9256 -9.8603 -9.8603 -9.8184 -9.8184 -9.7902 -9.7902 -1.4657 -1.4657 0.1639 0.1639 4.5419 4.5419 5.7510 5.7510 5.8849 5.8849 6.6114 6.6114 7.1587 7.1587 8.0934 8.0934 9.6200 9.6200 10.3217 10.3217 k = 0.0000 0.0000 0.5448 ( 3366 PWs) bands (ev): -28.1286 -28.1286 -28.1111 -28.1111 -11.0140 -11.0140 -10.9488 -10.9488 -9.9286 -9.9286 -9.8584 -9.8584 -9.8157 -9.8157 -9.7868 -9.7868 -1.5426 -1.5426 0.2569 0.2569 4.5025 4.5025 5.7891 5.7891 5.8688 5.8688 6.6711 6.6711 7.1687 7.1687 8.1639 8.1639 9.5675 9.5675 10.2905 10.2905 k = 0.0000 0.0000 0.5254 ( 3364 PWs) bands (ev): -28.1296 -28.1296 -28.1105 -28.1105 -11.0161 -11.0161 -10.9447 -10.9447 -9.9315 -9.9315 -9.8570 -9.8570 -9.8123 -9.8123 -9.7832 -9.7832 -1.6174 -1.6174 0.3482 0.3482 4.4691 4.4691 5.8038 5.8038 5.8660 5.8660 6.7327 6.7327 7.1938 7.1938 8.2342 8.2342 9.5159 9.5159 10.2447 10.2447 k = 0.0000 0.0000 0.5059 ( 3364 PWs) bands (ev): -28.1306 -28.1306 -28.1100 -28.1100 -11.0180 -11.0180 -10.9405 -10.9405 -9.9343 -9.9343 -9.8558 -9.8558 -9.8086 -9.8086 -9.7794 -9.7794 -1.6899 -1.6899 0.4375 0.4375 4.4422 4.4422 5.7966 5.7966 5.8748 5.8748 6.7962 6.7962 7.2347 7.2347 8.3039 8.3039 9.4656 9.4656 10.1859 10.1859 k = 0.0000 0.0000 0.4865 ( 3366 PWs) bands (ev): -28.1316 -28.1316 -28.1094 -28.1094 -11.0198 -11.0198 -10.9364 -10.9364 -9.9371 -9.9371 -9.8549 -9.8549 -9.8047 -9.8047 -9.7754 -9.7754 -1.7602 -1.7602 0.5243 0.5243 4.4223 4.4223 5.7820 5.7820 5.8805 5.8805 6.8614 6.8614 7.2912 7.2912 8.3725 8.3725 9.4165 9.4165 10.1167 10.1167 k = 0.0000 0.0000 0.4670 ( 3366 PWs) bands (ev): -28.1326 -28.1326 -28.1089 -28.1089 -11.0214 -11.0214 -10.9322 -10.9322 -9.9397 -9.9397 -9.8540 -9.8540 -9.8007 -9.8007 -9.7711 -9.7711 -1.8281 -1.8281 0.6083 0.6083 4.4098 4.4098 5.7661 5.7661 5.8781 5.8781 6.9285 6.9285 7.3621 7.3621 8.4392 8.4392 9.3690 9.3690 10.0402 10.0402 k = 0.0000 0.0000 0.4475 ( 3366 PWs) bands (ev): -28.1336 -28.1336 -28.1084 -28.1084 -11.0230 -11.0230 -10.9281 -10.9281 -9.9423 -9.9423 -9.8531 -9.8531 -9.7968 -9.7968 -9.7665 -9.7665 -1.8937 -1.8937 0.6888 0.6888 4.4051 4.4051 5.7505 5.7505 5.8676 5.8676 6.9972 6.9972 7.4460 7.4460 8.5030 8.5030 9.3232 9.3232 9.9596 9.9596 k = 0.0000 0.0000 0.4281 ( 3354 PWs) bands (ev): -28.1346 -28.1346 -28.1080 -28.1080 -11.0245 -11.0245 -10.9241 -10.9241 -9.9449 -9.9449 -9.8522 -9.8522 -9.7931 -9.7931 -9.7615 -9.7615 -1.9569 -1.9569 0.7657 0.7657 4.4086 4.4086 5.7355 5.7355 5.8500 5.8500 7.0676 7.0676 7.5408 7.5408 8.5625 8.5625 9.2793 9.2793 9.8782 9.8782 k = 0.0000 0.0000 0.4086 ( 3354 PWs) bands (ev): -28.1356 -28.1356 -28.1076 -28.1076 -11.0259 -11.0259 -10.9201 -10.9201 -9.9473 -9.9473 -9.8512 -9.8512 -9.7897 -9.7897 -9.7562 -9.7562 -2.0176 -2.0176 0.8383 0.8383 4.4207 4.4207 5.7214 5.7214 5.8271 5.8271 7.1394 7.1394 7.6449 7.6449 8.6158 8.6158 9.2378 9.2378 9.7995 9.7995 k = 0.0000 0.0000 0.3892 ( 3354 PWs) bands (ev): -28.1365 -28.1365 -28.1072 -28.1072 -11.0273 -11.0273 -10.9162 -10.9162 -9.9497 -9.9497 -9.8501 -9.8501 -9.7865 -9.7865 -9.7507 -9.7507 -2.0758 -2.0758 0.9065 0.9065 4.4416 4.4416 5.7079 5.7079 5.8001 5.8001 7.2126 7.2126 7.7564 7.7564 8.6601 8.6601 9.1989 9.1989 9.7275 9.7275 k = 0.0000 0.0000 0.3697 ( 3346 PWs) bands (ev): -28.1375 -28.1375 -28.1068 -28.1068 -11.0285 -11.0285 -10.9125 -10.9125 -9.9520 -9.9520 -9.8488 -9.8488 -9.7835 -9.7835 -9.7450 -9.7450 -2.1314 -2.1314 0.9698 0.9698 4.4715 4.4715 5.6950 5.6950 5.7706 5.7706 7.2871 7.2871 7.8736 7.8736 8.6917 8.6917 9.1632 9.1632 9.6663 9.6663 k = 0.0000 0.0000 0.3503 ( 3346 PWs) bands (ev): -28.1384 -28.1384 -28.1064 -28.1064 -11.0297 -11.0297 -10.9088 -10.9088 -9.9543 -9.9543 -9.8475 -9.8475 -9.7809 -9.7809 -9.7392 -9.7392 -2.1844 -2.1844 1.0282 1.0282 4.5107 4.5107 5.6821 5.6821 5.7400 5.7400 7.3625 7.3625 7.9949 7.9949 8.7065 8.7065 9.1316 9.1316 9.6207 9.6207 k = 0.0000 0.0000 0.3308 ( 3342 PWs) bands (ev): -28.1392 -28.1392 -28.1061 -28.1061 -11.0307 -11.0307 -10.9052 -10.9052 -9.9565 -9.9565 -9.8461 -9.8461 -9.7784 -9.7784 -9.7332 -9.7332 -2.2348 -2.2348 1.0814 1.0814 4.5590 4.5590 5.6680 5.6680 5.7105 5.7105 7.4387 7.4387 8.1182 8.1182 8.7009 8.7009 9.1053 9.1053 9.5943 9.5943 k = 0.0000 0.0000 0.3113 ( 3340 PWs) bands (ev): -28.1401 -28.1401 -28.1058 -28.1058 -11.0318 -11.0318 -10.9018 -10.9018 -9.9586 -9.9586 -9.8446 -9.8446 -9.7762 -9.7762 -9.7273 -9.7273 -2.2825 -2.2825 1.1295 1.1295 4.6164 4.6164 5.6492 5.6492 5.6860 5.6860 7.5154 7.5154 8.2408 8.2408 8.6732 8.6732 9.0864 9.0864 9.5886 9.5886 k = 0.0000 0.0000 0.2919 ( 3348 PWs) bands (ev): -28.1409 -28.1409 -28.1056 -28.1056 -11.0327 -11.0327 -10.8985 -10.8985 -9.9606 -9.9606 -9.8430 -9.8430 -9.7741 -9.7741 -9.7215 -9.7215 -2.3275 -2.3275 1.1725 1.1725 4.6826 4.6826 5.6233 5.6233 5.6696 5.6696 7.5923 7.5923 8.3587 8.3587 8.6248 8.6248 9.0786 9.0786 9.6019 9.6019 k = 0.0000 0.0000 0.2724 ( 3346 PWs) bands (ev): -28.1416 -28.1416 -28.1053 -28.1053 -11.0336 -11.0336 -10.8954 -10.8954 -9.9625 -9.9625 -9.8413 -9.8413 -9.7723 -9.7723 -9.7157 -9.7157 -2.3698 -2.3698 1.2105 1.2105 4.7574 4.7574 5.5935 5.5935 5.6585 5.6585 7.6690 7.6690 8.4653 8.4653 8.5590 8.5590 9.0879 9.0879 9.6303 9.6303 k = 0.0000 0.0000 0.2530 ( 3346 PWs) bands (ev): -28.1423 -28.1423 -28.1051 -28.1051 -11.0344 -11.0344 -10.8925 -10.8925 -9.9644 -9.9644 -9.8396 -9.8396 -9.7706 -9.7706 -9.7101 -9.7101 -2.4093 -2.4093 1.2439 1.2439 4.8401 4.8401 5.5631 5.5631 5.6499 5.6499 7.7451 7.7451 8.4790 8.4790 8.5530 8.5530 9.1225 9.1225 9.6691 9.6691 k = 0.0000 0.0000 0.2335 ( 3328 PWs) bands (ev): -28.1430 -28.1430 -28.1049 -28.1049 -11.0351 -11.0351 -10.8897 -10.8897 -9.9661 -9.9661 -9.8380 -9.8380 -9.7690 -9.7690 -9.7048 -9.7048 -2.4460 -2.4460 1.2728 1.2728 4.9301 4.9301 5.5333 5.5333 5.6426 5.6426 7.8201 7.8201 8.3892 8.3892 8.6131 8.6131 9.1893 9.1893 9.7141 9.7141 k = 0.0000 0.0000 0.2140 ( 3328 PWs) bands (ev): -28.1437 -28.1437 -28.1047 -28.1047 -11.0358 -11.0358 -10.8871 -10.8871 -9.9677 -9.9677 -9.8363 -9.8363 -9.7676 -9.7676 -9.6997 -9.6997 -2.4799 -2.4799 1.2977 1.2977 5.0267 5.0267 5.5049 5.5049 5.6364 5.6364 7.8933 7.8933 8.2915 8.2915 8.6469 8.6469 9.2878 9.2878 9.7613 9.7613 k = 0.0000 0.0000 0.1946 ( 3328 PWs) bands (ev): -28.1442 -28.1442 -28.1045 -28.1045 -11.0365 -11.0365 -10.8848 -10.8848 -9.9692 -9.9692 -9.8347 -9.8347 -9.7664 -9.7664 -9.6949 -9.6949 -2.5109 -2.5109 1.3189 1.3189 5.1289 5.1289 5.4784 5.4784 5.6311 5.6311 7.9634 7.9634 8.1884 8.1884 8.6612 8.6612 9.4107 9.4107 9.8065 9.8065 k = 0.0000 0.0000 0.1751 ( 3324 PWs) bands (ev): -28.1448 -28.1448 -28.1044 -28.1044 -11.0370 -11.0370 -10.8826 -10.8826 -9.9706 -9.9706 -9.8331 -9.8331 -9.7652 -9.7652 -9.6904 -9.6904 -2.5391 -2.5391 1.3367 1.3367 5.2352 5.2352 5.4546 5.4546 5.6265 5.6265 8.0208 8.0208 8.0903 8.0903 8.6640 8.6640 9.5496 9.5496 9.8434 9.8434 k = 0.0000 0.0000 0.1557 ( 3320 PWs) bands (ev): -28.1453 -28.1453 -28.1043 -28.1043 -11.0375 -11.0375 -10.8806 -10.8806 -9.9718 -9.9718 -9.8317 -9.8317 -9.7643 -9.7643 -9.6864 -9.6864 -2.5643 -2.5643 1.3515 1.3515 5.3413 5.3413 5.4364 5.4364 5.6229 5.6229 7.9563 7.9563 8.1069 8.1069 8.6605 8.6605 9.6977 9.6977 9.8622 9.8622 k = 0.0000 0.0000 0.1362 ( 3328 PWs) bands (ev): -28.1457 -28.1457 -28.1042 -28.1042 -11.0380 -11.0380 -10.8789 -10.8789 -9.9730 -9.9730 -9.8303 -9.8303 -9.7634 -9.7634 -9.6827 -9.6827 -2.5866 -2.5866 1.3637 1.3637 5.3972 5.3972 5.4721 5.4721 5.6207 5.6207 7.8442 7.8442 8.1648 8.1648 8.6540 8.6540 9.8205 9.8205 9.8818 9.8818 k = 0.0000 0.0000 0.1168 ( 3336 PWs) bands (ev): -28.1461 -28.1461 -28.1041 -28.1041 -11.0384 -11.0384 -10.8774 -10.8774 -9.9739 -9.9739 -9.8291 -9.8291 -9.7627 -9.7627 -9.6794 -9.6794 -2.6060 -2.6060 1.3736 1.3736 5.3862 5.3862 5.5707 5.5707 5.6258 5.6258 7.7296 7.7296 8.2194 8.2194 8.6465 8.6465 9.7970 9.7970 10.0276 10.0276 k = 0.0000 0.0000 0.0973 ( 3338 PWs) bands (ev): -28.1464 -28.1464 -28.1040 -28.1040 -11.0387 -11.0387 -10.8761 -10.8761 -9.9748 -9.9748 -9.8280 -9.8280 -9.7621 -9.7621 -9.6767 -9.6767 -2.6225 -2.6225 1.3815 1.3815 5.3721 5.3721 5.6057 5.6057 5.6982 5.6982 7.6169 7.6169 8.2683 8.2683 8.6390 8.6390 9.7507 9.7507 10.1413 10.1413 k = 0.0000 0.0000 0.0778 ( 3338 PWs) bands (ev): -28.1467 -28.1467 -28.1039 -28.1039 -11.0390 -11.0390 -10.8750 -10.8750 -9.9755 -9.9755 -9.8271 -9.8271 -9.7615 -9.7615 -9.6744 -9.6744 -2.6359 -2.6359 1.3875 1.3875 5.3600 5.3600 5.6068 5.6068 5.8003 5.8003 7.5098 7.5098 8.3101 8.3101 8.6323 8.6323 9.7067 9.7067 10.1679 10.1679 k = 0.0000 0.0000 0.0584 ( 3338 PWs) bands (ev): -28.1469 -28.1469 -28.1039 -28.1039 -11.0392 -11.0392 -10.8742 -10.8742 -9.9760 -9.9760 -9.8264 -9.8264 -9.7612 -9.7612 -9.6725 -9.6725 -2.6464 -2.6464 1.3921 1.3921 5.3502 5.3502 5.6061 5.6061 5.8943 5.8943 7.4135 7.4135 8.3438 8.3438 8.6267 8.6267 9.6702 9.6702 10.1913 10.1913 k = 0.0000 0.0000 0.0389 ( 3341 PWs) bands (ev): -28.1470 -28.1470 -28.1038 -28.1038 -11.0393 -11.0393 -10.8736 -10.8736 -9.9764 -9.9764 -9.8259 -9.8259 -9.7609 -9.7609 -9.6712 -9.6712 -2.6539 -2.6539 1.3952 1.3952 5.3432 5.3432 5.6053 5.6053 5.9716 5.9716 7.3348 7.3348 8.3685 8.3685 8.6225 8.6225 9.6433 9.6433 10.2093 10.2093 k = 0.0000 0.0000 0.0195 ( 3353 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0394 -11.0394 -10.8732 -10.8732 -9.9766 -9.9766 -9.8256 -9.8256 -9.7607 -9.7607 -9.6704 -9.6704 -2.6584 -2.6584 1.3970 1.3970 5.3390 