Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 26 7 2533 1197 187 Max 45 27 8 2538 1217 197 Sum 1555 957 281 91289 43425 6915 bravais-lattice index = 14 lattice parameter (alat) = 8.0880 a.u. unit-cell volume = 1268.5168 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 8.088027 celldm(2)= 1.141822 celldm(3)= 2.144159 celldm(4)= 0.202445 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.141822 0.000000 ) a(3) = ( 0.000000 0.434075 2.099761 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.875793 -0.181049 ) b(3) = ( 0.000000 0.000000 0.476245 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/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 Sb 5.00 121.76000 Sb( 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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 258 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0132290), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0264580), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0396871), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.0529161), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.0661451), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.0793741), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.0926031), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.1058322), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.1190612), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.1322902), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.1455192), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.1587482), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.1719772), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.1852063), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.1984353), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.2116643), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.2248933), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.2381223), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.2381223), wk = 0.0038760 k( 21) = ( 0.0000000 0.0135795 0.2381223), wk = 0.0038760 k( 22) = ( 0.0000000 0.0271589 0.2381223), wk = 0.0038760 k( 23) = ( 0.0000000 0.0407384 0.2381223), wk = 0.0038760 k( 24) = ( 0.0000000 0.0543179 0.2381223), wk = 0.0038760 k( 25) = ( 0.0000000 0.0678974 0.2381223), wk = 0.0038760 k( 26) = ( 0.0000000 0.0814768 0.2381223), wk = 0.0038760 k( 27) = ( 0.0000000 0.0950563 0.2381223), wk = 0.0038760 k( 28) = ( 0.0000000 0.1086358 0.2381223), wk = 0.0038760 k( 29) = ( 0.0000000 0.1222152 0.2381223), wk = 0.0038760 k( 30) = ( 0.0000000 0.1357947 0.2381223), wk = 0.0038760 k( 31) = ( 0.0000000 0.1493742 0.2381223), wk = 0.0038760 k( 32) = ( 0.0000000 0.1629537 0.2381223), wk = 0.0038760 k( 33) = ( 0.0000000 0.1765331 0.2381223), wk = 0.0038760 k( 34) = ( 0.0000000 0.1901126 0.2381223), wk = 0.0038760 k( 35) = ( 0.0000000 0.2036921 0.2381223), wk = 0.0038760 k( 36) = ( 0.0000000 0.2172716 0.2381223), wk = 0.0038760 k( 37) = ( 0.0000000 0.2308510 0.2381223), wk = 0.0038760 k( 38) = ( 0.0000000 0.2444305 0.2381223), wk = 0.0038760 k( 39) = ( 0.0000000 0.2580100 0.2381223), wk = 0.0038760 k( 40) = ( 0.0000000 0.2715894 0.2381223), wk = 0.0038760 k( 41) = ( 0.0000000 0.2851689 0.2381223), wk = 0.0038760 k( 42) = ( 0.0000000 0.2987484 0.2381223), wk = 0.0038760 k( 43) = ( 0.0000000 0.3123279 0.2381223), wk = 0.0038760 k( 44) = ( 0.0000000 0.3259073 0.2381223), wk = 0.0038760 k( 45) = ( 0.0000000 0.3394868 0.2381223), wk = 0.0038760 k( 46) = ( 0.0000000 0.3530663 0.2381223), wk = 0.0038760 k( 47) = ( 0.0000000 0.3666457 0.2381223), wk = 0.0038760 k( 48) = ( 0.0000000 0.3802252 0.2381223), wk = 0.0038760 k( 49) = ( 0.0000000 0.3938047 0.2381223), wk = 0.0038760 k( 50) = ( 0.0000000 0.4073842 0.2381223), wk = 0.0038760 k( 51) = ( 0.0000000 0.4073842 0.2381223), wk = 0.0038760 k( 52) = ( 0.0000000 0.4111982 0.2268068), wk = 0.0038760 k( 53) = ( 0.0000000 0.4150122 0.2154912), wk = 0.0038760 k( 54) = ( 0.0000000 0.4188263 0.2041756), wk = 0.0038760 k( 55) = ( 0.0000000 0.4226403 0.1928600), wk = 0.0038760 k( 56) = ( 0.0000000 0.4264543 0.1815445), wk = 0.0038760 k( 57) = ( 0.0000000 0.4302684 0.1702289), wk = 0.0038760 k( 58) = ( 0.0000000 0.4340824 0.1589133), wk = 0.0038760 k( 59) = ( 0.0000000 0.4378965 0.1475977), wk = 0.0038760 k( 60) = ( 0.0000000 0.4378965 0.1475977), wk = 0.0038760 k( 61) = ( 0.0135135 0.4378965 0.1475977), wk = 0.0038760 k( 62) = ( 0.0270270 0.4378965 0.1475977), wk = 0.0038760 k( 63) = ( 0.0405405 0.4378965 0.1475977), wk = 0.0038760 k( 64) = ( 0.0540540 0.4378965 0.1475977), wk = 0.0038760 k( 65) = ( 0.0675676 0.4378965 0.1475977), wk = 0.0038760 k( 66) = ( 0.0810811 0.4378965 0.1475977), wk = 0.0038760 k( 67) = ( 0.0945946 0.4378965 0.1475977), wk = 0.0038760 k( 68) = ( 0.1081081 0.4378965 0.1475977), wk = 0.0038760 k( 69) = ( 0.1216216 0.4378965 0.1475977), wk = 0.0038760 k( 70) = ( 0.1351351 0.4378965 0.1475977), wk = 0.0038760 k( 71) = ( 0.1486486 0.4378965 0.1475977), wk = 0.0038760 k( 72) = ( 0.1621622 0.4378965 0.1475977), wk = 0.0038760 k( 73) = ( 0.1756757 0.4378965 0.1475977), wk = 0.0038760 k( 74) = ( 0.1891892 0.4378965 0.1475977), wk = 0.0038760 k( 75) = ( 0.2027027 0.4378965 0.1475977), wk = 0.0038760 k( 76) = ( 0.2162162 0.4378965 0.1475977), wk = 0.0038760 k( 77) = ( 0.2297297 0.4378965 0.1475977), wk = 0.0038760 k( 78) = ( 0.2432432 0.4378965 0.1475977), wk = 0.0038760 k( 79) = ( 0.2567568 0.4378965 0.1475977), wk = 0.0038760 k( 80) = ( 0.2702703 0.4378965 0.1475977), wk = 0.0038760 k( 81) = ( 0.2837838 0.4378965 0.1475977), wk = 0.0038760 k( 82) = ( 0.2972973 0.4378965 0.1475977), wk = 0.0038760 k( 83) = ( 0.3108108 0.4378965 0.1475977), wk = 0.0038760 k( 84) = ( 0.3243243 0.4378965 0.1475977), wk = 0.0038760 k( 85) = ( 0.3378378 0.4378965 0.1475977), wk = 0.0038760 k( 86) = ( 0.3513514 0.4378965 0.1475977), wk = 0.0038760 k( 87) = ( 0.3648649 0.4378965 0.1475977), wk = 0.0038760 k( 88) = ( 0.3783784 0.4378965 0.1475977), wk = 0.0038760 k( 89) = ( 0.3918919 0.4378965 0.1475977), wk = 0.0038760 k( 90) = ( 0.4054054 0.4378965 0.1475977), wk = 0.0038760 k( 91) = ( 0.4189189 0.4378965 0.1475977), wk = 0.0038760 k( 92) = ( 0.4324324 0.4378965 0.1475977), wk = 0.0038760 k( 93) = ( 0.4459459 0.4378965 0.1475977), wk = 0.0038760 k( 94) = ( 0.4594595 0.4378965 0.1475977), wk = 0.0038760 k( 95) = ( 0.4729730 0.4378965 0.1475977), wk = 0.0038760 k( 96) = ( 0.4864865 0.4378965 0.1475977), wk = 0.0038760 k( 97) = ( 0.5000000 0.4378965 0.1475977), wk = 0.0038760 k( 98) = ( 0.5000000 0.4378965 0.1475977), wk = 0.0038760 k( 99) = ( 0.5000000 0.4417105 0.1362822), wk = 0.0038760 k( 100) = ( 0.5000000 0.4455245 0.1249666), wk = 0.0038760 k( 101) = ( 0.5000000 0.4493386 0.1136510), wk = 0.0038760 k( 102) = ( 0.5000000 0.4531526 0.1023354), wk = 0.0038760 k( 103) = ( 0.5000000 0.4569666 0.0910199), wk = 0.0038760 k( 104) = ( 0.5000000 0.4607807 0.0797043), wk = 0.0038760 k( 105) = ( 0.5000000 0.4645947 0.0683887), wk = 0.0038760 k( 106) = ( 0.5000000 0.4684088 0.0570731), wk = 0.0038760 k( 107) = ( 0.5000000 0.4684088 0.0570731), wk = 0.0038760 k( 108) = ( 0.5000000 0.4658661 0.0447733), wk = 0.0038760 k( 109) = ( 0.5000000 0.4633234 0.0324735), wk = 0.0038760 k( 110) = ( 0.5000000 0.4607807 0.0201737), wk = 0.0038760 k( 111) = ( 0.5000000 0.4582380 0.0078739), wk = 0.0038760 k( 112) = ( 0.5000000 0.4556953 -0.0044259), wk = 0.0038760 k( 113) = ( 0.5000000 0.4531526 -0.0167257), wk = 0.0038760 k( 114) = ( 0.5000000 0.4506099 -0.0290255), wk = 0.0038760 k( 115) = ( 0.5000000 0.4480672 -0.0413253), wk = 0.0038760 k( 116) = ( 0.5000000 0.4455245 -0.0536252), wk = 0.0038760 k( 117) = ( 