5.3390 5.6048 5.6048 6.0233 6.0233 7.2822 7.2822 8.3836 8.3836 8.6200 8.6200 9.6269 9.6269 10.2206 10.2206 k = 0.0000 0.0000 0.0000 ( 3351 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0394 -11.0394 -10.8731 -10.8731 -9.9767 -9.9767 -9.8255 -9.8255 -9.7607 -9.7607 -9.6702 -9.6702 -2.6599 -2.6599 1.3976 1.3976 5.3375 5.3375 5.6046 5.6046 6.0417 6.0417 7.2635 7.2635 8.3887 8.3887 8.6191 8.6191 9.6214 9.6214 10.2244 10.2244 k = 0.0000 0.0000 0.0000 ( 3351 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0394 -11.0394 -10.8731 -10.8731 -9.9767 -9.9767 -9.8255 -9.8255 -9.7607 -9.7607 -9.6702 -9.6702 -2.6599 -2.6599 1.3976 1.3976 5.3375 5.3375 5.6046 5.6046 6.0417 6.0417 7.2635 7.2635 8.3887 8.3887 8.6191 8.6191 9.6214 9.6214 10.2244 10.2244 k =-0.0179 0.0076 0.0000 ( 3351 PWs) bands (ev): -28.1471 -28.1471 -28.1038 -28.1038 -11.0393 -11.0393 -10.8733 -10.8733 -9.9765 -9.9765 -9.8255 -9.8255 -9.7607 -9.7607 -9.6704 -9.6704 -2.6593 -2.6593 1.3964 1.3964 5.3401 5.3401 5.6051 5.6051 6.0414 6.0414 7.2644 7.2644 8.3900 8.3900 8.6147 8.6147 9.6175 9.6175 10.2225 10.2225 k =-0.0357 0.0152 0.0000 ( 3345 PWs) bands (ev): -28.1470 -28.1470 -28.1039 -28.1039 -11.0390 -11.0390 -10.8737 -10.8737 -9.9761 -9.9761 -9.8255 -9.8255 -9.7608 -9.7608 -9.6709 -9.6709 -2.6573 -2.6573 1.3930 1.3930 5.3478 5.3478 5.6065 5.6065 6.0406 6.0406 7.2671 7.2671 8.3940 8.3940 8.6018 8.6018 9.6061 9.6061 10.2170 10.2170 k =-0.0536 0.0228 0.0000 ( 3339 PWs) bands (ev): -28.1469 -28.1469 -28.1041 -28.1041 -11.0384 -11.0384 -10.8744 -10.8744 -9.9753 -9.9753 -9.8254 -9.8254 -9.7610 -9.7610 -9.6719 -9.6719 -2.6542 -2.6542 1.3872 1.3872 5.3605 5.3605 5.6087 5.6087 6.0392 6.0392 7.2712 7.2712 8.4006 8.4006 8.5809 8.5809 9.5871 9.5871 10.2085 10.2085 k =-0.0714 0.0305 0.0000 ( 3343 PWs) bands (ev): -28.1466 -28.1466 -28.1043 -28.1043 -11.0375 -11.0375 -10.8754 -10.8754 -9.9742 -9.9742 -9.8254 -9.8254 -9.7613 -9.7613 -9.6732 -9.6732 -2.6498 -2.6498 1.3794 1.3794 5.3782 5.3782 5.6119 5.6119 6.0373 6.0373 7.2767 7.2767 8.4098 8.4098 8.5531 8.5531 9.5611 9.5611 10.1981 10.1981 k =-0.0893 0.0381 0.0000 ( 3339 PWs) bands (ev): -28.1463 -28.1463 -28.1046 -28.1046 -11.0365 -11.0365 -10.8766 -10.8766 -9.9728 -9.9728 -9.8254 -9.8254 -9.7616 -9.7616 -9.6748 -9.6748 -2.6443 -2.6443 1.3695 1.3695 5.4006 5.4006 5.6158 5.6158 6.0350 6.0350 7.2830 7.2830 8.4215 8.4215 8.5196 8.5196 9.5285 9.5285 10.1868 10.1868 k =-0.1071 0.0457 0.0000 ( 3343 PWs) bands (ev): -28.1460 -28.1460 -28.1049 -28.1049 -11.0352 -11.0352 -10.8781 -10.8781 -9.9711 -9.9711 -9.8254 -9.8254 -9.7620 -9.7620 -9.6768 -9.6768 -2.6376 -2.6376 1.3577 1.3577 5.4277 5.4277 5.6206 5.6206 6.0321 6.0321 7.2897 7.2897 8.4352 8.4352 8.4822 8.4822 9.4902 9.4902 10.1754 10.1754 k =-0.1250 0.0533 0.0000 ( 3339 PWs) bands (ev): -28.1456 -28.1456 -28.1053 -28.1053 -11.0337 -11.0337 -10.8799 -10.8799 -9.9692 -9.9692 -9.8254 -9.8254 -9.7625 -9.7625 -9.6791 -9.6791 -2.6299 -2.6299 1.3443 1.3443 5.4592 5.4592 5.6261 5.6261 6.0289 6.0289 7.2960 7.2960 8.4349 8.4349 8.4584 8.4584 9.4472 9.4472 10.1649 10.1649 k =-0.1429 0.0609 0.0000 ( 3337 PWs) bands (ev): -28.1451 -28.1451 -28.1058 -28.1058 -11.0319 -11.0319 -10.8819 -10.8819 -9.9669 -9.9669 -9.8255 -9.8255 -9.7629 -9.7629 -9.6817 -9.6817 -2.6213 -2.6213 1.3293 1.3293 5.4948 5.4948 5.6323 5.6323 6.0253 6.0253 7.3013 7.3013 8.3946 8.3946 8.4753 8.4753 9.4008 9.4008 10.1558 10.1558 k =-0.1607 0.0685 0.0000 ( 3338 PWs) bands (ev): -28.1446 -28.1446 -28.1063 -28.1063 -11.0300 -11.0300 -10.8842 -10.8842 -9.9644 -9.9644 -9.8256 -9.8256 -9.7634 -9.7634 -9.6845 -9.6845 -2.6118 -2.6118 1.3131 1.3131 5.5343 5.5343 5.6392 5.6392 6.0214 6.0214 7.3046 7.3046 8.3510 8.3510 8.4975 8.4975 9.3524 9.3524 10.1486 10.1486 k =-0.1786 0.0761 0.0000 ( 3330 PWs) bands (ev): -28.1441 -28.1441 -28.1069 -28.1069 -11.0278 -11.0278 -10.8867 -10.8867 -9.9616 -9.9616 -9.8258 -9.8258 -9.7639 -9.7639 -9.6876 -9.6876 -2.6016 -2.6016 1.2959 1.2959 5.5774 5.5774 5.6467 5.6467 6.0173 6.0173 7.3052 7.3052 8.3072 8.3072 8.5227 8.5227 9.3038 9.3038 10.1437 10.1437 k =-0.1964 0.0837 0.0000 ( 3324 PWs) bands (ev): -28.1434 -28.1434 -28.1075 -28.1075 -11.0254 -11.0254 -10.8894 -10.8894 -9.9585 -9.9585 -9.8262 -9.8262 -9.7644 -9.7644 -9.6909 -9.6909 -2.5908 -2.5908 1.2779 1.2779 5.6232 5.6232 5.6552 5.6552 6.0131 6.0131 7.3022 7.3022 8.2641 8.2641 8.5506 8.5506 9.2567 9.2567 10.1412 10.1412 k =-0.2143 0.0914 0.0000 ( 3316 PWs) bands (ev): -28.1428 -28.1428 -28.1082 -28.1082 -11.0228 -11.0228 -10.8923 -10.8923 -9.9552 -9.9552 -9.8267 -9.8267 -9.7648 -9.7648 -9.6944 -9.6944 -2.5795 -2.5795 1.2593 1.2593 5.6592 5.6592 5.6768 5.6768 6.0090 6.0090 7.2950 7.2950 8.2216 8.2216 8.5813 8.5813 9.2131 9.2131 10.1413 10.1413 k =-0.2321 0.0990 0.0000 ( 3314 PWs) bands (ev): -28.1421 -28.1421 -28.1089 -28.1089 -11.0201 -11.0201 -10.8954 -10.8954 -9.9516 -9.9516 -9.8274 -9.8274 -9.7652 -9.7652 -9.6981 -9.6981 -2.5678 -2.5678 1.2404 1.2404 5.6696 5.6696 5.7267 5.7267 6.0051 6.0051 7.2833 7.2833 8.1795 8.1795 8.6147 8.6147 9.1750 9.1750 10.1439 10.1439 k =-0.2500 0.1066 0.0000 ( 3320 PWs) bands (ev): -28.1413 -28.1413 -28.1097 -28.1097 -11.0171 -11.0171 -10.8988 -10.8988 -9.9479 -9.9479 -9.8283 -9.8283 -9.7655 -9.7655 -9.7018 -9.7018 -2.5560 -2.5560 1.2215 1.2215 5.6785 5.6785 5.7802 5.7802 6.0018 6.0018 7.2670 7.2670 8.1368 8.1368 8.6508 8.6508 9.1442 9.1442 10.1491 10.1491 k =-0.2679 0.1142 0.0000 ( 3320 PWs) bands (ev): -28.1405 -28.1405 -28.1105 -28.1105 -11.0140 -11.0140 -10.9022 -10.9022 -9.9439 -9.9439 -9.8294 -9.8294 -9.7656 -9.7656 -9.7057 -9.7057 -2.5440 -2.5440 1.2027 1.2027 5.6873 5.6873 5.8346 5.8346 6.0002 6.0002 7.2465 7.2465 8.0926 8.0926 8.6895 8.6895 9.1222 9.1222 10.1567 10.1567 k =-0.2857 0.1218 0.0000 ( 3318 PWs) bands (ev): -28.1397 -28.1397 -28.1113 -28.1113 -11.0107 -11.0107 -10.9059 -10.9059 -9.9398 -9.9398 -9.8308 -9.8308 -9.7656 -9.7656 -9.7095 -9.7095 -2.5322 -2.5322 1.1843 1.1843 5.6959 5.6959 5.8870 5.8870 6.0026 6.0026 7.2224 7.2224 8.0459 8.0459 8.7311 8.7311 9.1101 9.1101 10.1664 10.1664 k =-0.3036 0.1294 0.0000 ( 3322 PWs) bands (ev): -28.1388 -28.1388 -28.1121 -28.1121 -11.0073 -11.0073 -10.9097 -10.9097 -9.9355 -9.9355 -9.8324 -9.8324 -9.7654 -9.7654 -9.7134 -9.7134 -2.5205 -2.5205 1.1665 1.1665 5.7043 5.7043 5.9290 5.9290 6.0172 6.0172 7.1954 7.1954 7.9962 7.9962 8.7753 8.7753 9.1081 9.1081 10.1780 10.1780 k =-0.3214 0.1370 0.0000 ( 3322 PWs) bands (ev): -28.1379 -28.1379 -28.1130 -28.1130 -11.0037 -11.0037 -10.9136 -10.9136 -9.9311 -9.9311 -9.8344 -9.8344 -9.7651 -9.7651 -9.7173 -9.7173 -2.5093 -2.5093 1.1495 1.1495 5.7124 5.7124 5.9492 5.9492 6.0549 6.0549 7.1664 7.1664 7.9433 7.9433 8.8222 8.8222 9.1157 9.1157 10.1907 10.1907 k =-0.3393 0.1446 0.0000 ( 3330 PWs) bands (ev): -28.1370 -28.1370 -28.1139 -28.1139 -11.0001 -11.0001 -10.9176 -10.9176 -9.9265 -9.9265 -9.8366 -9.8366 -9.7646 -9.7646 -9.7212 -9.7212 -2.4986 -2.4986 1.1335 1.1335 5.7202 5.7202 5.9543 5.9543 6.1087 6.1087 7.1363 7.1363 7.8876 7.8876 8.8718 8.8718 9.1317 9.1317 10.2017 10.2017 k =-0.3571 0.1523 0.0000 ( 3334 PWs) bands (ev): -28.1361 -28.1361 -28.1148 -28.1148 -10.9963 -10.9963 -10.9217 -10.9217 -9.9220 -9.9220 -9.8391 -9.8391 -9.7638 -9.7638 -9.7249 -9.7249 -2.4886 -2.4886 1.1187 1.1187 5.7275 5.7275 5.9543 5.9543 6.1680 6.1680 7.1059 7.1059 7.8303 7.8303 8.9241 8.9241 9.1542 9.1542 10.1513 10.1513 k =-0.3750 0.1599 0.0000 ( 3334 PWs) bands (ev): -28.1352 -28.1352 -28.1157 -28.1157 -10.9924 -10.9924 -10.9258 -10.9258 -9.9174 -9.9174 -9.8419 -9.8419 -9.7629 -9.7629 -9.7286 -9.7286 -2.4794 -2.4794 1.1053 1.1053 5.7341 5.7341 5.9526 5.9526 6.2289 6.2289 7.0757 7.0757 7.7725 7.7725 8.9790 8.9790 9.1813 9.1813 10.0598 10.0598 k =-0.3929 0.1675 0.0000 ( 3326 PWs) bands (ev): -28.1344 -28.1344 -28.1166 -28.1166 -10.9885 -10.9885 -10.9300 -10.9300 -9.9128 -9.9128 -9.8448 -9.8448 -9.7617 -9.7617 -9.7321 -9.7321 -2.4712 -2.4712 1.0933 1.0933 5.7401 5.7401 5.9505 5.9505 6.2892 6.2892 7.0464 7.0464 7.7160 7.7160 9.0364 9.0364 9.2107 9.2107 9.9689 9.9689 k =-0.4107 0.1751 0.0000 ( 3326 PWs) bands (ev): -28.1335 -28.1335 -28.1175 -28.1175 -10.9846 -10.9846 -10.9341 -10.9341 -9.9084 -9.9084 -9.8479 -9.8479 -9.7603 -9.7603 -9.7355 -9.7355 -2.4640 -2.4640 1.0830 1.0830 5.7454 5.7454 5.9483 5.9483 6.3473 6.3473 7.0183 7.0183 7.6626 7.6626 9.0962 9.0962 9.2401 9.2401 9.8802 9.8802 k =-0.4286 0.1827 0.0000 ( 3338 PWs) bands (ev): -28.1327 -28.1327 -28.1182 -28.1182 -10.9807 -10.9807 -10.9381 -10.9381 -9.9042 -9.9042 -9.8509 -9.8509 -9.7588 -9.7588 -9.7388 -9.7388 -2.4579 -2.4579 1.0744 1.0744 5.7497 5.7497 5.9464 5.9464 6.4015 6.4015 6.9921 6.9921 7.6144 7.6144 9.1580 9.1580 9.2674 9.2674 9.7945 9.7945 k =-0.4464 0.1903 0.0000 ( 3342 PWs) bands (ev): -28.1321 -28.1321 -28.1189 -28.1189 -10.9771 -10.9771 -10.9419 -10.9419 -9.9004 -9.9004 -9.8538 -9.8538 -9.7570 -9.7570 -9.7418 -9.7418 -2.4532 -2.4532 1.0675 1.0675 5.7532 5.7532 5.9447 5.9447 6.4495 6.4495 6.9685 6.9685 7.5736 7.5736 9.2210 9.2210 9.2910 9.2910 9.7126 9.7126 k =-0.4643 0.1979 0.0000 ( 3346 PWs) bands (ev): -28.1315 -28.1315 -28.1195 -28.1195 -10.9739 -10.9739 -10.9452 -10.9452 -9.8974 -9.8974 -9.8563 -9.8563 -9.7551 -9.7551 -9.7446 -9.7446 -2.4497 -2.4497 1.0626 1.0626 5.7557 5.7557 5.9435 5.9435 6.4881 6.4881 6.9489 6.9489 7.5424 7.5424 9.2824 