0.5000000 0.4429818 -0.0659250), wk = 0.0038760 k( 118) = ( 0.5000000 0.4404391 -0.0782248), wk = 0.0038760 k( 119) = ( 0.5000000 0.4378965 -0.0905246), wk = 0.0038760 k( 120) = ( 0.5000000 0.4378965 -0.0905246), wk = 0.0038760 k( 121) = ( 0.4864865 0.4378965 -0.0905246), wk = 0.0038760 k( 122) = ( 0.4729730 0.4378965 -0.0905246), wk = 0.0038760 k( 123) = ( 0.4594595 0.4378965 -0.0905246), wk = 0.0038760 k( 124) = ( 0.4459459 0.4378965 -0.0905246), wk = 0.0038760 k( 125) = ( 0.4324324 0.4378965 -0.0905246), wk = 0.0038760 k( 126) = ( 0.4189189 0.4378965 -0.0905246), wk = 0.0038760 k( 127) = ( 0.4054054 0.4378965 -0.0905246), wk = 0.0038760 k( 128) = ( 0.3918919 0.4378965 -0.0905246), wk = 0.0038760 k( 129) = ( 0.3783784 0.4378965 -0.0905246), wk = 0.0038760 k( 130) = ( 0.3648649 0.4378965 -0.0905246), wk = 0.0038760 k( 131) = ( 0.3513514 0.4378965 -0.0905246), wk = 0.0038760 k( 132) = ( 0.3378378 0.4378965 -0.0905246), wk = 0.0038760 k( 133) = ( 0.3243243 0.4378965 -0.0905246), wk = 0.0038760 k( 134) = ( 0.3108108 0.4378965 -0.0905246), wk = 0.0038760 k( 135) = ( 0.2972973 0.4378965 -0.0905246), wk = 0.0038760 k( 136) = ( 0.2837838 0.4378965 -0.0905246), wk = 0.0038760 k( 137) = ( 0.2702703 0.4378965 -0.0905246), wk = 0.0038760 k( 138) = ( 0.2567568 0.4378965 -0.0905246), wk = 0.0038760 k( 139) = ( 0.2432432 0.4378965 -0.0905246), wk = 0.0038760 k( 140) = ( 0.2297297 0.4378965 -0.0905246), wk = 0.0038760 k( 141) = ( 0.2162162 0.4378965 -0.0905246), wk = 0.0038760 k( 142) = ( 0.2027027 0.4378965 -0.0905246), wk = 0.0038760 k( 143) = ( 0.1891892 0.4378965 -0.0905246), wk = 0.0038760 k( 144) = ( 0.1756757 0.4378965 -0.0905246), wk = 0.0038760 k( 145) = ( 0.1621622 0.4378965 -0.0905246), wk = 0.0038760 k( 146) = ( 0.1486486 0.4378965 -0.0905246), wk = 0.0038760 k( 147) = ( 0.1351351 0.4378965 -0.0905246), wk = 0.0038760 k( 148) = ( 0.1216216 0.4378965 -0.0905246), wk = 0.0038760 k( 149) = ( 0.1081081 0.4378965 -0.0905246), wk = 0.0038760 k( 150) = ( 0.0945946 0.4378965 -0.0905246), wk = 0.0038760 k( 151) = ( 0.0810811 0.4378965 -0.0905246), wk = 0.0038760 k( 152) = ( 0.0675676 0.4378965 -0.0905246), wk = 0.0038760 k( 153) = ( 0.0540540 0.4378965 -0.0905246), wk = 0.0038760 k( 154) = ( 0.0405405 0.4378965 -0.0905246), wk = 0.0038760 k( 155) = ( 0.0270270 0.4378965 -0.0905246), wk = 0.0038760 k( 156) = ( 0.0135135 0.4378965 -0.0905246), wk = 0.0038760 k( 157) = ( 0.0000000 0.4378965 -0.0905246), wk = 0.0038760 k( 158) = ( 0.0000000 0.4378965 -0.0905246), wk = 0.0038760 k( 159) = ( 0.0000000 0.4404391 -0.0782248), wk = 0.0038760 k( 160) = ( 0.0000000 0.4429818 -0.0659250), wk = 0.0038760 k( 161) = ( 0.0000000 0.4455245 -0.0536252), wk = 0.0038760 k( 162) = ( 0.0000000 0.4480672 -0.0413253), wk = 0.0038760 k( 163) = ( 0.0000000 0.4506099 -0.0290255), wk = 0.0038760 k( 164) = ( 0.0000000 0.4531526 -0.0167257), wk = 0.0038760 k( 165) = ( 0.0000000 0.4556953 -0.0044259), wk = 0.0038760 k( 166) = ( 0.0000000 0.4582380 0.0078739), wk = 0.0038760 k( 167) = ( 0.0000000 0.4607807 0.0201737), wk = 0.0038760 k( 168) = ( 0.0000000 0.4633234 0.0324735), wk = 0.0038760 k( 169) = ( 0.0000000 0.4658661 0.0447733), wk = 0.0038760 k( 170) = ( 0.0000000 0.4684088 0.0570731), wk = 0.0038760 k( 171) = ( 0.5000000 0.4073842 0.2381223), wk = 0.0038760 k( 172) = ( 0.5000000 0.3938047 0.2381223), wk = 0.0038760 k( 173) = ( 0.5000000 0.3802252 0.2381223), wk = 0.0038760 k( 174) = ( 0.5000000 0.3666457 0.2381223), wk = 0.0038760 k( 175) = ( 0.5000000 0.3530663 0.2381223), wk = 0.0038760 k( 176) = ( 0.5000000 0.3394868 0.2381223), wk = 0.0038760 k( 177) = ( 0.5000000 0.3259073 0.2381223), wk = 0.0038760 k( 178) = ( 0.5000000 0.3123279 0.2381223), wk = 0.0038760 k( 179) = ( 0.5000000 0.2987484 0.2381223), wk = 0.0038760 k( 180) = ( 0.5000000 0.2851689 0.2381223), wk = 0.0038760 k( 181) = ( 0.5000000 0.2715894 0.2381223), wk = 0.0038760 k( 182) = ( 0.5000000 0.2580100 0.2381223), wk = 0.0038760 k( 183) = ( 0.5000000 0.2444305 0.2381223), wk = 0.0038760 k( 184) = ( 0.5000000 0.2308510 0.2381223), wk = 0.0038760 k( 185) = ( 0.5000000 0.2172716 0.2381223), wk = 0.0038760 k( 186) = ( 0.5000000 0.2036921 0.2381223), wk = 0.0038760 k( 187) = ( 0.5000000 0.1901126 0.2381223), wk = 0.0038760 k( 188) = ( 0.5000000 0.1765331 0.2381223), wk = 0.0038760 k( 189) = ( 0.5000000 0.1629537 0.2381223), wk = 0.0038760 k( 190) = ( 0.5000000 0.1493742 0.2381223), wk = 0.0038760 k( 191) = ( 0.5000000 0.1357947 0.2381223), wk = 0.0038760 k( 192) = ( 0.5000000 0.1222152 0.2381223), wk = 0.0038760 k( 193) = ( 0.5000000 0.1086358 0.2381223), wk = 0.0038760 k( 194) = ( 0.5000000 0.0950563 0.2381223), wk = 0.0038760 k( 195) = ( 0.5000000 0.0814768 0.2381223), wk = 0.0038760 k( 196) = ( 0.5000000 0.0678974 0.2381223), wk = 0.0038760 k( 197) = ( 0.5000000 0.0543179 0.2381223), wk = 0.0038760 k( 198) = ( 0.5000000 0.0407384 0.2381223), wk = 0.0038760 k( 199) = ( 0.5000000 0.0271589 0.2381223), wk = 0.0038760 k( 200) = ( 0.5000000 0.0135795 0.2381223), wk = 0.0038760 k( 201) = ( 0.5000000 -0.0000000 0.2381223), wk = 0.0038760 k( 202) = ( 0.5000000 -0.0000000 0.2381223), wk = 0.0038760 k( 203) = ( 0.5000000 -0.0000000 0.2248933), wk = 0.0038760 k( 204) = ( 0.5000000 -0.0000000 0.2116643), wk = 0.0038760 k( 205) = ( 0.5000000 -0.0000000 0.1984353), wk = 0.0038760 k( 206) = ( 0.5000000 -0.0000000 0.1852063), wk = 0.0038760 k( 207) = ( 0.5000000 -0.0000000 0.1719772), wk = 0.0038760 k( 208) = ( 0.5000000 -0.0000000 0.1587482), wk = 0.0038760 k( 209) = ( 0.5000000 -0.0000000 0.1455192), wk = 0.0038760 k( 210) = ( 0.5000000 -0.0000000 0.1322902), wk = 0.0038760 k( 211) = ( 0.5000000 -0.0000000 0.1190612), wk = 0.0038760 k( 212) = ( 0.5000000 -0.0000000 0.1058322), wk = 0.0038760 k( 213) = ( 0.5000000 -0.0000000 0.0926031), wk = 0.0038760 k( 214) = ( 0.5000000 -0.0000000 0.0793741), wk = 0.0038760 k( 215) = ( 0.5000000 -0.0000000 0.0661451), wk = 0.0038760 k( 216) = ( 0.5000000 -0.0000000 0.0529161), wk = 0.0038760 k( 217) = ( 0.5000000 -0.0000000 0.0396871), wk = 0.0038760 k( 218) = ( 0.5000000 -0.0000000 0.0264580), wk = 0.0038760 k( 219) = ( 0.5000000 -0.0000000 0.0132290), wk = 0.0038760 k( 220) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038760 k( 221) = ( 0.0000000 0.0000000 0.2381223), wk = 0.0038760 k( 222) = ( 0.0135135 -0.0000000 0.2381223), wk = 0.0038760 k( 223) = ( 0.0270270 -0.0000000 0.2381223), wk = 0.0038760 k( 224) = ( 0.0405405 -0.0000000 0.2381223), wk = 0.0038760 k( 225) = ( 0.0540540 -0.0000000 0.2381223), wk = 0.0038760 k( 226) = ( 0.0675676 -0.0000000 0.2381223), wk = 0.0038760 k( 227) = ( 0.0810811 -0.0000000 0.2381223), wk = 0.0038760 k( 228) = ( 0.0945946 -0.0000000 0.2381223), wk = 0.0038760 k( 229) = ( 0.1081081 -0.0000000 0.2381223), wk = 0.0038760 k( 230) = ( 0.1216216 -0.0000000 0.2381223), wk = 0.0038760 k( 231) = ( 0.1351351 -0.0000000 0.2381223), wk = 0.0038760 k( 232) = ( 0.1486486 -0.0000000 0.2381223), wk = 0.0038760 k( 233) = ( 0.1621622 -0.0000000 0.2381223), wk = 0.0038760 k( 234) = ( 0.1756757 -0.0000000 0.2381223), wk = 0.0038760 k( 235) = ( 0.1891892 -0.0000000 0.2381223), wk = 0.0038760 k( 236) = ( 0.2027027 -0.0000000 0.2381223), wk = 0.0038760 k( 237) = ( 0.2162162 -0.0000000 0.2381223), wk = 0.0038760 k( 238) = ( 0.2297297 -0.0000000 0.2381223), wk = 0.0038760 k( 239) = ( 0.2432432 -0.0000000 0.2381223), wk = 0.0038760 k( 240) = ( 0.2567568 -0.0000000 0.2381223), wk = 0.0038760 k( 241) = ( 0.2702703 -0.0000000 0.2381223), wk = 0.0038760 k( 242) = ( 0.2837838 -0.0000000 0.2381223), wk = 0.0038760 k( 243) = ( 0.2972973 -0.0000000 0.2381223), wk = 0.0038760 k( 244) = ( 0.3108108 -0.0000000 0.2381223), wk = 0.0038760 k( 245) = ( 0.3243243 -0.0000000 0.2381223), wk = 0.0038760 k( 246) = ( 0.3378378 -0.0000000 0.2381223), wk = 0.0038760 k( 247) = ( 0.3513514 -0.0000000 0.2381223), wk = 0.0038760 k( 248) = ( 0.3648649 -0.0000000 0.2381223), wk = 0.0038760 k( 249) = ( 0.3783784 -0.0000000 0.2381223), wk = 0.0038760 k( 250) = ( 0.3918919 -0.0000000 0.2381223), wk = 0.0038760 k( 251) = ( 0.4054054 -0.0000000 0.2381223), wk = 0.0038760 k( 252) = ( 0.4189189 -0.0000000 0.2381223), wk = 0.0038760 k( 253) = ( 0.4324324 -0.0000000 0.2381223), wk = 0.0038760 k( 254) = ( 0.4459459 -0.0000000 0.2381223), wk = 0.0038760 k( 255) = ( 0.4594595 -0.0000000 0.2381223), wk = 0.0038760 k( 256) = ( 0.4729730 -0.0000000 0.2381223), wk = 0.0038760 k( 257) = ( 0.4864865 -0.0000000 0.2381223), wk = 0.0038760 k( 258) = ( 0.5000000 -0.0000000 0.2381223), wk = 0.0038760 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 21) = ( 0.0000000 0.0155054 0.5058945), wk = 0.0038760 k( 22) = ( 0.0000000 0.0310107 0.5117890), wk = 0.0038760 k( 23) = ( 0.0000000 0.0465160 0.5176835), wk = 0.0038760 k( 24) = ( 0.0000000 0.0620214 0.5235781), wk = 0.0038760 k( 25) = ( 0.0000000 0.0775267 0.5294726), wk = 0.0038760 k( 26) = ( 0.0000000 0.0930321 0.5353671), wk = 0.0038760 k( 27) = ( 0.0000000 0.1085374 0.5412616), wk = 0.0038760 k( 28) = ( 0.0000000 0.1240428 0.5471561), wk = 0.0038760 k( 29) = ( 0.0000000 0.1395481 0.5530506), wk = 0.0038760 k( 30) = ( 0.0000000 0.1550535 0.5589451), wk = 0.0038760 k( 31) = ( 0.0000000 0.1705588 0.5648396), wk = 0.0038760 k( 32) = ( 0.0000000 0.1860642 0.5707342), wk = 0.0038760 k( 33) = ( 0.0000000 0.2015695 0.5766287), wk = 0.0038760 k( 34) = ( 0.0000000 0.2170748 0.5825232), wk = 0.0038760 k( 35) = ( 0.0000000 0.2325802 0.5884177), wk = 0.0038760 k( 36) = ( 0.0000000 0.2480855 0.5943122), wk = 0.0038760 k( 37) = ( 0.0000000 0.2635909 0.6002067), wk = 0.0038760 k( 38) = ( 0.0000000 0.2790962 0.6061012), wk = 0.0038760 k( 39) = ( 0.0000000 0.2946016 0.6119957), wk = 0.0038760 k( 40) = ( 0.0000000 0.3101069 0.6178903), wk = 0.0038760 k( 41) = ( 0.0000000 0.3256123 0.6237848), wk = 0.0038760 k( 42) = ( 0.0000000 0.3411176 0.6296793), wk = 0.0038760 k( 43) = ( 0.0000000 0.3566229 0.6355738), wk = 0.0038760 k( 44) = ( 0.0000000 0.3721283 0.6414683), wk = 0.0038760 k( 45) = ( 0.0000000 0.3876337 0.6473628), wk = 0.0038760 k( 46) = ( 0.0000000 0.4031390 0.6532573), wk = 0.0038760 k( 47) = ( 0.0000000 0.4186443 0.6591518), wk = 0.0038760 k( 48) = ( 0.0000000 0.4341497 0.6650464), wk = 0.0038760 k( 49) = ( 0.0000000 0.4496550 0.6709409), wk = 0.0038760 k( 50) = ( 0.0000000 0.4651604 0.6768354), wk = 0.0038760 k( 51) = ( 0.0000000 0.4651604 0.6768354), wk = 0.0038760 k( 52) = ( 0.0000000 0.4695153 0.6547310), wk = 0.0038760 k( 53) = ( 0.0000000 0.4738703 0.6326265), wk = 0.0038760 k( 54) = ( 0.0000000 0.4782252 0.6105221), wk = 0.0038760 k( 55) = ( 0.0000000 0.4825802 0.5884177), wk = 0.0038760 k( 56) = ( 0.0000000 0.4869351 0.5663133), wk = 0.0038760 k( 57) = ( 0.0000000 0.4912901 0.5442088), wk = 0.0038760 k( 58) = ( 0.0000000 0.4956451 0.5221044), wk = 0.0038760 k( 59) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038760 k( 60) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038760 k( 61) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0038760 k( 62) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0038760 k( 63) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0038760 k( 64) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0038760 k( 65) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0038760 k( 66) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0038760 k( 67) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0038760 k( 68) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0038760 k( 69) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0038760 k( 70) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0038760 k( 71) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0038760 k( 72) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0038760 k( 73) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0038760 k( 74) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0038760 k( 75) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0038760 k( 76) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0038760 k( 77) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0038760 k( 78) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0038760 k( 79) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0038760 k( 80) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0038760 k( 81) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0038760 k( 82) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0038760 k( 83) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0038760 k( 84) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0038760 k( 85) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0038760 k( 86) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0038760 k( 87) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0038760 k( 88) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0038760 k( 89) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0038760 k( 90) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0038760 k( 91) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0038760 k( 92) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0038760 k( 93) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0038760 k( 94) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0038760 k( 95) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0038760 k( 96) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0038760 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 99) = ( 0.5000000 0.5043550 0.4778956), wk = 0.0038760 k( 100) = ( 0.5000000 0.5087099 0.4557912), wk = 0.0038760 k( 101) = ( 0.5000000 0.5130649 0.4336867), wk = 0.0038760 k( 102) = ( 0.5000000 0.5174198 0.4115823), wk = 0.0038760 k( 103) = ( 0.5000000 0.5217748 0.3894779), wk = 0.0038760 k( 104) = ( 0.5000000 0.5261297 0.3673735), wk = 0.0038760 k( 105) = ( 0.5000000 0.5304847 0.3452690), wk = 0.0038760 k( 106) = ( 0.5000000 0.5348396 0.3231646), wk = 0.0038760 k( 107) = ( 0.5000000 0.5348396 0.3231646), wk = 0.0038760 k( 108) = ( 0.5000000 0.5319363 0.2962342), wk = 0.0038760 k( 109) = ( 0.5000000 0.5290330 0.2693039), wk = 0.0038760 k( 110) = ( 0.5000000 0.5261297 0.2423735), wk = 0.0038760 k( 111) = ( 0.5000000 0.5232264 0.2154431), wk = 0.0038760 k( 112) = ( 0.5000000 0.5203231 0.1885127), wk = 0.0038760 k( 113) = ( 0.5000000 0.5174198 0.1615823), wk = 0.0038760 k( 114) = ( 0.5000000 0.5145165 0.1346519), wk = 0.0038760 k( 115) = ( 0.5000000 0.5116132 0.1077215), wk = 0.0038760 k( 116) = ( 0.5000000 0.5087099 0.0807912), wk = 0.0038760 k( 117) = ( 0.5000000 0.5058066 0.0538608), wk = 0.0038760 k( 118) = ( 0.5000000 0.5029033 0.0269304), wk = 0.0038760 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038760 k( 120) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038760 k( 121) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0038760 k( 122) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0038760 k( 123) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0038760 k( 124) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0038760 k( 125) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0038760 k( 126) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0038760 k( 127) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0038760 k( 128) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0038760 k( 129) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0038760 k( 130) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0038760 k( 131) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0038760 k( 132) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0038760 k( 133) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0038760 k( 134) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0038760 k( 135) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0038760 k( 136) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0038760 k( 137) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0038760 k( 138) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0038760 k( 139) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0038760 k( 140) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0038760 k( 141) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0038760 k( 142) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0038760 k( 143) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0038760 k( 144) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0038760 k( 145) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0038760 k( 146) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0038760 k( 147) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0038760 k( 148) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0038760 k( 149) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0038760 k( 150) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0038760 k( 151) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0038760 k( 152) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0038760 k( 153) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0038760 k( 154) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0038760 k( 155) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0038760 k( 156) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0038760 k( 157) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 158) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 159) = ( 0.0000000 0.5029033 0.0269304), wk = 0.0038760 k( 160) = ( 0.0000000 0.5058066 0.0538608), wk = 0.0038760 k( 161) = ( 0.0000000 0.5087099 0.0807912), wk = 0.0038760 k( 162) = ( 0.0000000 0.5116132 0.1077215), wk = 0.0038760 k( 163) = ( 0.0000000 0.5145165 0.1346519), wk = 0.0038760 k( 164) = ( 0.0000000 0.5174198 0.1615823), wk = 0.0038760 k( 165) = ( 0.0000000 0.5203231 0.1885127), wk = 0.0038760 k( 166) = ( 0.0000000 0.5232264 0.2154431), wk = 0.0038760 k( 167) = ( 0.0000000 0.5261297 0.2423735), wk = 0.0038760 k( 168) = ( 0.0000000 0.5290330 0.2693039), wk = 0.0038760 k( 169) = ( 0.0000000 0.5319363 0.2962342), wk = 0.0038760 k( 170) = ( 0.0000000 0.5348396 0.3231646), wk = 0.0038760 k( 171) = ( 0.5000000 0.4651604 0.6768354), wk = 0.0038760 k( 172) = ( 0.5000000 0.4496550 0.6709409), wk = 0.0038760 k( 173) = ( 0.5000000 0.4341497 0.6650464), wk = 0.0038760 k( 174) = ( 0.5000000 0.4186443 0.6591518), wk = 0.0038760 k( 175) = ( 0.5000000 0.4031390 0.6532573), wk = 0.0038760 k( 176) = ( 0.5000000 0.3876337 0.6473628), wk = 0.0038760 k( 177) = ( 0.5000000 0.3721283 0.6414683), wk = 0.0038760 k( 178) = ( 0.5000000 0.3566229 0.6355738), wk = 0.0038760 k( 179) = ( 0.5000000 0.3411176 0.6296793), wk = 0.0038760 k( 180) = ( 0.5000000 0.3256123 0.6237848), wk = 0.0038760 k( 181) = ( 0.5000000 0.3101069 0.6178903), wk = 0.0038760 k( 182) = ( 0.5000000 0.2946016 0.6119957), wk = 0.0038760 k( 183) = ( 0.5000000 0.2790962 0.6061012), wk = 0.0038760 k( 184) = ( 0.5000000 0.2635909 0.6002067), wk = 0.0038760 k( 185) = ( 0.5000000 0.2480855 0.5943122), wk = 0.0038760 k( 186) = ( 0.5000000 0.2325802 0.5884177), wk = 0.0038760 k( 187) = ( 0.5000000 0.2170748 0.5825232), wk = 0.0038760 k( 188) = ( 0.5000000 0.2015695 0.5766287), wk = 0.0038760 k( 189) = ( 0.5000000 0.1860642 0.5707342), wk = 0.0038760 k( 190) = ( 0.5000000 0.1705588 0.5648396), wk = 0.0038760 k( 191) = ( 0.5000000 0.1550535 0.5589451), wk = 0.0038760 k( 192) = ( 0.5000000 0.1395481 0.5530506), wk = 0.0038760 k( 193) = ( 0.5000000 0.1240428 0.5471561), wk = 0.0038760 k( 194) = ( 0.5000000 0.1085374 0.5412616), wk = 0.0038760 k( 195) = ( 0.5000000 0.0930321 0.5353671), wk = 0.0038760 k( 196) = ( 0.5000000 0.0775267 0.5294726), wk = 0.0038760 k( 197) = ( 0.5000000 0.0620214 0.5235781), wk = 0.0038760 k( 198) = ( 0.5000000 0.0465160 0.5176835), wk = 0.0038760 k( 199) = ( 0.5000000 0.0310107 0.5117890), wk = 0.0038760 k( 200) = ( 0.5000000 0.0155054 0.5058945), wk = 0.0038760 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 k( 203) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0038760 k( 204) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0038760 k( 205) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0038760 k( 206) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0038760 k( 207) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0038760 k( 208) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038760 k( 209) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0038760 k( 210) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0038760 k( 211) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0038760 k( 212) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0038760 k( 213) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0038760 k( 214) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038760 k( 215) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0038760 k( 216) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0038760 k( 217) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0038760 k( 218) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0038760 k( 219) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0038760 k( 220) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038760 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 222) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0038760 k( 223) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0038760 k( 224) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0038760 k( 225) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0038760 k( 226) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0038760 k( 227) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0038760 k( 228) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0038760 k( 229) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0038760 k( 230) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0038760 k( 231) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0038760 k( 232) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0038760 k( 233) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0038760 k( 234) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0038760 k( 235) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0038760 k( 236) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0038760 k( 237) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0038760 k( 238) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0038760 k( 239) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0038760 k( 240) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0038760 k( 241) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0038760 k( 242) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0038760 k( 243) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0038760 k( 244) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0038760 k( 245) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0038760 k( 246) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0038760 k( 247) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0038760 k( 248) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0038760 k( 249) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0038760 k( 250) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0038760 k( 251) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0038760 k( 252) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0038760 k( 253) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0038760 k( 254) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0038760 k( 255) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0038760 k( 256) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0038760 k( 257) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0038760 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 Dense grid: 91289 G-vectors FFT dimensions: ( 45, 48, 90) Smooth grid: 43425 G-vectors FFT dimensions: ( 36, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 334, 48) NL pseudopotentials 0.52 Mb ( 167, 204) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2538) G-vector shells 0.02 Mb ( 2351) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 334, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./SrSb2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.8 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.5 secs Computing kpt #: 31 total cpu time spent up to now is 17.0 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.8 secs Computing kpt #: 35 total cpu time spent up to now is 19.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.9 secs Computing kpt #: 38 total cpu time spent up to now is 21.3 secs Computing kpt #: 39 total cpu time spent up to now is 21.8 secs Computing kpt #: 40 total cpu time spent up to now is 22.2 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.1 secs Computing kpt #: 43 total cpu time spent up to now is 23.5 secs Computing kpt #: 44 total cpu time spent up to now is 23.9 secs Computing kpt #: 45 total cpu time spent up to now is 24.4 secs Computing kpt #: 46 total cpu time spent up to now is 24.8 secs Computing kpt #: 47 total cpu time spent up to now is 25.2 secs Computing kpt #: 48 total cpu time spent up to now is 25.7 secs Computing kpt #: 49 total cpu time spent up to now is 26.1 secs Computing kpt #: 50 total cpu time spent up to now is 26.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.9 secs Computing kpt #: 52 total cpu time spent up to now is 27.4 secs Computing kpt #: 53 total cpu time spent up to now is 27.8 secs Computing kpt #: 54 total cpu time spent up to now is 28.2 secs Computing kpt #: 55 total cpu time spent up to now is 28.7 secs Computing kpt #: 56 total cpu time spent up to now is 29.1 secs Computing kpt #: 57 total cpu time spent up to now is 29.5 secs Computing kpt #: 58 total cpu time spent up to now is 29.9 secs Computing kpt #: 59 total cpu time spent up to now is 30.4 secs Computing kpt #: 60 total cpu time spent up to now is 30.8 secs Computing kpt #: 61 total cpu time spent up to now is 31.2 secs Computing kpt #: 62 total cpu time spent up to now is 31.6 secs Computing kpt #: 63 total cpu time spent up to now is 32.1 secs Computing kpt #: 64 total cpu time spent up to now is 32.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.0 secs Computing kpt #: 66 total cpu time spent up to now is 33.4 secs Computing kpt #: 67 total cpu time spent up to now is 33.9 secs Computing kpt #: 68 total cpu time spent up to now is 34.3 secs Computing kpt #: 69 total cpu time spent up to now is 34.8 secs Computing kpt #: 70 total cpu time spent up to now is 35.3 secs Computing kpt #: 71 total cpu time spent up to now is 35.7 secs Computing kpt #: 72 total cpu time spent up to now is 36.2 secs Computing kpt #: 73 total cpu time spent up to now is 36.6 secs Computing kpt #: 74 total cpu time spent up to now is 37.2 secs Computing kpt #: 75 total cpu time spent up to now is 37.8 secs Computing kpt #: 76 total cpu time spent up to now is 38.4 secs Computing kpt #: 77 total cpu time spent up to now is 38.9 secs Computing kpt #: 78 total cpu time spent up to now is 39.5 secs Computing kpt #: 79 total cpu time spent up to now is 40.0 secs Computing kpt #: 80 total cpu time spent up to now is 40.6 secs Computing kpt #: 81 total cpu time spent up to now is 41.1 secs Computing kpt #: 82 total cpu time spent up to now is 41.7 secs Computing kpt #: 83 total cpu time spent up to now is 42.3 secs Computing kpt #: 84 total cpu time spent up to now is 43.2 secs Computing kpt #: 85 total cpu time spent up to now is 43.7 secs Computing kpt #: 86 total cpu time spent up to now is 44.3 secs Computing kpt #: 87 total cpu time spent up to now is 44.9 secs Computing kpt #: 88 total cpu time spent up to now is 45.4 secs Computing kpt #: 89 total cpu time spent up to now is 46.0 secs Computing kpt #: 90 total cpu time spent up to now is 46.6 secs Computing kpt #: 91 total cpu time spent up to now is 47.1 secs Computing kpt #: 92 total cpu time spent up to now is 47.5 secs Computing kpt #: 93 total cpu time spent up to now is 48.0 secs Computing kpt #: 94 total cpu time spent up to now is 48.5 secs Computing kpt #: 95 total cpu time spent up to now is 49.0 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 49.9 secs Computing kpt #: 98 total cpu time spent up to now is 50.4 secs Computing kpt #: 99 total cpu time spent up to now is 50.8 secs Computing kpt #: 100 total cpu time spent up to now is 51.3 secs Computing kpt #: 101 total cpu time spent up to now is 51.8 secs Computing kpt #: 102 total cpu time spent up to now is 52.2 secs Computing kpt #: 103 total cpu time spent up to now is 52.7 secs Computing kpt #: 104 total cpu time spent up to now is 53.2 secs Computing kpt #: 105 total cpu time spent up to now is 53.6 secs Computing kpt #: 106 total cpu time spent up to now is 54.1 secs Computing kpt #: 107 total cpu time spent up to now is 54.6 secs Computing kpt #: 108 total cpu time spent up to now is 55.1 secs Computing kpt #: 109 total cpu time spent up to now is 55.5 secs Computing kpt #: 110 total cpu time spent up to now is 56.0 secs Computing kpt #: 111 total cpu time spent up to now is 56.5 secs Computing kpt #: 112 total cpu time spent up to now is 57.0 secs Computing kpt #: 113 total cpu time spent up to now is 57.4 secs Computing kpt #: 114 total cpu time spent up to now is 57.9 secs Computing kpt #: 115 total cpu time spent up to now is 58.3 secs Computing kpt #: 116 total cpu time spent up to now is 58.7 secs Computing kpt #: 117 total cpu time spent up to now is 59.2 secs Computing kpt #: 118 total cpu time spent up to now is 59.6 secs Computing kpt #: 119 total cpu time spent up to now is 60.1 secs Computing kpt #: 120 total cpu time spent up to now is 60.5 secs Computing kpt #: 121 total cpu time spent up to now is 60.9 secs Computing kpt #: 122 total cpu time spent up to now is 61.4 secs Computing kpt #: 123 total cpu time spent up to now is 61.8 secs Computing kpt #: 124 total cpu time spent up to now is 62.3 secs Computing kpt #: 125 total cpu time spent up to now is 62.8 secs Computing kpt #: 126 total cpu time spent up to now is 63.3 secs Computing kpt #: 127 total cpu time spent up to now is 63.8 secs Computing kpt #: 128 total cpu time spent up to now is 64.3 secs Computing kpt #: 129 total cpu time spent up to now is 64.8 secs Computing kpt #: 130 total cpu time spent up to now is 65.4 secs Computing kpt #: 131 total cpu time spent up to now is 65.9 secs Computing kpt #: 132 total cpu time spent up to now is 66.5 secs Computing kpt #: 133 total cpu time spent up to now is 67.0 secs Computing kpt #: 134 total cpu time spent up to now is 67.6 secs Computing kpt #: 135 total cpu time spent up to now is 68.1 secs Computing kpt #: 136 total cpu time spent up to now is 68.7 secs Computing