9.2824 9.3100 9.3100 9.6365 9.6365 k =-0.4821 0.2055 0.0000 ( 3338 PWs) bands (ev): -28.1312 -28.1312 -28.1198 -28.1198 -10.9715 -10.9715 -10.9477 -10.9477 -9.8953 -9.8953 -9.8580 -9.8580 -9.7532 -9.7532 -9.7472 -9.7472 -2.4476 -2.4476 1.0597 1.0597 5.7573 5.7573 5.9428 5.9428 6.5136 6.5136 6.9355 6.9355 7.5227 7.5227 9.3167 9.3167 9.3432 9.3432 9.5720 9.5720 k =-0.5000 0.2132 0.0000 ( 3336 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9706 -10.9706 -10.9486 -10.9486 -9.8945 -9.8945 -9.8586 -9.8586 -9.7520 -9.7520 -9.7486 -9.7486 -2.4469 -2.4469 1.0587 1.0587 5.7578 5.7578 5.9426 5.9426 6.5226 6.5226 6.9307 6.9307 7.5160 7.5160 9.3216 9.3216 9.3699 9.3699 9.5416 9.5416 k =-0.5000 0.2132 0.0000 ( 3336 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9706 -10.9706 -10.9486 -10.9486 -9.8945 -9.8945 -9.8586 -9.8586 -9.7520 -9.7520 -9.7486 -9.7486 -2.4469 -2.4469 1.0587 1.0587 5.7578 5.7578 5.9426 5.9426 6.5226 6.5226 6.9307 6.9307 7.5160 7.5160 9.3216 9.3216 9.3699 9.3699 9.5416 9.5416 k =-0.4924 0.2309-0.0000 ( 3340 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9706 -10.9706 -10.9486 -10.9486 -9.8947 -9.8947 -9.8586 -9.8586 -9.7525 -9.7525 -9.7480 -9.7480 -2.4463 -2.4463 1.0598 1.0598 5.7512 5.7512 5.9417 5.9417 6.5221 6.5221 6.9322 6.9322 7.5215 7.5215 9.1997 9.1997 9.4888 9.4888 9.5448 9.5448 k =-0.4848 0.2487-0.0000 ( 3336 PWs) bands (ev): -28.1311 -28.1311 -28.1199 -28.1199 -10.9709 -10.9709 -10.9486 -10.9486 -9.8951 -9.8951 -9.8585 -9.8585 -9.7536 -9.7536 -9.7469 -9.7469 -2.4447 -2.4447 1.0630 1.0630 5.7319 5.7319 5.9393 5.9393 6.5206 6.5206 6.9367 6.9367 7.5377 7.5377 9.0560 9.0560 9.5462 9.5462 9.6314 9.6314 k =-0.4773 0.2665-0.0000 ( 3338 PWs) bands (ev): -28.1311 -28.1311 -28.1198 -28.1198 -10.9712 -10.9712 -10.9486 -10.9486 -9.8958 -9.8958 -9.8584 -9.8584 -9.7549 -9.7549 -9.7456 -9.7456 -2.4420 -2.4420 1.0685 1.0685 5.7005 5.7005 5.9353 5.9353 6.5181 6.5181 6.9442 6.9442 7.5638 7.5638 8.9119 8.9119 9.5559 9.5559 9.7650 9.7650 k =-0.4697 0.2842-0.0000 ( 3342 PWs) bands (ev): -28.1311 -28.1311 -28.1197 -28.1197 -10.9718 -10.9718 -10.9486 -10.9486 -9.8968 -9.8968 -9.8582 -9.8582 -9.7563 -9.7563 -9.7443 -9.7443 -2.4382 -2.4382 1.0760 1.0760 5.6584 5.6584 5.9297 5.9297 6.5146 6.5146 6.9546 6.9546 7.5988 7.5988 8.7686 8.7686 9.5685 9.5685 9.8921 9.8921 k =-0.4621 0.3020-0.0000 ( 3334 PWs) bands (ev): -28.1312 -28.1312 -28.1196 -28.1196 -10.9724 -10.9724 -10.9485 -10.9485 -9.8980 -9.8980 -9.8580 -9.8580 -9.7577 -9.7577 -9.7429 -9.7429 -2.4333 -2.4333 1.0857 1.0857 5.6069 5.6069 5.9226 5.9226 6.5102 6.5102 6.9678 6.9678 7.6413 7.6413 8.6268 8.6268 9.5844 9.5844 10.0086 10.0086 k =-0.4545 0.3198-0.0000 ( 3328 PWs) bands (ev): -28.1313 -28.1313 -28.1195 -28.1195 -10.9732 -10.9732 -10.9485 -10.9485 -9.8994 -9.8994 -9.8578 -9.8578 -9.7591 -9.7591 -9.7415 -9.7415 -2.4275 -2.4275 1.0974 1.0974 5.5476 5.5476 5.9142 5.9142 6.5049 6.5049 6.9837 6.9837 7.6900 7.6900 8.4870 8.4870 9.6036 9.6036 10.1075 10.1075 k =-0.4470 0.3376-0.0000 ( 3328 PWs) bands (ev): -28.1314 -28.1314 -28.1194 -28.1194 -10.9741 -10.9741 -10.9485 -10.9485 -9.9010 -9.9010 -9.8577 -9.8577 -9.7605 -9.7605 -9.7400 -9.7400 -2.4208 -2.4208 1.1111 1.1111 5.4818 5.4818 5.9045 5.9045 6.4989 6.4989 7.0022 7.0022 7.7437 7.7437 8.3498 8.3498 9.6261 9.6261 10.1193 10.1193 k =-0.4394 0.3553-0.0000 ( 3338 PWs) bands (ev): -28.1315 -28.1315 -28.1192 -28.1192 -10.9750 -10.9750 -10.9485 -10.9485 -9.9027 -9.9027 -9.8576 -9.8576 -9.7620 -9.7620 -9.7385 -9.7385 -2.4131 -2.4131 1.1267 1.1267 5.4109 5.4109 5.8937 5.8937 6.4921 6.4921 7.0228 7.0228 7.8012 7.8012 8.2159 8.2159 9.6518 9.6518 10.0753 10.0753 k =-0.4318 0.3731-0.0000 ( 3346 PWs) bands (ev): -28.1316 -28.1316 -28.1190 -28.1190 -10.9761 -10.9761 -10.9485 -10.9485 -9.9045 -9.9045 -9.8577 -9.8577 -9.7634 -9.7634 -9.7370 -9.7370 -2.4047 -2.4047 1.1442 1.1442 5.3360 5.3360 5.8818 5.8818 6.4847 6.4847 7.0452 7.0452 7.8614 7.8614 8.0862 8.0862 9.6804 9.6804 10.0268 10.0268 k =-0.4242 0.3909-0.0000 ( 3342 PWs) bands (ev): -28.1317 -28.1317 -28.1188 -28.1188 -10.9773 -10.9773 -10.9485 -10.9485 -9.9063 -9.9063 -9.8578 -9.8578 -9.7649 -9.7649 -9.7355 -9.7355 -2.3955 -2.3955 1.1634 1.1634 5.2582 5.2582 5.8691 5.8691 6.4768 6.4768 7.0686 7.0686 7.9176 7.9176 7.9674 7.9674 9.7116 9.7116 9.9767 9.9767 k =-0.4167 0.4086-0.0000 ( 3340 PWs) bands (ev): -28.1318 -28.1318 -28.1186 -28.1186 -10.9786 -10.9786 -10.9486 -10.9486 -9.9082 -9.9082 -9.8580 -9.8580 -9.7664 -9.7664 -9.7339 -9.7339 -2.3856 -2.3856 1.1843 1.1843 5.1782 5.1782 5.8557 5.8557 6.4685 6.4685 7.0919 7.0919 7.8369 7.8369 7.9936 7.9936 9.7448 9.7448 9.9265 9.9265 k =-0.4091 0.4264-0.0000 ( 3330 PWs) bands (ev): -28.1320 -28.1320 -28.1184 -28.1184 -10.9799 -10.9799 -10.9486 -10.9486 -9.9102 -9.9102 -9.8583 -9.8583 -9.7678 -9.7678 -9.7323 -9.7323 -2.3752 -2.3752 1.2067 1.2067 5.0970 5.0970 5.8417 5.8417 6.4599 6.4599 7.1126 7.1126 7.7269 7.7269 8.0588 8.0588 9.7773 9.7773 9.8793 9.8793 k =-0.4015 0.4442-0.0000 ( 3338 PWs) bands (ev): -28.1322 -28.1322 -28.1181 -28.1181 -10.9813 -10.9813 -10.9486 -10.9486 -9.9122 -9.9122 -9.8588 -9.8588 -9.7693 -9.7693 -9.7307 -9.7307 -2.3642 -2.3642 1.2305 1.2305 5.0152 5.0152 5.8274 5.8274 6.4511 6.4511 7.1267 7.1267 7.6289 7.6289 8.1260 8.1260 9.7902 9.7902 9.8546 9.8546 k =-0.3939 0.4620-0.0000 ( 3334 PWs) bands (ev): -28.1323 -28.1323 -28.1178 -28.1178 -10.9827 -10.9827 -10.9486 -10.9486 -9.9141 -9.9141 -9.8593 -9.8593 -9.7707 -9.7707 -9.7290 -9.7290 -2.3529 -2.3529 1.2556 1.2556 4.9332 4.9332 5.8128 5.8128 6.4423 6.4423 7.1264 7.1264 7.5513 7.5513 8.1943 8.1943 9.7559 9.7559 9.8800 9.8800 k =-0.3864 0.4797-0.0000 ( 3338 PWs) bands (ev): -28.1325 -28.1325 -28.1176 -28.1176 -10.9842 -10.9842 -10.9486 -10.9486 -9.9161 -9.9161 -9.8600 -9.8600 -9.7721 -9.7721 -9.7273 -9.7273 -2.3414 -2.3414 1.2818 1.2818 4.8518 4.8518 5.7982 5.7982 6.4334 6.4334 7.1020 7.1020 7.5040 7.5040 8.2633 8.2633 9.7092 9.7092 9.9211 9.9211 k =-0.3788 0.4975-0.0000 ( 3338 PWs) bands (ev): -28.1327 -28.1327 -28.1173 -28.1173 -10.9857 -10.9857 -10.9486 -10.9486 -9.9180 -9.9180 -9.8607 -9.8607 -9.7735 -9.7735 -9.7256 -9.7256 -2.3296 -2.3296 1.3090 1.3090 4.7713 4.7713 5.7836 5.7836 6.4247 6.4247 7.0500 7.0500 7.4907 7.4907 8.3331 8.3331 9.6616 9.6616 9.9664 9.9664 k =-0.3712 0.5153-0.0000 ( 3337 PWs) bands (ev): -28.1329 -28.1329 -28.1169 -28.1169 -10.9873 -10.9873 -10.9485 -10.9485 -9.9199 -9.9199 -9.8615 -9.8615 -9.7749 -9.7749 -9.7239 -9.7239 -2.3179 -2.3179 1.3369 1.3369 4.6921 4.6921 5.7693 5.7693 6.4161 6.4161 6.9779 6.9779 7.5039 7.5039 8.4034 8.4034 9.6150 9.6150 10.0141 10.0141 k =-0.3636 0.5331-0.0000 ( 3339 PWs) bands (ev): -28.1332 -28.1332 -28.1166 -28.1166 -10.9888 -10.9888 -10.9484 -10.9484 -9.9217 -9.9217 -9.8624 -9.8624 -9.7763 -9.7763 -9.7222 -9.7222 -2.3062 -2.3062 1.3655 1.3655 4.6147 4.6147 5.7553 5.7553 6.4079 6.4079 6.8957 6.8957 7.5338 7.5338 8.4743 8.4743 9.5701 9.5701 10.0633 10.0633 k =-0.3560 0.5508-0.0000 ( 3343 PWs) bands (ev): -28.1334 -28.1334 -28.1163 -28.1163 -10.9905 -10.9905 -10.9483 -10.9483 -9.9235 -9.9235 -9.8633 -9.8633 -9.7776 -9.7776 -9.7204 -9.7204 -2.2947 -2.2947 1.3945 1.3945 4.5394 4.5394 5.7418 5.7418 6.4000 6.4000 6.8101 6.8101 7.5735 7.5735 8.5458 8.5458 9.5272 9.5272 10.1133 10.1133 k =-0.3485 0.5686-0.0000 ( 3343 PWs) bands (ev): -28.1337 -28.1337 -28.1159 -28.1159 -10.9921 -10.9921 -10.9481 -10.9481 -9.9252 -9.9252 -9.8643 -9.8643 -9.7790 -9.7790 -9.7186 -9.7186 -2.2836 -2.2836 1.4236 1.4236 4.4665 4.4665 5.7289 5.7289 6.3924 6.3924 6.7248 6.7248 7.6195 7.6195 8.6178 8.6178 9.4865 9.4865 10.1620 10.1620 k =-0.3409 0.5864-0.0000 ( 3341 PWs) bands (ev): -28.1339 -28.1339 -28.1156 -28.1156 -10.9937 -10.9937 -10.9478 -10.9478 -9.9269 -9.9269 -9.8652 -9.8652 -9.7803 -9.7803 -9.7168 -9.7168 -2.2729 -2.2729 1.4528 1.4528 4.3963 4.3963 5.7168 5.7168 6.3852 6.3852 6.6420 6.6420 7.6698 7.6698 8.6903 8.6903 9.4484 9.4484 10.1995 10.1995 k =-0.3333 0.6041-0.0000 ( 3337 PWs) bands (ev): -28.1342 -28.1342 -28.1152 -28.1152 -10.9954 -10.9954 -10.9474 -10.9474 -9.9285 -9.9285 -9.8661 -9.8661 -9.7816 -9.7816 -9.7150 -9.7150 -2.2628 -2.2628 1.4817 1.4817 4.3291 4.3291 5.7055 5.7055 6.3780 6.3780 6.5631 6.5631 7.7230 7.7230 8.7634 8.7634 9.4128 9.4128 10.1982 10.1982 k =-0.3257 0.6219-0.0000 ( 3337 PWs) bands (ev): -28.1345 -28.1345 -28.1148 -28.1148 -10.9970 -10.9970 -10.9470 -10.9470 -9.9300 -9.9300 -9.8670 -9.8670 -9.7829 -9.7829 -9.7132 -9.7132 -2.2535 -2.2535 1.5101 1.5101 4.2652 4.2652 5.6952 5.6952 6.3702 6.3702 6.4898 6.4898 7.7783 7.7783 8.8371 8.8371 9.3801 9.3801 10.1769 10.1769 k =-0.3182 0.6397-0.0000 ( 3337 PWs) bands (ev): -28.1348 -28.1348 -28.1144 -28.1144 -10.9987 -10.9987 -10.9465 -10.9465 -9.9316 -9.9316 -9.8678 -9.8678 -9.7841 -9.7841 -9.7113 -9.7113 -2.2450 -2.2450 1.5378 1.5378 4.2048 4.2048 5.6859 5.6859 6.3580 6.3580 6.4263 6.4263 7.8350 7.8350 8.9114 8.9114 9.3502 9.3502 10.1518 10.1518 k =-0.3106 0.6575-0.0000 ( 3341 PWs) bands (ev): -28.1351 -28.1351 -28.1140 -28.1140 -11.0003 -11.0003 -10.9458 -10.9458 -9.9330 -9.9330 -9.8685 -9.8685 -9.7853 -9.7853 -9.7095 -9.7095 -2.2374 -2.2374 1.5646 1.5646 4.1481 4.1481 5.6777 5.6777 6.3271 6.3271 6.3875 6.3875 7.8924 7.8924 8.9861 8.9861 9.3233 9.3233 10.1255 10.1255 k =-0.3030 0.6752-0.0000 ( 3341 PWs) bands (ev): -28.1354 -28.1354 -28.1137 -28.1137 -11.0020 -11.0020 -10.9451 -10.9451 -9.9345 -9.9345 -9.8690 -9.8690 -9.7865 -9.7865 -9.7077 -9.7077 -2.2310 -2.2310 1.5901 1.5901 4.0953 4.0953 5.6706 5.6706 6.2767 6.2767 6.3745 6.3745 7.9499 7.9499 9.0613 9.0613 9.2997 9.2997 10.0990 10.0990 k =-0.2954 0.6930-0.0000 ( 3343 PWs) bands (ev): -28.1358 -28.1358 -28.1133 -28.1133 -11.0036 -11.0036 -10.9442 -10.9442 -9.9359 -9.9359 -9.8694 -9.8694 -9.7877 -9.7877 -9.7059 -9.7059 -2.2257 -2.2257 1.6142 1.6142 4.0467 4.0467 5.6648 5.6648 6.2254 6.2254 6.3690 6.3690 8.0069 8.0069 9.1366 9.1366 9.2795 9.2795 10.0727 10.0727 k =-0.2954 0.6930-0.0000 ( 3343 PWs) bands (ev): -28.1358 -28.1358 -28.1133 -28.1133 -11.0036 -11.0036 -10.9442 -10.9442 -9.9359 -9.9359 -9.8694 -9.8694 -9.7877 -9.7877 -9.7059 -9.7059 -2.2257 -2.2257 1.6142 1.6142 4.0467 4.0467 5.6648 5.6648 6.2254 6.2254 6.3690 6.3690 8.0069 8.0069 9.1366 9.1366 9.2795 9.2795 10.0727 10.0727 k =-0.2954 0.6930 0.0195 ( 3345 PWs) bands (ev): -28.1358 -28.1358 -28.1133 -28.1133 -11.0036 -11.0036 -10.9443 -10.9443 -9.9360 -9.9360 -9.8694 -9.8694 -9.7878 -9.7878 -9.7060 -9.7060 -2.2245 -2.2245 1.6125 1.6125 4.0484 4.0484 5.6539 5.6539 6.2304 6.2304 6.3690 6.3690 8.0164 8.0164 9.0998 9.0998 9.3161 9.3161 10.0620 10.0620 k =-0.2954 0.6930 0.0389 ( 3343 PWs) bands (ev): -28.1357 -28.1357 -28.1133 -28.1133 -11.0036 -11.0036 -10.9445 -10.9445 -9.9363 -9.9363 -9.8693 -9.8693 -9.7881 -9.7881 -9.7064 -9.7064 -2.2211 -2.2211 1.6075 1.6075 4.0532 4.0532 5.6227 5.6227 6.2440 6.2440 6.3688 6.3688 8.0443 8.0443 9.0306 9.0306 9.3847 9.3847 10.0323 10.0323 k =-0.2954 0.6930 0.0584 ( 3341 PWs) bands (ev): -28.1356 -28.1356 -28.1132 -28.1132 -11.0037 -11.0037 -10.9448 -10.9448 -9.9367 -9.9367 -9.8690 -9.8690 -9.7886 -9.7886 -9.7070 -9.7070 -2.2154 -2.2154 1.5990 1.5990 4.0612 4.0612 5.5751 5.5751 6.2631 6.2631 6.3690 6.3690 8.0895 8.0895 8.9549 8.9549 9.4594 9.4594 9.9888 9.9888 k =-0.2954 0.6930 0.0778 ( 3352 PWs) bands (ev): -28.1354 -28.1354 -28.1132 -28.1132 -11.0038 -11.0038 -10.9452 -10.9452 -9.9373 -9.9373 -9.8688 -9.8688 -9.7893 -9.7893 -9.7079 -9.7079 -2.2075 -2.2075 1.5871 1.5871 4.0725 4.0725 5.5155 5.5155 6.2840 6.2840 6.3701 6.3701 8.1497 8.1497 8.8778 8.8778 9.5349 9.5349 9.9367 9.9367 k =-0.2954 0.6930 0.0973 ( 3349 PWs) bands (ev): -28.1353 -28.1353 -28.1132 -28.1132 -11.0039 -11.0039 -10.9458 -10.9458 -9.9380 -9.9380 -9.8684 -9.8684 -9.7902 -9.7902 -9.7089 -9.7089 -2.1972 -2.1972 1.5716 1.5716 4.0868 4.0868 5.4477 5.4477 6.3029 6.3029 6.3739 6.3739 8.2226 8.2226 8.8010 8.8010 9.6090 9.6090 9.8805 9.8805 k =-0.2954 0.6930 0.1168 ( 3343 PWs) bands (ev): -28.1350 -28.1350 -28.1132 -28.1132 -11.0040 -11.0040 -10.9465 -10.9465 -9.9389 -9.9389 -9.8681 -9.8681 -9.7913 -9.7913 -9.7102 -9.7102 -2.1847 -2.1847 1.5525 1.5525 4.1043 4.1043 5.3748 5.3748 6.3155 6.3155 6.3836 6.3836 8.3051 8.3051 8.7256 8.7256 9.6796 9.6796 9.8242 9.8242 k =-0.2954 0.6930 0.1362 ( 3346 PWs) bands (ev): -28.1348 -28.1348 -28.1132 -28.1132 -11.0042 -11.0042 -10.9473 -10.9473 -9.9399 -9.9399 -9.8677 -9.8677 -9.7925 -9.7925 -9.7117 -9.7117 -2.1699 -2.1699 1.5296 1.5296 4.1248 4.1248 5.2994 5.2994 6.3198 6.3198 6.4002 6.4002 8.3939 8.3939 8.6523 8.6523 9.7314 9.7314 9.7847 9.7847 k =-0.2954 0.6930 0.1557 ( 3346 PWs) bands (ev): -28.1345 -28.1345 -28.1132 -28.1132 -11.0044 -11.0044 -10.9482 -10.9482 -9.9410 -9.9410 -9.8673 -9.8673 -9.7939 -9.7939 -9.7134 -9.7134 -2.1528 -2.1528 1.5028 1.5028 4.1482 4.1482 5.2234 5.2234 6.3177 6.3177 6.4215 6.4215 8.4843 8.4843 8.5826 8.5826 9.7013 9.7013 9.8264 9.8264 k =-0.2954 0.6930 0.1751 ( 3348 PWs) bands (ev): -28.1341 -28.1341 -28.1131 -28.1131 -11.0046 -11.0046 -10.9493 -10.9493 -9.9422 -9.9422 -9.8669 -9.8669 -9.7953 -9.7953 -9.7152 -9.7152 -2.1335 -2.1335 1.4721 1.4721 4.1745 4.1745 5.1483 5.1483 6.3113 6.3113 6.4450 6.4450 8.5075 8.5075 8.5818 8.5818 9.6556 9.6556 9.8843 9.8843 k =-0.2954 0.6930 0.1946 ( 3341 PWs) bands (ev): -28.1338 -28.1338 -28.1131 -28.1131 -11.0048 -11.0048 -10.9504 -10.9504 -9.9434 -9.9434 -9.8666 -9.8666 -9.7969 -9.7969 -9.7172 -9.7172 -2.1119 -2.1119 1.4372 1.4372 4.2036 4.2036 5.0753 5.0753 6.3018 6.3018 6.4692 6.4692 8.4448 8.4448 8.6647 8.6647 9.6171 9.6171 9.9377 9.9377 k =-0.2954 0.6930 0.2140 ( 3339 PWs) bands (ev): -28.1333 -28.1333 -28.1131 -28.1131 -11.0050 -11.0050 -10.9517 -10.9517 -9.9447 -9.9447 -9.8663 -9.8663 -9.7986 -9.7986 -9.7193 -9.7193 -2.0880 -2.0880 1.3983 1.3983 4.2353 4.2353 5.0056 5.0056 6.2896 6.2896 6.4934 6.4934 8.3837 8.3837 8.7386 8.7386 9.5913 9.5913 9.9841 9.9841 k =-0.2954 0.6930 0.2335 ( 3347 PWs) bands (ev): -28.1329 -28.1329 -28.1131 -28.1131 -11.0053 -11.0053 -10.9531 -10.9531 -9.9461 -9.9461 -9.8661 -9.8661 -9.8003 -9.8003 -9.7215 -9.7215 -2.0619 -2.0619 1.3551 1.3551 4.2696 4.2696 4.9397 4.9397 6.2747 6.2747 6.5173 6.5173 8.3264 8.3264 8.7961 8.7961 9.5824 9.5824 10.0224 10.0224 k =-0.2954 0.6930 0.2530 ( 3345 PWs) bands (ev): -28.1324 -28.1324 -28.1131 -28.1131 -11.0056 -11.0056 -10.9546 -10.9546 -9.9475 -9.9475 -9.8661 -9.8661 -9.8021 -9.8021 -9.7237 -9.7237 -2.0335 -2.0335 1.3078 1.3078 4.3063 4.3063 4.8785 4.8785 6.2571 6.2571 6.5404 6.5404 8.2735 8.2735 8.8327 8.8327 9.5937 9.5937 10.0526 10.0526 k =-0.2954 0.6930 0.2724 ( 3343 PWs) bands (ev): -28.1319 -28.1319 -28.1131 -28.1131 -11.0059 -11.0059 -10.9562 -10.9562 -9.9489 -9.9489 -9.8662 -9.8662 -9.8038 -9.8038 -9.7260 -9.7260 -2.0028 -2.0028 1.2563 1.2563 4.3452 4.3452 4.8223 4.8223 6.2368 6.2368 6.5623 6.5623 8.2254 8.2254 8.8475 8.8475 9.6248 9.6248 10.0752 10.0752 k =-0.2954 0.6930 0.2919 ( 3343 PWs) bands (ev): -28.1314 -28.1314 -28.1131 -28.1131 -11.0062 -11.0062 -10.9578 -10.9578 -9.9503 -9.9503 -9.8665 -9.8665 -9.8055 -9.8055 -9.7283 -9.7283 -1.9700 -1.9700 1.2007 1.2007 4.3862 4.3862 4.7715 4.7715 6.2138 6.2138 6.5827 6.5827 8.1822 8.1822 8.8436 8.8436 9.6716 9.6716 10.0914 10.0914 k =-0.2954 0.6930 0.3113 ( 3345 PWs) bands (ev): -28.1309 -28.1309 -28.1131 -28.1131 -11.0065 -11.0065 -10.9596 -10.9596 -9.9517 -9.9517 -9.8670 -9.8670 -9.8071 -9.8071 -9.7306 -9.7306 -1.9348 -1.9348 1.1412 1.1412 4.4290 4.4290 4.7263 4.7263 6.1881 6.1881 6.6012 6.6012 8.1443 8.1443 8.8261 8.8261 9.7283 9.7283 10.1025 10.1025 k =-0.2954 0.6930 0.3308 ( 3345 PWs) bands (ev): -28.1303 -28.1303 -28.1131 -28.1131 -11.0068 -11.0068 -10.9615 -10.9615 -9.9530 -9.9530 -9.8678 -9.8678 -9.8086 -9.8086 -9.7328 -9.7328 -1.8975 -1.8975 1.0779 1.0779 4.4734 4.4734 4.6868 4.6868 6.1598 6.1598 6.6172 6.6172 8.1116 8.1116 8.7999 8.7999 9.7894 9.7894 10.1098 10.1098 k =-0.2954 0.6930 0.3503 ( 3342 PWs) bands (ev): -28.1297 -28.1297 -28.1132 -28.1132 -11.0070 -11.0070 -10.9634 -10.9634 -9.9543 -9.9543 -9.8688 -9.8688 -9.8100 -9.8100 -9.7350 -9.7350 -1.8579 -1.8579 1.0111 1.0111 4.5191 4.5191 4.6532 4.6532 6.1291 6.1291 6.6303 6.6303 8.0843 8.0843 8.7689 8.7689 9.8509 9.8509 10.1147 10.1147 k =-0.2954 0.6930 0.3697 ( 3354 PWs) bands (ev): -28.1291 -28.1291 -28.1132 -28.1132 -11.0073 -11.0073 -10.9654 -10.9654 -9.9556 -9.9556 -9.8700 -9.8700 -9.8112 -9.8112 -9.7372 -9.7372 -1.8162 -1.8162 0.9410 0.9410 4.5650 4.5650 4.6261 4.6261 6.0963 6.0963 6.6400 6.6400 8.0622 8.0622 8.7358 8.7358 9.9103 9.9103 10.1180 10.1180 k =-0.2954 0.6930 0.3892 ( 3348 PWs) bands (ev): -28.1285 -28.1285 -28.1133 -28.1133 -11.0076 -11.0076 -10.9674 -10.9674 -9.9567 -9.9567 -9.8714 -9.8714 -9.8123 -9.8123 -9.7393 -9.7393 -1.7722 -1.7722 0.8678 0.8678 4.5951 4.5951 4.6212 4.6212 6.0618 6.0618 6.6460 6.6460 8.0452 8.0452 8.7023 8.7023 9.9662 9.9662 10.1207 10.1207 k =-0.2954 0.6930 0.4086 ( 3350 PWs) bands (ev): -28.1279 -28.1279 -28.1133 -28.1133 -11.0078 -11.0078 -10.9695 -10.9695 -9.9578 -9.9578 -9.8731 -9.8731 -9.8133 -9.8133 -9.7413 -9.7413 -1.7261 -1.7261 0.7920 0.7920 4.5824 4.5824 4.6648 4.6648 6.0261 6.0261 6.6477 6.6477 8.0332 8.0332 8.6696 8.6696 10.0181 10.0181 10.1236 10.1236 k =-0.2954 0.6930 0.4281 ( 3352 PWs) bands (ev): -28.1273 -28.1273 -28.1134 -28.1134 -11.0081 -11.0081 -10.9716 -10.9716 -9.9588 -9.9588 -9.8750 -9.8750 -9.8141 -9.8141 -9.7431 -9.7431 -1.6777 -1.6777 0.7137 0.7137 4.5708 4.5708 4.7124 4.7124 5.9899 5.9899 6.6449 6.6449 8.0257 8.0257 8.6383 8.6383 10.0655 10.0655 10.1274 10.1274 k =-0.2954 0.6930 0.4475 ( 3352 PWs) bands (ev): -28.1266 -28.1266 -28.1135 -28.1135 -11.0082 -11.0082 -10.9737 -10.9737 -9.9597 -9.9597 -9.8771 -9.8771 -9.8148 -9.8148 -9.7449 -9.7449 -1.6273 -1.6273 0.6334 0.6334 4.5638 4.5638 4.7597 4.7597 5.9538 5.9538 6.6374 6.6374 8.0226 8.0226 8.6089 8.6089 10.1069 10.1069 10.1348 10.1348 k =-0.2954 0.6930 0.4670 ( 3354 PWs) bands (ev): -28.1260 -28.1260 -28.1137 -28.1137 -11.0084 -11.0084 -10.9759 -10.9759 -9.9605 -9.9605 -9.8792 -9.8792 -9.8153 -9.8153 -9.7465 -9.7465 -1.5746 -1.5746 0.5513 0.5513 4.5613 4.5613 4.8058 4.8058 5.9187 5.9187 6.6249 6.6249 8.0235 8.0235 8.5814 8.5814 10.1292 10.1292 10.1598 10.1598 k =-0.2954 0.6930 0.4865 ( 3350 PWs) bands (ev): -28.1253 -28.1253 -28.1138 -28.1138 -11.0085 -11.0085 -10.9780 -10.9780 -9.9612 -9.9612 -9.8815 -9.8815 -9.8158 -9.8158 -9.7480 -9.7480 -1.5199 -1.5199 0.4678 0.4678 4.5631 4.5631 4.8496 4.8496 5.8858 5.8858 6.6075 6.6075 8.0280 8.0280 8.5558 8.5558 10.1385 10.1385 10.1971 10.1971 k =-0.2954 0.6930 0.5059 ( 3342 PWs) bands (ev): -28.1247 -28.1247 -28.1140 -28.1140 -11.0085 -11.0085 -10.9802 -10.9802 -9.9618 -9.9618 -9.8839 -9.8839 -9.8162 -9.8162 -9.7494 -9.7494 -1.4631 -1.4631 0.3832 0.3832 4.5691 4.5691 4.8902 4.8902 5.8562 5.8562 6.5853 6.5853 8.0358 8.0358 8.5319 8.5319 10.1477 10.1477 10.2345 10.2345 k =-0.2954 0.6930 0.5254 ( 3343 PWs) bands (ev): -28.1241 -28.1241 -28.1142 -28.1142 -11.0084 -11.0084 -10.9823 -10.9823 -9.9622 -9.9622 -9.8862 -9.8862 -9.8165 -9.8165 -9.7507 -9.7507 -1.4042 -1.4042 0.2977 0.2977 4.5789 4.5789 4.9263 4.9263 5.8314 5.8314 6.5584 6.5584 8.0466 8.0466 8.5093 8.5093 10.1584 10.1584 10.2708 10.2708 k =-0.2954 0.6930 0.5448 ( 3347 PWs) bands (ev): -28.1234 -28.1234 -28.1144 -28.1144 -11.0083 -11.0083 -10.9844 -10.9844 -9.9626 -9.9626 -9.8885 -9.8885 -9.8167 -9.8167 -9.7518 -9.7518 -1.3432 -1.3432 0.2117 0.2117 4.5923 4.5923 4.9565 4.9565 5.8128 5.8128 6.5271 6.5271 8.0600 8.0600 8.4878 8.4878 10.1711 10.1711 10.3058 10.3058 k =-0.2954 0.6930 0.5643 ( 3347 PWs) bands (ev): -28.1228 -28.1228 -28.1146 -28.1146 -11.0081 -11.0081 -10.9865 -10.9865 -9.9629 -9.9629 -9.8908 -9.8908 -9.8169 -9.8169 -9.7528 -9.7528 -1.2803 -1.2803 0.1254 0.1254 4.6089 4.6089 4.9794 4.9794 5.8020 5.8020 6.4917 6.4917 8.0757 8.0757 8.4670 8.4670 10.1858 10.1858 10.3390 10.3390 k =-0.2954 0.6930 0.5838 ( 3349 PWs) bands (ev): -28.1222 -28.1222 -28.1149 -28.1149 -11.0078 -11.0078 -10.9885 -10.9885 -9.9631 -9.9631 -9.8929 -9.8929 -9.8171 -9.8171 -9.7537 -9.7537 -1.2154 -1.2154 0.0390 0.0390 4.6286 4.6286 4.9940 4.9940 5.8000 5.8000 6.4526 6.4526 8.0933 8.0933 8.4465 8.4465 10.2026 10.2026 10.3695 10.3695 k =-0.2954 0.6930 0.6032 ( 3349 PWs) bands (ev): -28.1216 -28.1216 -28.1151 -28.1151 -11.0074 -11.0074 -10.9904 -10.9904 -9.9633 -9.9633 -9.8949 -9.8949 -9.8173 -9.8173 -9.7544 -9.7544 -1.1485 -1.1485 -0.0473 -0.0473 4.6509 4.6509 4.9998 4.9998 5.8077 5.8077 6.4103 6.4103 8.1125 8.1125 8.4260 8.4260 10.2214 10.2214 10.3960 10.3960 k =-0.2954 0.6930 0.6227 ( 3345 PWs) bands (ev): -28.1210 -28.1210 -28.1154 -28.1154 -11.0070 -11.0070 -10.9922 -10.9922 -9.9634 -9.9634 -9.8967 -9.8967 -9.8174 -9.8174 -9.7550 -9.7550 -1.0798 -1.0798 -0.1331 -0.1331 4.6757 4.6757 4.9968 4.9968 5.8249 5.8249 6.3652 6.3652 8.1331 8.1331 8.4054 8.4054 10.2422 10.2422 10.4170 10.4170 k =-0.2954 0.6930 0.6421 ( 3341 PWs) bands (ev): -28.1204 -28.1204 -28.1158 -28.1158 -11.0064 -11.0064 -10.9940 -10.9940 -9.9634 -9.9634 -9.8983 -9.8983 -9.8175 -9.8175 -9.7556 -9.7556 -1.0092 -1.0092 -0.2184 -0.2184 4.7025 4.7025 4.9860 4.9860 5.8507 5.8507 6.3177 6.3177 8.1548 8.1548 8.3844 8.3844 10.2647 10.2647 10.4311 10.4311 k =-0.2954 0.6930 0.6616 ( 3345 PWs) bands (ev): -28.1198 -28.1198 -28.1161 -28.1161 -11.0057 -11.0057 -10.9957 -10.9957 -9.9634 -9.9634 -9.8996 -9.8996 -9.8176 -9.8176 -9.7560 -9.7560 -0.9368 -0.9368 -0.3029 -0.3029 4.7310 4.7310 4.9685 4.9685 5.8840 5.8840 6.2685 6.2685 8.1772 8.1772 8.3629 8.3629 10.2885 10.2885 10.4373 10.4373 k =-0.2954 0.6930 0.6810 ( 3351 PWs) bands (ev): -28.1193 -28.1193 -28.1165 -28.1165 -11.0049 -11.0049 -10.9973 -10.9973 -9.9634 -9.9634 -9.9007 -9.9007 -9.8177 -9.8177 -9.7563 -9.7563 -0.8628 -0.8628 -0.3866 -0.3866 4.7608 4.7608 4.9461 4.9461 5.9233 5.9233 6.2179 6.2179 8.2002 8.2002 8.3410 8.3410 10.3131 10.3131 10.4353 10.4353 k =-0.2954 0.6930 0.7005 ( 3356 PWs) bands (ev): -28.1188 -28.1188 -28.1169 -28.1169 -11.0040 -11.0040 -10.9987 -10.9987 -9.9634 -9.9634 -9.9015 -9.9015 -9.8177 -9.8177 -9.7565 -9.7565 -0.7871 -0.7871 -0.4692 -0.4692 4.7912 4.7912 4.9202 4.9202 5.9673 5.9673 6.1666 6.1666 8.2234 8.2234 8.3187 8.3187 10.3378 10.3378 10.4263 10.4263 k =-0.2954 0.6930 0.7200 ( 3358 PWs) bands (ev): -28.1183 -28.1183 -28.1174 -28.1174 -11.0032 -11.0032 -10.9999 -10.9999 -9.9634 -9.9634 -9.9020 -9.9020 -9.8178 -9.8178 -9.7567 -9.7567 -0.7099 -0.7099 -0.5505 -0.5505 4.8206 4.8206 4.8932 4.8932 6.0145 6.0145 6.1152 6.1152 8.2462 8.2462 8.2965 8.2965 10.3608 10.3608 10.4123 10.4123 k =-0.2954 0.6930 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0027 -11.0027 -11.0005 -11.0005 -9.9634 -9.9634 -9.9022 -9.9022 -9.8178 -9.8178 -9.7567 -9.7567 -0.6367 -0.6367 -0.6251 -0.6251 4.8389 4.8389 4.8756 4.8756 6.0605 6.0605 6.0679 6.0679 8.2625 8.2625 8.2804 8.2804 10.3742 10.3742 10.4018 10.4018 k =-0.2954 0.6930 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0027 -11.0027 -11.0005 -11.0005 -9.9634 -9.9634 -9.9022 -9.9022 -9.8178 -9.8178 -9.7567 -9.7567 -0.6367 -0.6367 -0.6251 -0.6251 4.8389 4.8389 4.8756 4.8756 6.0605 6.0605 6.0679 6.0679 8.2625 8.2625 8.2804 8.2804 10.3742 10.3742 10.4018 10.4018 k =-0.3030 0.6752 0.7394 ( 3360 PWs) bands (ev): -28.1178 -28.1178 -28.1178 -28.1178 -11.0027 -11.0027 -11.0008 -11.0008 -9.9640 -9.9640 -9.9042 -9.9042 -9.8151 -9.8151 -9.7550 -9.7550 -0.6322 -0.6322 -0.6203 -0.6203 4.8076 4.8076 4.8436 4.8436 6.0772 6.0772 6.0842 6.0842 8.2873 8.2873 8.3039 8.3039 10.3036 10.3036 10.3294 10.3294 k =-0.3106 0.6575 0.7394 ( 3360 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -11.0028 -11.0028 -11.0011 -11.0011 -9.9645 -9.9645 -9.9062 -9.9062 -9.8123 -9.8123 -9.7534 -9.7534 -0.6277 -0.6277 -0.6154 -0.6154 4.7764 4.7764 4.8116 4.8116 6.0943 6.0943 6.1009 6.1009 8.3147 8.3147 8.3302 8.3302 10.2259 10.2259 10.2500 10.2500 k =-0.3182 0.6397 0.7394 ( 3352 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -11.0028 -11.0028 -11.0013 -11.0013 -9.9650 -9.9650 -9.9082 -9.9082 -9.8095 -9.8095 -9.7518 -9.7518 -0.6232 -0.6232 -0.6105 -0.6105 4.7454 4.7454 4.7797 4.7797 6.1116 6.1116 6.1179 6.1179 8.3449 8.3449 8.3593 8.3593 10.1437 10.1437 10.1665 10.1665 k =-0.3257 0.6219 0.7394 ( 3354 PWs) bands (ev): -28.1179 -28.1179 -28.1179 -28.1179 -11.0028 -11.0028 -11.0015 -11.0015 -9.9653 -9.9653 -9.9102 -9.9102 -9.8066 -9.8066 -9.7503 -9.7503 -0.6186 -0.6186 -0.6057 -0.6057 4.7148 4.7148 4.7482 4.7482 6.1292 6.1292 6.1350 6.1350 8.3781 8.3781 8.3916 8.3916 10.0588 10.0588 10.0804 10.0804 k =-0.3333 0.6041 0.7394 ( 3358 PWs) bands (ev): -28.1180 -28.1180 -28.1180 -28.1180 -11.0028 -11.0028 -11.0017 -11.0017 -9.9655 -9.9655 -9.9121 -9.9121 -9.8037 -9.8037 -9.7489 -9.7489 -0.6141 -0.6141 -0.6009 -0.6009 4.6848 4.6848 4.7172 4.7172 6.1470 6.1470 6.1523 6.1523 8.4143 8.4143 8.4272 8.4272 9.9726 9.9726 9.9929 9.9929 k =-0.3409 0.5864 0.7394 ( 3358 PWs) bands (ev): -28.1180 -28.1180 -28.1180 -28.1180 -11.0028 -11.0028 -11.0019 -11.0019 -9.9656 -9.9656 -9.9140 -9.9140 -9.8007 -9.8007 -9.7475 -9.7475 -0.6095 -0.6095 -0.5963 -0.5963 4.6555 4.6555 4.6869 4.6869 6.1648 6.1648 6.1696 6.1696 8.4539 8.4539 8.4662 8.4662 9.8858 9.8858 9.9050 9.9050 k =-0.3485 0.5686 0.7394 ( 3356 PWs) bands (ev): -28.1181 -28.1181 -28.1181 -28.1181 -11.0027 -11.0027 -11.0020 -11.0020 -9.9655 -9.9655 -9.9160 -9.9160 -9.7977 -9.7977 -9.7462 -9.7462 -0.6051 -0.6051 -0.5918 -0.5918 4.6271 4.6271 4.6574 4.6574 6.1827 6.1827 6.1870 6.1870 8.4968 8.4968 8.5088 8.5088 9.7992 9.7992 9.8172 9.8172 k =-0.3560 0.5508 0.7394 ( 3352 PWs) bands (ev): -28.1181 -28.1181 -28.1181 -28.1181 -11.0027 -11.0027 -11.0022 -11.0022 -9.9654 -9.9654 -9.9178 -9.9178 -9.7946 -9.7946 -9.7450 -9.7450 -0.6007 -0.6007 -0.5874 -0.5874 4.5996 4.5996 4.6288 4.6288 6.2007 6.2007 6.2044 6.2044 8.5431 8.5431 8.5549 8.5549 9.7133 9.7133 9.7302 9.7302 k =-0.3636 0.5331 0.7394 ( 3356 PWs) bands (ev): -28.1181 -28.1181 -28.1181 -28.1181 -11.0027 -11.0027 -11.0023 -11.0023 -9.9652 -9.9652 -9.9197 -9.9197 -9.7916 -9.7916 -9.7439 -9.7439 -0.5964 -0.5964 -0.5832 -0.5832 4.5732 4.5732 4.6013 4.6013 6.2186 6.2186 6.2219 6.2219 8.5928 8.5928 8.6046 8.6046 9.6286 9.6286 9.6442 9.6442 k =-0.3712 0.5153 0.7394 ( 3344 PWs) bands (ev): -28.1182 -28.1182 -28.1182 -28.1182 -11.0026 -11.0026 -11.0024 -11.0024 -9.9649 -9.9649 -9.9215 -9.9215 -9.7885 -9.7885 -9.7429 -9.7429 -0.5922 -0.5922 -0.5792 -0.5792 4.5480 4.5480 4.5748 4.5748 6.2365 6.2365 6.2393 6.2393 8.6459 8.6459 8.6581 8.6581 9.5456 9.5456 9.5598 9.5598 k =-0.3788 0.4975 0.7394 ( 3336 PWs) bands (ev): -28.1182 -28.1182 -28.1182 -28.1182 -11.0026 -11.0026 -11.0025 -11.0025 -9.9644 -9.9644 -9.9233 -9.9233 -9.7855 -9.7855 -9.7420 -9.7420 -0.5882 -0.5882 -0.5754 -0.5754 4.5240 4.5240 4.5497 4.5497 6.2543 6.2543 6.2566 6.2566 8.7024 8.7024 8.7151 8.7151 9.4648 9.4648 9.4774 9.4774 k =-0.3864 0.4797 0.7394 ( 3348 PWs) bands (ev): -28.1183 -28.1183 -28.1183 -28.1183 -11.0026 -11.0026 -11.0026 -11.0026 -9.9639 -9.9639 -9.9251 -9.9251 -9.7825 -9.7825 -9.7412 -9.7412 -0.5843 -0.5843 -0.5718 -0.5718 4.5014 4.5014 4.5257 4.5257 6.2720 6.2720 6.2739 6.2739 8.7620 8.7620 8.7757 8.7757 9.3867 9.3867 9.3974 9.3974 k =-0.3939 0.4620 0.7394 ( 3344 PWs) bands (ev): -28.1183 -28.1183 -28.1183 -28.1183 -11.0026 -11.0026 -11.0026 -11.0026 -9.9634 -9.9634 -9.9268 -9.9268 -9.7795 -9.7795 -9.7405 -9.7405 -0.5806 -0.5806 -0.5685 -0.5685 4.4802 4.4802 4.5032 4.5032 6.2896 6.2896 6.2910 6.2910 8.8243 8.8243 8.8398 8.8398 9.3123 9.3123 9.3202 9.3202 k =-0.4015 0.4442 0.7394 ( 3348 PWs) bands (ev): -28.1184 -28.1184 -28.1184 -28.1184 -11.0027 -11.0027 -11.0025 -11.0025 -9.9627 -9.9627 -9.9285 -9.9285 -9.7765 -9.7765 -9.7399 -9.7399 -0.5771 -0.5771 -0.5655 -0.5655 4.4604 4.4604 4.4820 4.4820 6.3068 6.3068 6.3079 6.3079 8.8882 8.8882 8.9068 8.9068 9.2428 9.2428 9.2467 9.2467 k =-0.4091 0.4264 0.7394 ( 3360 PWs) bands (ev): -28.1184 -28.1184 -28.1184 -28.1184 -11.0027 -11.0027 -11.0025 -11.0025 -9.9619 -9.9619 -9.9302 -9.9302 -9.7736 -9.7736 -9.7395 -9.7395 -0.5737 -0.5737 -0.5627 -0.5627 4.4421 4.4421 4.4623 4.4623 6.3238 6.3238 6.3244 6.3244 8.9500 8.9500 8.9754 8.9754 9.1786 9.1786 9.1823 9.1823 k =-0.4167 0.4086 0.7394 ( 3360 PWs) bands (ev): -28.1185 -28.1185 -28.1185 -28.1185 -11.0028 -11.0028 -11.0025 -11.0025 -9.9611 -9.9611 -9.9319 -9.9319 -9.7707 -9.7707 -9.7392 -9.7392 -0.5706 -0.5706 -0.5602 -0.5602 4.4253 4.4253 4.4440 4.4440 6.3403 6.3403 6.3406 6.3406 8.9946 8.9946 9.0348 9.0348 9.1269 9.1269 9.1462 9.1462 k =-0.4242 0.3909 0.7394 ( 3360 PWs) bands (ev): -28.1185 -28.1185 -28.1185 -28.1185 -11.0028 -11.0028 -11.0025 -11.0025 -9.9602 -9.9602 -9.9335 -9.9335 -9.7679 -9.7679 -9.7390 -9.7390 -0.5677 -0.5677 -0.5580 -0.5580 4.4100 4.4100 4.4272 4.4272 6.3563 6.3563 6.3563 6.3563 8.9884 8.9884 9.0235 9.0235 9.1535 9.1535 9.1686 9.1686 k =-0.4318 0.3731 0.7394 ( 3356 PWs) bands (ev): -28.1185 -28.1185 -28.1185 -28.1185 -11.0028 -11.0028 -11.0025 -11.0025 -9.9593 -9.9593 -9.9351 -9.9351 -9.7652 -9.7652 -9.7390 -9.7390 -0.5650 -0.5650 -0.5561 -0.5561 4.3963 4.3963 4.4119 4.4119 6.3713 6.3713 6.3715 6.3715 8.9475 8.9475 8.9717 8.9717 9.2285 9.2285 9.2334 9.2334 k =-0.4394 0.3553 0.7394 ( 3366 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -11.0028 -11.0028 -11.0025 -11.0025 -9.9583 -9.9583 -9.9367 -9.9367 -9.7626 -9.7626 -9.7392 -9.7392 -0.5625 -0.5625 -0.5544 -0.5544 4.3842 4.3842 4.3982 4.3982 6.3855 6.3855 6.3859 6.3859 8.9007 8.9007 8.9193 8.9193 9.3122 9.3122 9.3124 9.3124 k =-0.4470 0.3376 0.7394 ( 3370 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -11.0028 -11.0028 -11.0025 -11.0025 -9.9572 -9.9572 -9.9383 -9.9383 -9.7601 -9.7601 -9.7395 -9.7395 -0.5602 -0.5602 -0.5530 -0.5530 4.3736 4.3736 4.3859 4.3859 6.3987 6.3987 6.3992 6.3992 8.8558 8.8558 8.8708 8.8708 9.3978 9.3978 9.4003 9.4003 k =-0.4545 0.3198 0.7394 ( 3370 PWs) bands (ev): -28.1186 -28.1186 -28.1186 -28.1186 -11.0028 -11.0028 -11.0025 -11.0025 -9.9561 -9.9561 -9.9398 -9.9398 -9.7577 -9.7577 -9.7399 -9.7399 -0.5582 -0.5582 -0.5519 -0.5519 4.3645 4.3645 4.3752 4.3752 6.4107 6.4107 6.4112 6.4112 8.8151 8.8151 8.8274 8.8274 9.4877 9.4877 9.4920 9.4920 k =-0.4621 0.3020 0.7394 ( 3368 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0028 -11.0028 -11.0025 -11.0025 -9.9550 -9.9550 -9.9414 -9.9414 -9.7554 -9.7554 -9.7406 -9.7406 -0.5564 -0.5564 -0.5511 -0.5511 4.3570 4.3570 4.3659 4.3659 6.4212 6.4212 6.4218 6.4218 8.7797 8.7797 8.7897 8.7897 9.5811 9.5811 9.5868 9.5868 k =-0.4697 0.2842 0.7394 ( 3376 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0028 -11.0028 -11.0026 -11.0026 -9.9538 -9.9538 -9.9429 -9.9429 -9.7533 -9.7533 -9.7413 -9.7413 -0.5548 -0.5548 -0.5505 -0.5505 4.3511 4.3511 4.3582 4.3582 6.4303 6.4303 6.4308 6.4308 8.7502 8.7502 8.7581 8.7581 9.6772 9.6772 9.6840 9.6840 k =-0.4773 0.2665 0.7394 ( 3376 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0026 -11.0026 -9.9525 -9.9525 -9.9443 -9.9443 -9.7513 -9.7513 -9.7423 -9.7423 -0.5534 -0.5534 -0.5502 -0.5502 4.3466 4.3466 4.3520 4.3520 6.4375 6.4375 6.4379 6.4379 8.7271 8.7271 8.7329 8.7329 9.7752 9.7752 9.7829 9.7829 k =-0.4848 0.2487 0.7394 ( 3380 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0026 -11.0026 -9.9512 -9.9512 -9.9458 -9.9458 -9.7494 -9.7494 -9.7434 -9.7434 -0.5523 -0.5523 -0.5501 -0.5501 4.3437 4.3437 4.3474 4.3474 6.4428 6.4428 6.4431 6.4431 8.7106 8.7106 8.7145 8.7145 9.8730 9.8730 9.8811 9.8811 k =-0.4924 0.2309 0.7394 ( 3392 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0026 -11.0026 -9.9499 -9.9499 -9.9472 -9.9472 -9.7477 -9.7477 -9.7447 -9.7447 -0.5514 -0.5514 -0.5503 -0.5503 4.3424 4.3424 4.3442 4.3442 6.4461 6.4461 6.4463 6.4463 8.7010 8.7010 8.7030 8.7030 9.9636 9.9636 9.9707 9.9707 k =-0.5000 0.2132 0.7394 ( 3396 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0027 -11.0027 -9.9486 -9.9486 -9.9486 -9.9486 -9.7461 -9.7461 -9.7461 -9.7461 -0.5507 -0.5507 -0.5507 -0.5507 4.3425 4.3425 4.3425 4.3425 6.4472 6.4472 6.4472 6.4472 8.6985 8.6985 8.6985 8.6985 10.0143 10.0143 10.0143 10.0143 k =-0.5000 0.2132 0.7394 ( 3396 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0027 -11.0027 -9.9486 -9.9486 -9.9486 -9.9486 -9.7461 -9.7461 -9.7461 -9.7461 -0.5507 -0.5507 -0.5507 -0.5507 4.3425 4.3425 4.3425 4.3425 6.4472 6.4472 6.4472 6.4472 8.6985 8.6985 8.6985 8.6985 10.0143 10.0143 10.0143 10.0143 k =-0.5000 0.2132 0.7200 ( 3396 PWs) bands (ev): -28.1189 -28.1189 -28.1185 -28.1185 -11.0032 -11.0032 -11.0020 -11.0020 -9.9508 -9.9508 -9.9461 -9.9461 -9.7479 -9.7479 -9.7444 -9.7444 -0.6406 -0.6406 -0.4598 -0.4598 4.2612 4.2612 4.4269 4.4269 6.4049 6.4049 6.4917 6.4917 8.6507 8.6507 8.7449 8.7449 9.9727 9.9727 10.0596 10.0596 k =-0.5000 0.2132 0.7005 ( 3388 PWs) bands (ev): -28.1192 -28.1192 -28.1183 -28.1183 -11.0035 -11.0035 -11.0011 -11.0011 -9.9527 -9.9527 -9.9434 -9.9434 -9.7497 -9.7497 -9.7427 -9.7427 -0.7294 -0.7294 -0.3680 -0.3680 4.1831 4.1831 4.5138 4.5138 6.3644 6.3644 6.5382 6.5382 8.6016 8.6016 8.7898 8.7898 9.9348 9.9348 10.0967 10.0967 k =-0.5000 0.2132 0.6810 ( 3386 PWs) bands (ev): -28.1195 -28.1195 -28.1181 -28.1181 -11.0037 -11.0037 -11.0001 -11.0001 -9.9543 -9.9543 -9.9404 -9.9404 -9.7516 -9.7516 -9.7412 -9.7412 -0.8167 -0.8167 -0.2757 -0.2757 4.1087 4.1087 4.6032 4.6032 6.3259 6.3259 6.5869 6.5869 8.5515 8.5515 8.8333 8.8333 9.9003 9.9003 10.0398 10.0398 k =-0.5000 0.2132 0.6616 ( 3372 PWs) bands (ev): -28.1198 -28.1198 -28.1180 -28.1180 -11.0038 -11.0038 -10.9989 -10.9989 -9.9557 -9.9557 -9.9372 -9.9372 -9.7535 -9.7535 -9.7397 -9.7397 -0.9026 -0.9026 -0.1832 -0.1832 4.0384 4.0384 4.6946 4.6946 6.2892 6.2892 6.6378 6.6378 8.5006 8.5006 8.8754 8.8754 9.8689 9.8689 9.9834 9.9834 k =-0.5000 0.2132 0.6421 ( 3368 PWs) bands (ev): -28.1201 -28.1201 -28.1178 -28.1178 -11.0036 -11.0036 -10.9976 -10.9976 -9.9568 -9.9568 -9.9337 -9.9337 -9.7555 -9.7555 -9.7382 -9.7382 -0.9868 -0.9868 -0.0906 -0.0906 3.9724 3.9724 4.7877 4.7877 6.2544 6.2544 6.6910 6.6910 8.4492 8.4492 8.9161 8.9161 9.8400 9.8400 9.9300 9.9300 k =-0.5000 0.2132 0.6227 ( 3372 PWs) bands (ev): -28.1205 -28.1205 -28.1177 -28.1177 -11.0033 -11.0033 -10.9962 -10.9962 -9.9576 -9.9576 -9.9300 -9.9300 -9.7576 -9.7576 -9.7369 -9.7369 -1.0692 -1.0692 0.0015 0.0015 3.9113 3.9113 4.8822 4.8822 6.2212 6.2212 6.7464 6.7464 8.3975 8.3975 8.9556 8.9556 9.8129 9.8129 9.8796 9.8796 k =-0.5000 0.2132 0.6032 ( 3364 PWs) bands (ev): -28.1208 -28.1208 -28.1177 -28.1177 -11.0029 -11.0029 -10.9946 -10.9946 -9.9582 -9.9582 -9.9261 -9.9261 -9.7597 -9.7597 -9.7356 -9.7356 -1.1498 -1.1498 0.0929 0.0929 3.8555 3.8555 4.9779 4.9779 6.1896 6.1896 6.8042 6.8042 8.3460 8.3460 8.9939 8.9939 9.7868 9.7868 9.8323 9.8323 k =-0.5000 0.2132 0.5838 ( 3364 PWs) bands (ev): -28.1212 -28.1212 -28.1176 -28.1176 -11.0023 -11.0023 -10.9929 -10.9929 -9.9584 -9.9584 -9.9220 -9.9220 -9.7619 -9.7619 -9.7344 -9.7344 -1.2284 -1.2284 0.1830 0.1830 3.8055 3.8055 5.0742 5.0742 6.1597 6.1597 6.8644 6.8644 8.2949 8.2949 9.0311 9.0311 9.7610 9.7610 9.7883 9.7883 k =-0.5000 0.2132 0.5643 ( 3352 PWs) bands (ev): -28.1216 -28.1216 -28.1176 -28.1176 -11.0016 -11.0016 -10.9911 -10.9911 -9.9584 -9.9584 -9.9177 -9.9177 -9.7640 -9.7640 -9.7333 -9.7333 -1.3050 -1.3050 0.2713 0.2713 3.7619 3.7619 5.1710 5.1710 6.1313 6.1313 6.9270 6.9270 8.2446 8.2446 9.0672 9.0672 9.7342 9.7342 9.7479 9.7479 k =-0.5000 0.2132 0.5448 ( 3358 PWs) bands (ev): -28.1220 -28.1220 -28.1176 -28.1176 -11.0007 -11.0007 -10.9893 -10.9893 -9.9581 -9.9581 -9.9132 -9.9132 -9.7662 -9.7662 -9.7322 -9.7322 -1.3795 -1.3795 0.3574 0.3574 3.7253 3.7253 5.2676 5.2676 6.1043 6.1043 6.9921 6.9921 8.1954 8.1954 9.1023 9.1023 9.7045 9.7045 9.7124 9.7124 k =-0.5000 0.2132 0.5254 ( 3366 PWs) bands (ev): -28.1225 -28.1225 -28.1176 -28.1176 -10.9997 -10.9997 -10.9873 -10.9873 -9.9576 -9.9576 -9.9086 -9.9086 -9.7685 -9.7685 -9.7313 -9.7313 -1.4518 -1.4518 0.4406 0.4406 3.6962 3.6962 5.3638 5.3638 6.0788 6.0788 7.0596 7.0596 8.1475 8.1475 9.1361 9.1361 9.6720 9.6720 9.6811 9.6811 k =-0.5000 0.2132 0.5059 ( 3366 PWs) bands (ev): -28.1229 -28.1229 -28.1176 -28.1176 -10.9986 -10.9986 -10.9853 -10.9853 -9.9568 -9.9568 -9.9039 -9.9039 -9.7707 -9.7707 -9.7304 -9.7304 -1.5219 -1.5219 0.5204 0.5204 3.6754 3.6754 5.4590 5.4590 6.0546 6.0546 7.1296 7.1296 8.1013 8.1013 9.1685 9.1685 9.6408 9.6408 9.6499 9.6499 k =-0.5000 0.2132 0.4865 ( 3362 PWs) bands (ev): -28.1233 -28.1233 -28.1176 -28.1176 -10.9974 -10.9974 -10.9832 -10.9832 -9.9557 -9.9557 -9.8990 -9.8990 -9.7730 -9.7730 -9.7296 -9.7296 -1.5897 -1.5897 0.5960 0.5960 3.6635 3.6635 5.5526 5.5526 6.0319 6.0319 7.2021 7.2021 8.0569 8.0569 9.1990 9.1990 9.6116 9.6116 9.6180 9.6180 k =-0.5000 0.2132 0.4670 ( 3358 PWs) bands (ev): -28.1238 -28.1238 -28.1177 -28.1177 -10.9962 -10.9962 -10.9811 -10.9811 -9.9544 -9.9544 -9.8941 -9.8941 -9.7752 -9.7752 -9.7289 -9.7289 -1.6551 -1.6551 0.6670 0.6670 3.6612 3.6612 5.6440 5.6440 6.0106 6.0106 7.2771 7.2771 8.0146 8.0146 9.2270 9.2270 9.5809 9.5809 9.5894 9.5894 k =-0.5000 0.2132 0.4475 ( 3354 PWs) bands (ev): -28.1242 -28.1242 -28.1178 -28.1178 -10.9948 -10.9948 -10.9790 -10.9790 -9.9529 -9.9529 -9.8891 -9.8891 -9.7774 -9.7774 -9.7283 -9.7283 -1.7182 -1.7182 0.7327 0.7327 3.6689 3.6689 5.7323 5.7323 5.9911 5.9911 7.3546 7.3546 7.9746 7.9746 9.2515 9.2515 9.5473 9.5473 9.5665 9.5665 