kpt #: 137 total cpu time spent up to now is 69.3 secs Computing kpt #: 138 total cpu time spent up to now is 69.9 secs Computing kpt #: 139 total cpu time spent up to now is 70.5 secs Computing kpt #: 140 total cpu time spent up to now is 71.0 secs Computing kpt #: 141 total cpu time spent up to now is 71.6 secs Computing kpt #: 142 total cpu time spent up to now is 72.1 secs Computing kpt #: 143 total cpu time spent up to now is 72.7 secs Computing kpt #: 144 total cpu time spent up to now is 73.2 secs Computing kpt #: 145 total cpu time spent up to now is 73.7 secs Computing kpt #: 146 total cpu time spent up to now is 74.3 secs Computing kpt #: 147 total cpu time spent up to now is 74.7 secs Computing kpt #: 148 total cpu time spent up to now is 75.2 secs Computing kpt #: 149 total cpu time spent up to now is 75.7 secs Computing kpt #: 150 total cpu time spent up to now is 76.1 secs Computing kpt #: 151 total cpu time spent up to now is 76.5 secs Computing kpt #: 152 total cpu time spent up to now is 77.0 secs Computing kpt #: 153 total cpu time spent up to now is 77.4 secs Computing kpt #: 154 total cpu time spent up to now is 78.1 secs Computing kpt #: 155 total cpu time spent up to now is 78.6 secs Computing kpt #: 156 total cpu time spent up to now is 79.0 secs Computing kpt #: 157 total cpu time spent up to now is 79.4 secs Computing kpt #: 158 total cpu time spent up to now is 79.9 secs Computing kpt #: 159 total cpu time spent up to now is 80.3 secs Computing kpt #: 160 total cpu time spent up to now is 80.7 secs Computing kpt #: 161 total cpu time spent up to now is 81.2 secs Computing kpt #: 162 total cpu time spent up to now is 81.6 secs Computing kpt #: 163 total cpu time spent up to now is 82.0 secs Computing kpt #: 164 total cpu time spent up to now is 82.5 secs Computing kpt #: 165 total cpu time spent up to now is 82.9 secs Computing kpt #: 166 total cpu time spent up to now is 83.3 secs Computing kpt #: 167 total cpu time spent up to now is 83.7 secs Computing kpt #: 168 total cpu time spent up to now is 84.2 secs Computing kpt #: 169 total cpu time spent up to now is 84.6 secs Computing kpt #: 170 total cpu time spent up to now is 85.0 secs Computing kpt #: 171 total cpu time spent up to now is 85.5 secs Computing kpt #: 172 total cpu time spent up to now is 86.0 secs Computing kpt #: 173 total cpu time spent up to now is 86.5 secs Computing kpt #: 174 total cpu time spent up to now is 87.1 secs Computing kpt #: 175 total cpu time spent up to now is 87.7 secs Computing kpt #: 176 total cpu time spent up to now is 88.3 secs Computing kpt #: 177 total cpu time spent up to now is 88.9 secs Computing kpt #: 178 total cpu time spent up to now is 89.5 secs Computing kpt #: 179 total cpu time spent up to now is 90.1 secs Computing kpt #: 180 total cpu time spent up to now is 90.7 secs Computing kpt #: 181 total cpu time spent up to now is 91.3 secs Computing kpt #: 182 total cpu time spent up to now is 91.8 secs Computing kpt #: 183 total cpu time spent up to now is 92.3 secs Computing kpt #: 184 total cpu time spent up to now is 92.8 secs Computing kpt #: 185 total cpu time spent up to now is 93.3 secs Computing kpt #: 186 total cpu time spent up to now is 93.8 secs Computing kpt #: 187 total cpu time spent up to now is 94.3 secs Computing kpt #: 188 total cpu time spent up to now is 94.7 secs Computing kpt #: 189 total cpu time spent up to now is 95.2 secs Computing kpt #: 190 total cpu time spent up to now is 95.7 secs Computing kpt #: 191 total cpu time spent up to now is 96.1 secs Computing kpt #: 192 total cpu time spent up to now is 96.6 secs Computing kpt #: 193 total cpu time spent up to now is 97.1 secs Computing kpt #: 194 total cpu time spent up to now is 97.6 secs Computing kpt #: 195 total cpu time spent up to now is 98.1 secs Computing kpt #: 196 total cpu time spent up to now is 98.6 secs Computing kpt #: 197 total cpu time spent up to now is 99.0 secs Computing kpt #: 198 total cpu time spent up to now is 99.5 secs Computing kpt #: 199 total cpu time spent up to now is 100.0 secs Computing kpt #: 200 total cpu time spent up to now is 100.4 secs Computing kpt #: 201 total cpu time spent up to now is 100.9 secs Computing kpt #: 202 total cpu time spent up to now is 101.4 secs Computing kpt #: 203 total cpu time spent up to now is 101.8 secs Computing kpt #: 204 total cpu time spent up to now is 102.3 secs Computing kpt #: 205 total cpu time spent up to now is 102.8 secs Computing kpt #: 206 total cpu time spent up to now is 103.2 secs Computing kpt #: 207 total cpu time spent up to now is 103.7 secs Computing kpt #: 208 total cpu time spent up to now is 104.1 secs Computing kpt #: 209 total cpu time spent up to now is 104.6 secs Computing kpt #: 210 total cpu time spent up to now is 105.0 secs Computing kpt #: 211 total cpu time spent up to now is 105.5 secs Computing kpt #: 212 total cpu time spent up to now is 105.9 secs Computing kpt #: 213 total cpu time spent up to now is 106.3 secs Computing kpt #: 214 total cpu time spent up to now is 106.8 secs Computing kpt #: 215 total cpu time spent up to now is 107.2 secs Computing kpt #: 216 total cpu time spent up to now is 107.6 secs Computing kpt #: 217 total cpu time spent up to now is 108.1 secs Computing kpt #: 218 total cpu time spent up to now is 108.5 secs Computing kpt #: 219 total cpu time spent up to now is 108.9 secs Computing kpt #: 220 total cpu time spent up to now is 109.4 secs Computing kpt #: 221 total cpu time spent up to now is 109.8 secs Computing kpt #: 222 total cpu time spent up to now is 110.3 secs Computing kpt #: 223 total cpu time spent up to now is 110.7 secs Computing kpt #: 224 total cpu time spent up to now is 111.2 secs Computing kpt #: 225 total cpu time spent up to now is 111.6 secs Computing kpt #: 226 total cpu time spent up to now is 112.1 secs Computing kpt #: 227 total cpu time spent up to now is 112.5 secs Computing kpt #: 228 total cpu time spent up to now is 113.2 secs Computing kpt #: 229 total cpu time spent up to now is 113.8 secs Computing kpt #: 230 total cpu time spent up to now is 114.4 secs Computing kpt #: 231 total cpu time spent up to now is 115.0 secs Computing kpt #: 232 total cpu time spent up to now is 115.7 secs Computing kpt #: 233 total cpu time spent up to now is 116.3 secs Computing kpt #: 234 total cpu time spent up to now is 117.0 secs Computing kpt #: 235 total cpu time spent up to now is 117.7 secs Computing kpt #: 236 total cpu time spent up to now is 118.4 secs Computing kpt #: 237 total cpu time spent up to now is 119.0 secs Computing kpt #: 238 total cpu time spent up to now is 119.7 secs Computing kpt #: 239 total cpu time spent up to now is 120.4 secs Computing kpt #: 240 total cpu time spent up to now is 121.0 secs Computing kpt #: 241 total cpu time spent up to now is 121.7 secs Computing kpt #: 242 total cpu time spent up to now is 122.3 secs Computing kpt #: 243 total cpu time spent up to now is 123.0 secs Computing kpt #: 244 total cpu time spent up to now is 123.6 secs Computing kpt #: 245 total cpu time spent up to now is 124.2 secs Computing kpt #: 246 total cpu time spent up to now is 124.9 secs Computing kpt #: 247 total cpu time spent up to now is 125.5 secs Computing kpt #: 248 total cpu time spent up to now is 126.1 secs Computing kpt #: 249 total cpu time spent up to now is 126.8 secs Computing kpt #: 250 total cpu time spent up to now is 127.4 secs Computing kpt #: 251 total cpu time spent up to now is 128.1 secs Computing kpt #: 252 total cpu time spent up to now is 128.6 secs Computing kpt #: 253 total cpu time spent up to now is 129.2 secs Computing kpt #: 254 total cpu time spent up to now is 129.7 secs Computing kpt #: 255 total cpu time spent up to now is 130.1 secs Computing kpt #: 256 total cpu time spent up to now is 130.6 secs Computing kpt #: 257 total cpu time spent up to now is 131.1 secs Computing kpt #: 258 total cpu time spent up to now is 131.5 secs ethr = 2.50E-08, avg # of iterations = 20.9 total cpu time spent up to now is 131.