k =-0.5000 0.2132 0.4281 ( 3352 PWs) bands (ev): -28.1247 -28.1247 -28.1178 -28.1178 -10.9934 -10.9934 -10.9768 -10.9768 -9.9511 -9.9511 -9.8841 -9.8841 -9.7795 -9.7795 -9.7277 -9.7277 -1.7789 -1.7789 0.7926 0.7926 3.6873 3.6873 5.8157 5.8157 5.9743 5.9743 7.4346 7.4346 7.9370 7.9370 9.2712 9.2712 9.5140 9.5140 9.5471 9.5471 k =-0.5000 0.2132 0.4086 ( 3344 PWs) bands (ev): -28.1251 -28.1251 -28.1179 -28.1179 -10.9920 -10.9920 -10.9747 -10.9747 -9.9491 -9.9491 -9.8791 -9.8791 -9.7815 -9.7815 -9.7273 -9.7273 -1.8371 -1.8371 0.8464 0.8464 3.7166 3.7166 5.8871 5.8871 5.9668 5.9668 7.5170 7.5170 7.9017 7.9017 9.2843 9.2843 9.4828 9.4828 9.5307 9.5307 k =-0.5000 0.2132 0.3892 ( 3340 PWs) bands (ev): -28.1256 -28.1256 -28.1180 -28.1180 -10.9905 -10.9905 -10.9726 -10.9726 -9.9469 -9.9469 -9.8743 -9.8743 -9.7835 -9.7835 -9.7270 -9.7270 -1.8928 -1.8928 0.8938 0.8938 3.7572 3.7572 5.9139 5.9139 6.0006 6.0006 7.6018 7.6018 7.8689 7.8689 9.2884 9.2884 9.4551 9.4551 9.5170 9.5170 k =-0.5000 0.2132 0.3697 ( 3342 PWs) bands (ev): -28.1260 -28.1260 -28.1182 -28.1182 -10.9890 -10.9890 -10.9705 -10.9705 -9.9445 -9.9445 -9.8695 -9.8695 -9.7852 -9.7852 -9.7267 -9.7267 -1.9460 -1.9460 0.9349 0.9349 3.8091 3.8091 5.9059 5.9059 6.0651 6.0651 7.6890 7.6890 7.8385 7.8385 9.2805 9.2805 9.4324 9.4324 9.5060 9.5060 k =-0.5000 0.2132 0.3503 ( 3342 PWs) bands (ev): -28.1265 -28.1265 -28.1183 -28.1183 -10.9875 -10.9875 -10.9685 -10.9685 -9.9420 -9.9420 -9.8650 -9.8650 -9.7868 -9.7868 -9.7266 -9.7266 -1.9966 -1.9966 0.9696 0.9696 3.8721 3.8721 5.8927 5.8927 6.1303 6.1303 7.7774 7.7774 7.8113 7.8113 9.2572 9.2572 9.4157 9.4157 9.4976 9.4976 k =-0.5000 0.2132 0.3308 ( 3334 PWs) bands (ev): -28.1269 -28.1269 -28.1184 -28.1184 -10.9860 -10.9860 -10.9665 -10.9665 -9.9393 -9.9393 -9.8608 -9.8608 -9.7880 -9.7880 -9.7266 -9.7266 -2.0446 -2.0446 0.9984 0.9984 3.9459 3.9459 5.8790 5.8790 6.1910 6.1910 7.7826 7.7826 7.8714 7.8714 9.2148 9.2148 9.4064 9.4064 9.4915 9.4915 k =-0.5000 0.2132 0.3113 ( 3330 PWs) bands (ev): -28.1273 -28.1273 -28.1185 -28.1185 -10.9845 -10.9845 -10.9646 -10.9646 -9.9365 -9.9365 -9.8570 -9.8570 -9.7889 -9.7889 -9.7267 -9.7267 -2.0900 -2.0900 1.0215 1.0215 4.0302 4.0302 5.8656 5.8656 6.2459 6.2459 7.7580 7.7580 7.9651 7.9651 9.1503 9.1503 9.4059 9.4059 9.4877 9.4877 k =-0.5000 0.2132 0.2919 ( 3332 PWs) bands (ev): -28.1277 -28.1277 -28.1187 -28.1187 -10.9831 -10.9831 -10.9628 -10.9628 -9.9335 -9.9335 -9.8537 -9.8537 -9.7894 -9.7894 -9.7269 -9.7269 -2.1328 -2.1328 1.0395 1.0395 4.1242 4.1242 5.8529 5.8529 6.2947 6.2947 7.7345 7.7345 8.0610 8.0610 9.0626 9.0626 9.4150 9.4150 9.4863 9.4863 k =-0.5000 0.2132 0.2724 ( 3332 PWs) bands (ev): -28.1281 -28.1281 -28.1188 -28.1188 -10.9816 -10.9816 -10.9610 -10.9610 -9.9304 -9.9304 -9.8510 -9.8510 -9.7893 -9.7893 -9.7273 -9.7273 -2.1730 -2.1730 1.0530 1.0530 4.2275 4.2275 5.8409 5.8409 6.3374 6.3374 7.7120 7.7120 8.1588 8.1588 8.9533 8.9533 9.4340 9.4340 9.4875 9.4875 k =-0.5000 0.2132 0.2530 ( 3334 PWs) bands (ev): -28.1285 -28.1285 -28.1189 -28.1189 -10.9803 -10.9803 -10.9594 -10.9594 -9.9273 -9.9273 -9.8490 -9.8490 -9.7886 -9.7886 -9.7278 -9.7278 -2.2104 -2.2104 1.0626 1.0626 4.3391 4.3391 5.8297 5.8297 6.3740 6.3740 7.6903 7.6903 8.2579 8.2579 8.8255 8.8255 9.4604 9.4604 9.4936 9.4936 k =-0.5000 0.2132 0.2335 ( 3328 PWs) bands (ev): -28.1288 -28.1288 -28.1191 -28.1191 -10.9789 -10.9789 -10.9579 -10.9579 -9.9241 -9.9241 -9.8477 -9.8477 -9.7873 -9.7873 -9.7285 -9.7285 -2.2452 -2.2452 1.0690 1.0690 4.4585 4.4585 5.8192 5.8192 6.4049 6.4049 7.6692 7.6692 8.3570 8.3570 8.6841 8.6841 9.4801 9.4801 9.5181 9.5181 k =-0.5000 0.2132 0.2140 ( 3332 PWs) bands (ev): -28.1292 -28.1292 -28.1192 -28.1192 -10.9777 -10.9777 -10.9564 -10.9564 -9.9208 -9.9208 -9.8471 -9.8471 -9.7854 -9.7854 -9.7293 -9.7293 -2.2772 -2.2772 1.0726 1.0726 4.5847 4.5847 5.8096 5.8096 6.4306 6.4306 7.6488 7.6488 8.4421 8.4421 8.5464 8.5464 9.4879 9.4879 9.5640 9.5640 k =-0.5000 0.2132 0.1946 ( 3336 PWs) bands (ev): -28.1295 -28.1295 -28.1193 -28.1193 -10.9765 -10.9765 -10.9551 -10.9551 -9.9176 -9.9176 -9.8472 -9.8472 -9.7830 -9.7830 -9.7303 -9.7303 -2.3065 -2.3065 1.0741 1.0741 4.7170 4.7170 5.8008 5.8008 6.4516 6.4516 7.6290 7.6290 8.3498 8.3498 8.5788 8.5788 9.4929 9.4929 9.5710 9.5710 k =-0.5000 0.2132 0.1751 ( 3334 PWs) bands (ev): -28.1298 -28.1298 -28.1194 -28.1194 -10.9755 -10.9755 -10.9539 -10.9539 -9.9143 -9.9143 -9.8478 -9.8478 -9.7802 -9.7802 -9.7314 -9.7314 -2.3331 -2.3331 1.0741 1.0741 4.8545 4.8545 5.7928 5.7928 6.4685 6.4685 7.6100 7.6100 8.1849 8.1849 8.6785 8.6785 9.4942 9.4942 9.5322 9.5322 k =-0.5000 0.2132 0.1557 ( 3332 PWs) bands (ev): -28.1300 -28.1300 -28.1195 -28.1195 -10.9745 -10.9745 -10.9528 -10.9528 -9.9111 -9.9111 -9.8488 -9.8488 -9.7771 -9.7771 -9.7327 -9.7327 -2.3569 -2.3569 1.0728 1.0728 4.9962 4.9962 5.7856 5.7856 6.4819 6.4819 7.5920 7.5920 8.0134 8.0134 8.7814 8.7814 9.4756 9.4756 9.5158 9.5158 k =-0.5000 0.2132 0.1362 ( 3336 PWs) bands (ev): -28.1303 -28.1303 -28.1196 -28.1196 -10.9736 -10.9736 -10.9518 -10.9518 -9.9080 -9.9080 -9.8501 -9.8501 -9.7737 -9.7737 -9.7342 -9.7342 -2.3780 -2.3780 1.0708 1.0708 5.1411 5.1411 5.7793 5.7793 6.4925 6.4925 7.5753 7.5753 7.8401 7.8401 8.8840 8.8840 9.4425 9.4425 9.5181 9.5181 k =-0.5000 0.2132 0.1168 ( 3344 PWs) bands (ev): -28.1305 -28.1305 -28.1197 -28.1197 -10.9728 -10.9728 -10.9510 -10.9510 -9.9051 -9.9051 -9.8517 -9.8517 -9.7703 -9.7703 -9.7359 -9.7359 -2.3962 -2.3962 1.0684 1.0684 5.2876 5.2876 5.7738 5.7738 6.5006 6.5006 7.5596 7.5596 7.6680 7.6680 8.9845 8.9845 9.4113 9.4113 9.5230 9.5230 k =-0.5000 0.2132 0.0973 ( 3346 PWs) bands (ev): -28.1306 -28.1306 -28.1198 -28.1198 -10.9721 -10.9721 -10.9502 -10.9502 -9.9023 -9.9023 -9.8533 -9.8533 -9.7668 -9.7668 -9.7378 -9.7378 -2.4117 -2.4117 1.0659 1.0659 5.4337 5.4337 5.7692 5.7692 6.5069 6.5069 7.4954 7.4954 7.5498 7.5498 9.0810 9.0810 9.3842 9.3842 9.5280 9.5280 k =-0.5000 0.2132 0.0778 ( 3338 PWs) bands (ev): -28.1308 -28.1308 -28.1198 -28.1198 -10.9716 -10.9716 -10.9497 -10.9497 -9.8998 -9.8998 -9.8549 -9.8549 -9.7633 -9.7633 -9.7398 -9.7398 -2.4244 -2.4244 1.0636 1.0636 5.5763 5.5763 5.7655 5.7655 6.5118 6.5118 7.3348 7.3348 7.5370 7.5370 9.1707 9.1707 9.3618 9.3618 9.5326 9.5326 k =-0.5000 0.2132 0.0584 ( 3344 PWs) bands (ev): -28.1309 -28.1309 -28.1199 -28.1199 -10.9711 -10.9711 -10.9492 -10.9492 -9.8976 -9.8976 -9.8564 -9.8564 -9.7599 -9.7599 -9.7421 -9.7421 -2.4342 -2.4342 1.0615 1.0615 5.7093 5.7093 5.7636 5.7636 6.5157 6.5157 7.1850 7.1850 7.5279 7.5279 9.2499 9.2499 9.3442 9.3442 9.5364 9.5364 k =-0.5000 0.2132 0.0389 ( 3338 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9708 -10.9708 -10.9489 -10.9489 -9.8960 -9.8960 -9.8576 -9.8576 -9.7567 -9.7567 -9.7445 -9.7445 -2.4413 -2.4413 1.0600 1.0600 5.7588 5.7588 5.8284 5.8284 6.5189 6.5189 7.0565 7.0565 7.5213 7.5213 9.3134 9.3134 9.3317 9.3317 9.5393 9.5393 k =-0.5000 0.2132 0.0195 ( 3346 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9706 -10.9706 -10.9487 -10.9487 -9.8949 -9.8949 -9.8584 -9.8584 -9.7537 -9.7537 -9.7469 -9.7469 -2.4455 -2.4455 1.0590 1.0590 5.7581 5.7581 5.9114 5.9114 6.5215 6.5215 6.9650 6.9650 7.5173 7.5173 9.3241 9.3241 9.3552 9.3552 9.5410 9.5410 k =-0.5000 0.2132 0.0000 ( 3336 PWs) bands (ev): -28.1310 -28.1310 -28.1199 -28.1199 -10.9706 -10.9706 -10.9486 -10.9486 -9.8945 -9.8945 -9.8586 -9.8586 -9.7520 -9.7520 -9.7486 -9.7486 -2.4469 -2.4469 1.0587 1.0587 5.7578 5.7578 5.9426 5.9426 6.5226 6.5226 6.9307 6.9307 7.5160 7.5160 9.3216 9.3216 9.3699 9.3699 9.5416 9.5416 k = 0.0000 0.0000 0.7394 ( 3352 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9870 -10.9870 -10.9870 -10.9870 -9.8931 -9.8931 -9.8931 -9.8931 -9.8153 -9.8153 -9.8153 -9.8153 -0.6908 -0.6908 -0.6908 -0.6908 5.1035 5.1035 5.1035 5.1035 6.1657 6.1657 6.1657 6.1657 7.4926 7.4926 7.4926 7.4926 10.1043 10.1043 10.1043 10.1043 k =-0.0179 0.0076 0.7394 ( 3356 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9871 -10.9871 -10.9871 -10.9871 -9.8934 -9.8934 -9.8934 -9.8934 -9.8149 -9.8149 -9.8149 -9.8149 -0.6904 -0.6904 -0.6904 -0.6904 5.1005 5.1005 5.1005 5.1005 6.1665 6.1665 6.1665 6.1665 7.4958 7.4958 7.4958 7.4958 10.1061 10.1061 10.1061 10.1061 k =-0.0357 0.0152 0.7394 ( 3352 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9872 -10.9872 -10.9872 -10.9872 -9.8944 -9.8944 -9.8944 -9.8944 -9.8138 -9.8138 -9.8138 -9.8138 -0.6892 -0.6892 -0.6892 -0.6892 5.0917 5.0917 5.0917 5.0917 6.1688 6.1688 6.1688 6.1688 7.5054 7.5054 7.5054 7.5054 10.1116 10.1116 10.1116 10.1116 k =-0.0536 0.0228 0.7394 ( 3358 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9875 -10.9875 -10.9875 -10.9875 -9.8959 -9.8959 -9.8959 -9.8959 -9.8120 -9.8120 -9.8120 -9.8120 -0.6871 -0.6871 -0.6871 -0.6871 5.0773 5.0773 5.0773 5.0773 6.1726 6.1726 6.1726 6.1726 7.5212 7.5212 7.5212 7.5212 10.1204 10.1204 10.1204 10.1204 k =-0.0714 0.0305 0.7394 ( 3354 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9878 -10.9878 -10.9878 -10.9878 -9.8980 -9.8980 -9.8980 -9.8980 -9.8097 -9.8097 -9.8097 -9.8097 -0.6843 -0.6843 -0.6843 -0.6843 5.0576 5.0576 5.0576 5.0576 6.1779 6.1779 6.1779 6.1779 7.5430 7.5430 7.5430 7.5430 10.1324 10.1324 10.1324 10.1324 k =-0.0893 0.0381 0.7394 ( 3350 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9882 -10.9882 -10.9882 -10.9882 -9.9004 -9.9004 -9.9004 -9.9004 -9.8069 -9.8069 -9.8069 -9.8069 -0.6807 -0.6807 -0.6807 -0.6807 5.0330 5.0330 5.0330 5.0330 6.1846 6.1846 6.1846 6.1846 7.5704 7.5704 7.5704 7.5704 10.1473 10.1473 10.1473 10.1473 k =-0.1071 0.0457 0.7394 ( 3354 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9887 -10.9887 -10.9887 -10.9887 -9.9031 -9.9031 -9.9031 -9.9031 -9.8037 -9.8037 -9.8037 -9.8037 -0.6764 -0.6764 -0.6764 -0.6764 5.0042 5.0042 5.0042 5.0042 6.1927 6.1927 6.1927 6.1927 7.6031 7.6031 7.6031 7.6031 10.1647 10.1647 10.1647 10.1647 k =-0.1250 0.0533 0.7394 ( 3358 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9893 -10.9893 -10.9893 -10.9893 -9.9061 -9.9061 -9.9061 -9.9061 -9.8002 -9.8002 -9.8002 -9.8002 -0.6714 -0.6714 -0.6714 -0.6714 4.9715 4.9715 4.9715 4.9715 6.2021 6.2021 6.2021 6.2021 7.6406 7.6406 7.6406 7.6406 10.1839 10.1839 10.1839 10.1839 k =-0.1429 0.0609 0.7394 ( 3358 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9900 -10.9900 -10.9900 -10.9900 -9.9092 -9.9092 -9.9092 -9.9092 -9.7966 -9.7966 -9.7966 -9.7966 -0.6658 -0.6658 -0.6658 -0.6658 4.9357 4.9357 4.9357 4.9357 6.2128 6.2128 6.2128 6.2128 7.6827 7.6827 7.6827 7.6827 10.2043 10.2043 10.2043 10.2043 k =-0.1607 0.0685 0.7394 ( 3360 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9907 -10.9907 -10.9907 -10.9907 -9.9123 -9.9123 -9.9123 -9.9123 -9.7928 -9.7928 -9.7928 -9.7928 -0.6596 -0.6596 -0.6596 -0.6596 4.8974 4.8974 4.8974 4.8974 6.2246 6.2246 6.2246 6.2246 7.7287 7.7287 7.7287 7.7287 10.2252 10.2252 10.2252 10.2252 k =-0.1786 0.0761 0.7394 ( 3344 PWs) bands (ev): -28.1188 -28.1188 -28.1188 -28.1188 -10.9915 -10.9915 -10.9915 -10.9915 -9.9155 -9.9155 -9.9155 -9.9155 -9.7890 -9.7890 -9.7890 -9.7890 -0.6530 -0.6530 -0.6530 -0.6530 4.8572 4.8572 4.8572 4.8572 6.2374 6.2374 6.2374 6.2374 7.7784 7.7784 7.7784 7.7784 10.2458 10.2458 10.2458 10.2458 k =-0.1964 0.0837 0.7394 ( 3354 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9923 -10.9923 -10.9923 -10.9923 -9.9186 -9.9186 -9.9186 -9.9186 -9.7851 -9.7851 -9.7851 -9.7851 -0.6459 -0.6459 -0.6459 -0.6459 4.8157 4.8157 4.8157 4.8157 6.2512 6.2512 6.2512 6.2512 7.8314 7.8314 7.8314 7.8314 10.2651 10.2651 10.2651 10.2651 k =-0.2143 0.0914 0.7394 ( 3354 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9931 -10.9931 -10.9931 -10.9931 -9.9217 -9.9217 -9.9217 -9.9217 -9.7813 -9.7813 -9.7813 -9.7813 -0.6385 -0.6385 -0.6385 -0.6385 4.7735 4.7735 4.7735 4.7735 6.2657 6.2657 6.2657 6.2657 7.8872 7.8872 7.8872 7.8872 10.2821 10.2821 10.2821 10.2821 k =-0.2321 0.0990 0.7394 ( 3350 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9940 -10.9940 -10.9940 -10.9940 -9.9247 -9.9247 -9.9247 -9.9247 -9.7776 -9.7776 -9.7776 -9.7776 -0.6309 -0.6309 -0.6309 -0.6309 4.7310 4.7310 4.7310 4.7310 6.2807 6.2807 6.2807 6.2807 7.9454 7.9454 7.9454 7.9454 10.2957 10.2957 10.2957 10.2957 k =-0.2500 0.1066 0.7394 ( 3350 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9949 -10.9949 -10.9949 -10.9949 -9.9275 -9.9275 -9.9275 -9.9275 -9.7739 -9.7739 -9.7739 -9.7739 -0.6230 -0.6230 -0.6230 -0.6230 4.6889 4.6889 4.6889 4.6889 6.2963 6.2963 6.2963 6.2963 8.0058 8.0058 8.0058 8.0058 10.3048 10.3048 10.3048 10.3048 k =-0.2679 0.1142 0.7394 ( 3352 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9957 -10.9957 -10.9957 -10.9957 -9.9303 -9.9303 -9.9303 -9.9303 -9.7704 -9.7704 -9.7704 -9.7704 -0.6152 -0.6152 -0.6152 -0.6152 4.6476 4.6476 4.6476 4.6476 6.3120 6.3120 6.3120 6.3120 8.0678 8.0678 8.0678 8.0678 10.3085 10.3085 10.3085 10.3085 k =-0.2857 0.1218 0.7394 ( 3354 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9966 -10.9966 -10.9966 -10.9966 -9.9328 -9.9328 -9.9328 -9.9328 -9.7671 -9.7671 -9.7671 -9.7671 -0.6074 -0.6074 -0.6074 -0.6074 4.6075 4.6075 4.6075 4.6075 6.3279 6.3279 6.3279 6.3279 8.1311 8.1311 8.1311 8.1311 10.3060 10.3060 10.3060 10.3060 k =-0.3036 0.1294 0.7394 ( 3356 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9974 -10.9974 -10.9974 -10.9974 -9.9353 -9.9353 -9.9353 -9.9353 -9.7639 -9.7639 -9.7639 -9.7639 -0.5997 -0.5997 -0.5997 -0.5997 4.5691 4.5691 4.5691 4.5691 6.3435 6.3435 6.3435 6.3435 8.1952 8.1952 8.1952 8.1952 10.2966 10.2966 10.2966 10.2966 k =-0.3214 0.1370 0.7394 ( 3360 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9983 -10.9983 -10.9983 -10.9983 -9.9375 -9.9375 -9.9375 -9.9375 -9.7610 -9.7610 -9.7610 -9.7610 -0.5923 -0.5923 -0.5923 -0.5923 4.5327 4.5327 4.5327 4.5327 6.3589 6.3589 6.3589 6.3589 8.2595 8.2595 8.2595 8.2595 10.2802 10.2802 10.2802 10.2802 k =-0.3393 0.1446 0.7394 ( 3366 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9990 -10.9990 -10.9990 -10.9990 -9.9396 -9.9396 -9.9396 -9.9396 -9.7583 -9.7583 -9.7583 -9.7583 -0.5852 -0.5852 -0.5852 -0.5852 4.4988 4.4988 4.4988 4.4988 6.3736 6.3736 6.3736 6.3736 8.3234 8.3234 8.3234 8.3234 10.2573 10.2573 10.2573 10.2573 k =-0.3571 0.1523 0.7394 ( 3368 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -10.9997 -10.9997 -10.9997 -10.9997 -9.9414 -9.9414 -9.9414 -9.9414 -9.7558 -9.7558 -9.7558 -9.7558 -0.5785 -0.5785 -0.5785 -0.5785 4.4675 4.4675 4.4675 4.4675 6.3876 6.3876 6.3876 6.3876 8.3862 8.3862 8.3862 8.3862 10.2286 10.2286 10.2286 10.2286 k =-0.3750 0.1599 0.7394 ( 3368 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0004 -11.0004 -11.0004 -11.0004 -9.9431 -9.9431 -9.9431 -9.9431 -9.7536 -9.7536 -9.7536 -9.7536 -0.5724 -0.5724 -0.5724 -0.5724 4.4393 4.4393 4.4393 4.4393 6.4005 6.4005 6.4005 6.4005 8.4469 8.4469 8.4469 8.4469 10.1955 10.1955 10.1955 10.1955 k =-0.3929 0.1675 0.7394 ( 3364 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0010 -11.0010 -11.0010 -11.0010 -9.9445 -9.9445 -9.9445 -9.9445 -9.7516 -9.7516 -9.7516 -9.7516 -0.5669 -0.5669 -0.5669 -0.5669 4.4143 4.4143 4.4143 4.4143 6.4122 6.4122 6.4122 6.4122 8.5044 8.5044 8.5044 8.5044 10.1598 10.1598 10.1598 10.1598 k =-0.4107 0.1751 0.7394 ( 3368 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0015 -11.0015 -11.0015 -11.0015 -9.9457 -9.9457 -9.9457 -9.9457 -9.7499 -9.7499 -9.7499 -9.7499 -0.5621 -0.5621 -0.5621 -0.5621 4.3927 4.3927 4.3927 4.3927 6.4225 6.4225 6.4225 6.4225 8.5575 8.5575 8.5575 8.5575 10.1235 10.1235 10.1235 10.1235 k =-0.4286 0.1827 0.7394 ( 3372 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0019 -11.0019 -11.0019 -11.0019 -9.9467 -9.9467 -9.9467 -9.9467 -9.7486 -9.7486 -9.7486 -9.7486 -0.5581 -0.5581 -0.5581 -0.5581 4.3749 4.3749 4.3749 4.3749 6.4312 6.4312 6.4312 6.4312 8.6045 8.6045 8.6045 8.6045 10.0890 10.0890 10.0890 10.0890 k =-0.4464 0.1903 0.7394 ( 3380 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0022 -11.0022 -11.0022 -11.0022 -9.9475 -9.9475 -9.9475 -9.9475 -9.7475 -9.7475 -9.7475 -9.7475 -0.5549 -0.5549 -0.5549 -0.5549 4.3608 4.3608 4.3608 4.3608 6.4381 6.4381 6.4381 6.4381 8.6438 8.6438 8.6438 8.6438 10.0586 10.0586 10.0586 10.0586 k =-0.4643 0.1979 0.7394 ( 3392 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0025 -11.0025 -11.0025 -11.0025 -9.9481 -9.9481 -9.9481 -9.9481 -9.7467 -9.7467 -9.7467 -9.7467 -0.5526 -0.5526 -0.5526 -0.5526 4.3507 4.3507 4.3507 4.3507 6.4432 6.4432 6.4432 6.4432 8.6735 8.6735 8.6735 8.6735 10.0348 10.0348 10.0348 10.0348 k =-0.4821 0.2055 0.7394 ( 3392 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0026 -11.0026 -11.0026 -11.0026 -9.9484 -9.9484 -9.9484 -9.9484 -9.7462 -9.7462 -9.7462 -9.7462 -0.5512 -0.5512 -0.5512 -0.5512 4.3446 4.3446 4.3446 4.3446 6.4462 6.4462 6.4462 6.4462 8.6921 8.6921 8.6921 8.6921 10.0196 10.0196 10.0196 10.0196 k =-0.5000 0.2132 0.7394 ( 3396 PWs) bands (ev): -28.1187 -28.1187 -28.1187 -28.1187 -11.0027 -11.0027 -11.0027 -11.0027 -9.9486 -9.9486 -9.9486 -9.9486 -9.7461 -9.7461 -9.7461 -9.7461 -0.5507 -0.5507 -0.5507 -0.5507 4.3425 4.3425 4.3425 4.3425 6.4472 6.4472 6.4472 6.4472 8.6985 8.6985 8.6985 8.6985 10.0143 10.0143 10.0143 10.0143 Writing output data file SrGe.save init_run : 4.28s CPU 13.33s WALL ( 1 calls) electrons : 372.16s CPU 378.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 372.13s CPU 378.70s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.85s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.07s CPU 0.59s WALL ( 1 calls) newd : 0.49s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 382 calls) cegterg : 326.64s CPU 329.52s WALL ( 825 calls) Called by sum_band: Called by *egterg: h_psi : 163.24s CPU 169.71s WALL ( 13612 calls) s_psi : 13.40s CPU 14.14s WALL ( 13612 calls) g_psi : 0.32s CPU 0.51s WALL ( 12405 calls) cdiaghg : 109.59s CPU 107.05s WALL ( 12787 calls) cegterg:over : 26.47s CPU 23.35s WALL ( 12405 calls) cegterg:upda : 3.50s CPU 6.64s WALL ( 12405 calls) cegterg:last : 3.24s CPU 4.04s WALL ( 1999 calls) Called by h_psi: h_psi:vloc : 134.60s CPU 140.89s WALL ( 13612 calls) h_psi:vnl : 28.50s CPU 28.40s WALL ( 13612 calls) add_vuspsi : 7.28s CPU 11.03s WALL ( 13612 calls) General routines calbec : 21.19s CPU 17.29s WALL ( 13612 calls) fft : 0.27s CPU 1.25s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.58s CPU 131.58s WALL ( 939320 calls) interpolate : 0.04s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 2.58s WALL ( 764 calls) Parallel routines fft_scatter : 77.97s CPU 83.57s WALL ( 939343 calls) PWSCF : 7m 8.05s CPU 9m 4.99s WALL This run was terminated on: 7:25: 5 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=