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5419 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9531 -10.9531 -10.9234 -10.9234 -9.8707 -9.8707 -9.8183 -9.8183 -9.7625 -9.7625 -9.7431 -9.7431 -3.9877 -3.9877 -3.2865 -3.2865 -0.5470 -0.5470 1.0380 1.0380 4.3249 4.3249 4.4562 4.4562 4.8451 4.8451 4.9781 4.9781 5.1087 5.1087 5.3301 5.3301 6.9564 6.9564 7.7134 7.7134 7.8532 7.8532 8.5200 8.5200 8.9249 8.9249 8.9630 8.9630 k = 0.0000 0.0000 0.0132 ( 5419 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9531 -10.9531 -10.9235 -10.9235 -9.8706 -9.8706 -9.8183 -9.8183 -9.7624 -9.7624 -9.7431 -9.7431 -3.9867 -3.9867 -3.2882 -3.2882 -0.5450 -0.5450 1.0374 1.0374 4.3224 4.3224 4.4421 4.4421 4.8523 4.8523 4.9774 4.9774 5.1149 5.1149 5.3353 5.3353 6.9564 6.9564 7.7113 7.7113 7.8528 7.8528 8.5212 8.5212 8.9235 8.9235 8.9681 8.9681 k = 0.0000 0.0000 0.0265 ( 5423 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9530 -10.9530 -10.9236 -10.9236 -9.8704 -9.8704 -9.8185 -9.8185 -9.7624 -9.7624 -9.7432 -9.7432 -3.9835 -3.9835 -3.2936 -3.2936 -0.5389 -0.5389 1.0356 1.0356 4.3116 4.3116 4.4084 4.4084 4.8692 4.8692 4.9759 4.9759 5.1309 5.1309 5.3523 5.3523 6.9566 6.9566 7.7055 7.7055 7.8516 7.8516 8.5250 8.5250 8.9213 8.9213 8.9807 8.9807 k = 0.0000 0.0000 0.0397 ( 5422 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9528 -10.9528 -10.9237 -10.9237 -9.8700 -9.8700 -9.8189 -9.8189 -9.7623 -9.7623 -9.7434 -9.7434 -3.9783 -3.9783 -3.3023 -3.3023 -0.5289 -0.5289 1.0327 1.0327 4.2809 4.2809 4.3770 4.3770 4.8880 4.8880 4.9741 4.9741 5.1500 5.1500 5.3847 5.3847 6.9565 6.9565 7.6965 7.6965 7.8497 7.8497 8.5319 8.5319 8.9207 8.9207 8.9971 8.9971 k = 0.0000 0.0000 0.0529 ( 5429 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9525 -10.9525 -10.9240 -10.9240 -9.8694 -9.8694 -9.8193 -9.8193 -9.7622 -9.7622 -9.7436 -9.7436 -3.9709 -3.9709 -3.3144 -3.3144 -0.5152 -0.5152 1.0287 1.0287 4.2247 4.2247 4.3620 4.3620 4.9043 4.9043 4.9728 4.9728 5.1654 5.1654 5.4344 5.4344 6.9557 6.9557 7.6856 7.6856 7.8470 7.8470 8.5422 8.5422 8.9220 8.9220 9.0147 9.0147 k = 0.0000 0.0000 0.0661 ( 5433 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9522 -10.9522 -10.9243 -10.9243 -9.8687 -9.8687 -9.8200 -9.8200 -9.7621 -9.7621 -9.7439 -9.7439 -3.9615 -3.9615 -3.3295 -3.3295 -0.4983 -0.4983 1.0236 1.0236 4.1554 4.1554 4.3562 4.3562 4.9173 4.9173 4.9724 4.9724 5.1746 5.1746 5.4994 5.4994 6.9533 6.9533 7.6743 7.6743 7.8439 7.8439 8.5560 8.5560 8.9248 8.9248 9.0311 9.0311 k = 0.0000 0.0000 0.0794 ( 5418 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9518 -10.9518 -10.9247 -10.9247 -9.8679 -9.8679 -9.8207 -9.8207 -9.7619 -9.7619 -9.7443 -9.7443 -3.9501 -3.9501 -3.3476 -3.3476 -0.4785 -0.4785 1.0175 1.0175 4.0821 4.0821 4.3537 4.3537 4.9273 4.9273 4.9733 4.9733 5.1781 5.1781 5.5749 5.5749 6.9483 6.9483 7.6642 7.6642 7.8407 7.8407 8.5730 8.5730 8.9280 8.9280 9.0446 9.0446 k = 0.0000 0.0000 0.0926 ( 5412 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9513 -10.9513 -10.9251 -10.9251 -9.8670 -9.8670 -9.8215 -9.8215 -9.7618 -9.7618 -9.7447 -9.7447 -3.9368 -3.9368 -3.3682 -3.3682 -0.4564 -0.4564 1.0105 1.0105 4.0087 4.0087 4.3526 4.3526 4.9346 4.9346 4.9759 4.9759 5.1775 5.1775 5.6567 5.6567 6.9397 6.9397 7.6569 7.6569 7.8381 7.8381 8.5923 8.5923 8.9301 8.9301 9.0545 9.0545 k = 0.0000 0.0000 0.1058 ( 5410 PWs) bands (ev): -28.1073 -28.1073 -28.1037 -28.1037 -10.9509 -10.9509 -10.9256 -10.9256 -9.8659 -9.8659 -9.8224 -9.8224 -9.7616 -9.7616 -9.7451 -9.7451 -3.9215 -3.9215 -3.3911 -3.3911 -0.4326 -0.4326 1.0027 1.0027 3.9377 3.9377 4.3521 4.3521 4.9397 4.9397 4.9803 4.9803 5.1740 5.1740 5.7414 5.7414 6.9264 6.9264 7.6539 7.6539 7.8369 7.8369 8.6119 8.6119 8.9294 8.9294 9.0611 9.0611 k = 0.0000 0.0000 0.1191 ( 5417 PWs) bands (ev): -28.1072 -28.1072 -28.1037 -28.1037 -10.9503 -10.9503 -10.9261 -10.9261 -9.8648 -9.8648 -9.8235 -9.8235 -9.7614 -9.7614 -9.7456 -9.7456 -3.9044 -3.9044 -3.4159 -3.4159 -0.4078 -0.4078 0.9943 0.9943 3.8704 3.8704 4.3520 4.3520 4.9430 4.9430 4.9864 4.9864 5.1685 5.1685 5.8270 5.8270 6.9076 6.9076 7.6558 7.6558 7.8385 7.8385 8.6288 8.6288 8.9249 8.9249 9.0663 9.0663 k = 0.0000 0.0000 0.1323 ( 5422 PWs) bands (ev): -28.1072 -28.1072 -28.1037 -28.1037 -10.9498 -10.9498 -10.9266 -10.9266 -9.8636 -9.8636 -9.8245 -9.8245 -9.7612 -9.7612 -9.7460 -9.7460 -3.8855 -3.8855 -3.4425 -3.4425 -0.3825 -0.3825 0.9855 0.9855 3.8078 3.8078 4.3520 4.3520 4.9449 4.9449 4.9940 4.9940 5.1615 5.1615 5.9118 5.9118 6.8827 6.8827 7.6619 7.6619 7.8448 7.8448 8.6380 8.6380 8.9178 8.9178 9.0721 9.0721 k = 0.0000 0.0000 0.1455 ( 5433 PWs) bands (ev): -28.1072 -28.1072 -28.1037 -28.1037 -10.9492 -10.9492 -10.9272 -10.9272 -9.8623 -9.8623 -9.8257 -9.8257 -9.7609 -9.7609 -9.7465 -9.7465 -3.8649 -3.8649 -3.4704 -3.4704 -0.3577 -0.3577 0.9765 0.9765 3.7507 3.7507 4.3522 4.3522 4.9461 4.9461 5.0025 5.0025 5.1532 5.1532 5.9950 5.9950 6.8518 6.8518 7.6707 7.6707 7.8583 7.8583 8.6333 8.6333 8.9127 8.9127 9.0794 9.0794 k = 0.0000 0.0000 0.1587 ( 5435 PWs) bands (ev): -28.1072 -28.1072 -28.1037 -28.1037 -10.9486 -10.9486 -10.9277 -10.9277 -9.8611 -9.8611 -9.8268 -9.8268 -9.7607 -9.7607 -9.7469 -9.7469 -3.8428 -3.8428 -3.4994 -3.4994 -0.3340 -0.3340 0.9677 0.9677 3.7000 3.7000 4.3524 4.3524 4.9469 4.9469 5.0117 5.0117 5.1442 5.1442 6.0757 6.0757 6.8152 6.8152 7.6796 7.6796 7.8813 7.8813 8.6096 8.6096 8.9147 8.9147 9.0881 9.0881 k = 0.0000 0.0000 0.1720 ( 5435 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9481 -10.9481 -10.9282 -10.9282 -9.8599 -9.8599 -9.8279 -9.8279 -9.7605 -9.7605 -9.7473 -9.7473 -3.8191 -3.8191 -3.5291 -3.5291 -0.3123 -0.3123 0.9594 0.9594 3.6561 3.6561 4.3526 4.3526 4.9473 4.9473 5.0215 5.0215 5.1344 5.1344 6.1536 6.1536 6.7736 6.7736 7.6867 7.6867 7.9156 7.9156 8.5673 8.5673 8.9246 8.9246 9.0972 9.0972 k = 0.0000 0.0000 0.1852 ( 5435 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9476 -10.9476 -10.9287 -10.9287 -9.8588 -9.8588 -9.8289 -9.8289 -9.7603 -9.7603 -9.7477 -9.7477 -3.7942 -3.7942 -3.5593 -3.5593 -0.2932 -0.2932 0.9519 0.9519 3.6196 3.6196 4.3529 4.3529 4.9476 4.9476 5.0316 5.0316 5.1242 5.1242 6.2284 6.2284 6.7275 6.7275 7.6913 7.6913 7.9608 7.9608 8.5107 8.5107 8.9390 8.9390 9.1060 9.1060 k = 0.0000 0.0000 0.1984 ( 5428 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9472 -10.9472 -10.9291 -10.9291 -9.8578 -9.8578 -9.8298 -9.8298 -9.7602 -9.7602 -9.7480 -9.7480 -3.7681 -3.7681 -3.5896 -3.5896 -0.2775 -0.2775 0.9456 0.9456 3.5907 3.5907 4.3531 4.3531 4.9478 4.9478 5.0420 5.0420 5.1138 5.1138 6.2998 6.2998 6.6778 6.6778 7.6939 7.6939 8.0155 8.0155 8.4447 8.4447 8.9541 8.9541 9.1135 9.1135 k = 0.0000 0.0000 0.2117 ( 5428 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9469 -10.9469 -10.9294 -10.9294 -9.8570 -9.8570 -9.8305 -9.8305 -9.7601 -9.7601 -9.7482 -9.7482 -3.7411 -3.7411 -3.6196 -3.6196 -0.2659 -0.2659 0.9409 0.9409 3.5699 3.5699 4.3532 4.3532 4.9479 4.9479 5.0521 5.0521 5.1035 5.1035 6.3673 6.3673 6.6255 6.6255 7.6952 7.6952 8.0775 8.0775 8.3737 8.3737 8.9669 8.9669 9.1192 9.1192 k = 0.0000 0.0000 0.2249 ( 5425 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9295 -10.9295 -9.8566 -9.8566 -9.8310 -9.8310 -9.7600 -9.7600 -9.7483 -9.7483 -3.7141 -3.7141 -3.6485 -3.6485 -0.2587 -0.2587 0.9379 0.9379 3.5573 3.5573 4.3533 4.3533 4.9480 4.9480 5.0613 5.0613 5.0943 5.0943 6.4288 6.4288 6.5729 6.5729 7.6957 7.6957 8.1434 8.1434 8.3020 8.3020 8.9753 8.9753 9.1228 9.1228 k = 0.0000 0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9296 -10.9296 -9.8564 -9.8564 -9.8311 -9.8311 -9.7600 -9.7600 -9.7484 -9.7484 -3.6958 -3.6958 -3.6675 -3.6675 -0.2562 -0.2562 0.9369 0.9369 3.5531 3.5531 4.3533 4.3533 4.9480 4.9480 5.0658 5.0658 5.0897 5.0897 6.4653 6.4653 6.5393 6.5393 7.6958 7.6958 8.1922 8.1922 8.2512 8.2512 8.9782 8.9782 9.1240 9.1240 k = 0.0000 0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9296 -10.9296 -9.8564 -9.8564 -9.8311 -9.8311 -9.7600 -9.7600 -9.7484 -9.7484 -3.6958 -3.6958 -3.6675 -3.6675 -0.2562 -0.2562 0.9369 0.9369 3.5531 3.5531 4.3533 4.3533 4.9480 4.9480 5.0658 5.0658 5.0897 5.0897 6.4653 6.4653 6.5393 6.5393 7.6958 7.6958 8.1922 8.1922 8.2512 8.2512 8.9782 8.9782 9.1240 9.1240 k = 0.0000 0.0136 0.2381 ( 5423 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9297 -10.9297 -9.8564 -9.8564 -9.8312 -9.8312 -9.7600 -9.7600 -9.7484 -9.7484 -3.6948 -3.6948 -3.6668 -3.6668 -0.2555 -0.2555 0.9319 0.9319 3.5520 3.5520 4.3592 4.3592 4.9438 4.9438 5.0666 5.0666 5.0902 5.0902 6.4650 6.4650 6.5414 6.5414 7.6870 7.6870 8.1878 8.1878 8.2626 8.2626 8.9781 8.9781 9.1206 9.1206 k = 0.0000 0.0272 0.2381 ( 5430 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9468 -10.9468 -10.9298 -10.9298 -9.8566 -9.8566 -9.8315 -9.8315 -9.7601 -9.7601 -9.7484 -9.7484 -3.6918 -3.6918 -3.6650 -3.6650 -0.2534 -0.2534 0.9171 0.9171 3.5487 3.5487 4.3764 4.3764 4.9314 4.9314 5.0687 5.0687 5.0919 5.0919 6.4638 6.4638 6.5479 6.5479 7.6611 7.6611 8.1854 8.1854 8.2852 8.2852 8.9780 8.9780 9.1109 9.1109 k = 0.0000 0.0407 0.2381 ( 5431 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9469 -10.9469 -10.9299 -10.9299 -9.8568 -9.8568 -9.8319 -9.8319 -9.7602 -9.7602 -9.7485 -9.7485 -3.6868 -3.6868 -3.6619 -3.6619 -0.2500 -0.2500 0.8927 0.8927 3.5434 3.5434 4.4043 4.4043 4.9115 4.9115 5.0710 5.0710 5.0959 5.0959 6.4607 6.4607 6.5593 6.5593 7.6197 7.6197 8.1946 8.1946 8.3069 8.3069 8.9789 8.9789 9.0958 9.0958 k = 0.0000 0.0543 0.2381 ( 5429 PWs) bands (ev): -28.1071 -28.1071 -28.1037 -28.1037 -10.9471 -10.9471 -10.9302 -10.9302 -9.8571 -9.8571 -9.8324 -9.8324 -9.7604 -9.7604 -9.7486 -9.7486 -3.6799 -3.6799 -3.6576 -3.6576 -0.2452 -0.2452 0.8594 0.8594 3.5365 3.5365 4.4420 4.4420 4.8850 4.8850 5.0721 5.0721 5.1036 5.1036 6.4549 6.4549 6.5758 6.5758 7.5662 7.5662 8.2166 8.2166 8.3232 8.3232 8.9807 8.9807 9.0774 9.0774 k = 0.0000 0.0679 0.2381 ( 5429 PWs) bands (ev): -28.1071 -28.1071 -28.1037 -28.1037 -10.9473 -10.9473 -10.9305 -10.9305 -9.8574 -9.8574 -9.8331 -9.8331 -9.7607 -9.7607 -9.7487 -9.7487 -3.6711 -3.6711 -3.6521 -3.6521 -0.2392 -0.2392 0.8180 0.8180 3.5282 3.5282 4.4879 4.4879 4.8529 4.8529 5.0714 5.0714 5.1157 5.1157 6.4459 6.4459 6.5971 6.5971 7.5043 7.5043 8.2456 8.2456 8.3357 8.3357 8.9801 8.9801 9.0610 9.0610 k = 0.0000 0.0815 0.2381 ( 5418 PWs) bands (ev): -28.1071 -28.1071 -28.1037 -28.1037 -10.9475 -10.9475 -10.9309 -10.9309 -9.8579 -9.8579 -9.8340 -9.8340 -9.7610 -9.7610 -9.7488 -9.7488 -3.6605 -3.6605 -3.6453 -3.6453 -0.2320 -0.2320 0.7691 0.7691 3.5187 3.5187 4.5408 4.5408 4.8165 4.8165 5.0692 5.0692 5.1320 5.1320 6.4331 6.4331 6.6228 6.6228 7.4379 7.4379 8.2647 8.2647 8.3594 8.3594 8.9687 8.9687 9.0560 9.0560 k = 0.0000 0.0951 0.2381 ( 5414 PWs) bands (ev): -28.1071 -28.1071 -28.1037 -28.1037 -10.9479 -10.9479 -10.9314 -10.9314 -9.8584 -9.8584 -9.8350 -9.8350 -9.7613 -9.7613 -9.7489 -9.7489 -3.6484 -3.6484 -3.6372 -3.6372 -0.2237 -0.2237 0.7138 0.7138 3.5083 3.5083 4.5990 4.5990 4.7770 4.7770 5.0659 5.0659 5.1524 5.1524 6.4158 6.4158 6.6523 6.6523 7.3702 7.3702 8.2582 8.2582 8.4087 8.4087 8.9434 8.9434 9.0653 9.0653 k = 0.0000 0.1086 0.2381 ( 5416 PWs) bands (ev): -28.1070 -28.1070 -28.1036 -28.1036 -10.9482 -10.9482 -10.9319 -10.9319 -9.8590 -9.8590 -9.8362 -9.8362 -9.7617 -9.7617 -9.7490 -9.7490 -3.6355 -3.6355 -3.6270 -3.6270 -0.2144 -0.2144 0.6530 0.6530 3.4970 3.4970 4.6604 4.6604 4.7358 4.7358 5.0619 5.0619 5.1773 5.1773 6.3934 6.3934 6.6851 6.6851 7.3040 7.3040 8.2342 8.2342 8.4756 8.4756 8.9104 8.9104 9.0822 9.0822 k = 0.0000 0.1222 0.2381 ( 5422 PWs) bands (ev): -28.1070 -28.1070 -28.1036 -28.1036 -10.9486 -10.9486 -10.9325 -10.9325 -9.8597 -9.8597 -9.8375 -9.8375 -9.7620 -9.7620 -9.7491 -9.7491 -3.6235 -3.6235 -3.6133 -3.6133 -0.2043 -0.2043 0.5878 0.5878 3.4848 3.4848 4.6896 4.6896 4.7275 4.7275 5.0576 5.0576 5.2067 5.2067 6.3652 6.3652 6.7205 6.7205 7.2416 7.2416 8.2009 8.2009 8.5517 8.5517 8.8751 8.8751 9.1011 9.1011 k = 0.0000 0.1358 0.2381 ( 5425 PWs) bands (ev): -28.1070 -28.1070 -28.1036 -28.1036 -10.9490 -10.9490 -10.9331 -10.9331 -9.8605 -9.8605 -9.8389 -9.8389 -9.7624 -9.7624 -9.7492 -9.7492 -3.6124 -3.6124 -3.5962 -3.5962 -0.1937 -0.1937 0.5190 0.5190 3.4717 3.4717 4.6483 4.6483 4.7895 4.7895 5.0535 5.0535 5.2413 5.2413 6.3306 6.3306 6.7582 6.7582 7.1845 7.1845 8.1624 8.1624 8.6299 8.6299 8.8435 8.8435 9.1187 9.1187 k = 0.0000 0.1494 0.2381 ( 5417 PWs) bands (ev): -28.1069 -28.1069 -28.1035 -28.1035 -10.9495 -10.9495 -10.9338 -10.9338 -9.8614 -9.8614 -9.8404 -9.8404 -9.7628 -9.7628 -9.7493 -9.7493 -3.6011 -3.6011 -3.5769 -3.5769 -0.1827 -0.1827 0.4477 0.4477 3.4576 3.4576 4.6063 4.6063 4.8501 4.8501 5.0506 5.0506 5.2816 5.2816 6.2895 6.2895 6.7974 6.7974 7.1342 7.1342 8.1214 8.1214 8.6909 8.6909 8.8339 8.8339 9.1326 9.1326 k = 0.0000 0.1630 0.2381 ( 5420 PWs) bands (ev): -28.1069 -28.1069 -28.1035 -28.1035 -10.9500 -10.9500 -10.9345 -10.9345 -9.8623 -9.8623 -9.8420 -9.8420 -9.7632 -9.7632 -9.7494 -9.7494 -3.5894 -3.5894 -3.5559 -3.5559 -0.1719 -0.1719 0.3751 0.3751 3.4425 3.4425 4.5656 4.5656 4.9044 4.9044 5.0513 5.0513 5.3281 5.3281 6.2422 6.2422 6.8370 6.8370 7.0916 7.0916 8.0799 8.0799 8.6978 8.6978 8.8824 8.8824 9.1414 9.1414 k = 0.0000 0.1765 0.2381 ( 5419 PWs) bands (ev): -28.1068 -28.1068 -28.1034 -28.1034 -10.9505 -10.9505 -10.9352 -10.9352 -9.8632 -9.8632 -9.8437 -9.8437 -9.7636 -9.7636 -9.7494 -9.7494 -3.5772 -3.5772 -3.5335 -3.5335 -0.1619 -0.1619 0.3024 0.3024 3.4264 3.4264 4.5269 4.5269 4.9459 4.9459 5.0609 5.0609 5.3807 5.3807 6.1895 6.1895 6.8748 6.8748 7.0582 7.0582 8.0395 8.0395 8.6700 8.6700 8.9669 8.9669 9.1453 9.1453 k = 0.0000 0.1901 0.2381 ( 5411 PWs) bands (ev): -28.1068 -28.1068 -28.1034 -28.1034 -10.9510 -10.9510 -10.9360 -10.9360 -9.8642 -9.8642 -9.8454 -9.8454 -9.7640 -9.7640 -9.7494 -9.7494 -3.5647 -3.5647 -3.5096 -3.5096 -0.1539 -0.1539 0.2312 0.2312 3.4093 3.4093 4.4907 4.4907 4.9678 4.9678 5.0855 5.0855 5.4391 5.4391 6.1328 6.1328 6.9051 6.9051 7.0384 7.0384 8.0014 8.0014 8.6339 8.6339 9.0497 9.0497 9.1538 9.1538 k = 0.0000 0.2037 0.2381 ( 5410 PWs) bands (ev): -28.1067 -28.1067 -28.1033 -28.1033 -10.9516 -10.9516 -10.9368 -10.9368 -9.8653 -9.8653 -9.8473 -9.8473 -9.7644 -9.7644 -9.7493 -9.7493 -3.5520 -3.5520 -3.4846 -3.4846 -0.1499 -0.1499 0.1641 0.1641 3.3913 3.3913 4.4573 4.4573 4.9734 4.9734 5.1220 5.1220 5.5020 5.5020 6.0740 6.0740 6.9168 6.9168 7.0418 7.0418 7.9667 7.9667 8.5961 8.5961 9.0786 9.0786 9.2102 9.2102 k = 0.0000 0.2173 0.2381 ( 5407 PWs) bands (ev): -28.1067 -28.1067 -28.1033 -28.1033 -10.9521 -10.9521 -10.9376 -10.9376 -9.8664 -9.8664 -9.8491 -9.8491 -9.7648 -9.7648 -9.7493 -9.7493 -3.5391 -3.5391 -3.4586 -3.4586 -0.1536 -0.1536 0.1052 0.1052 3.3726 3.3726 4.4269 4.4269 4.9711 4.9711 5.1623 5.1623 5.5670 5.5670 6.0157 6.0157 6.9075 6.9075 7.0691 7.0691 7.9360 7.9360 8.5587 8.5587 9.0584 9.0584 9.3058 9.3058 k = 0.0000 0.2309 0.2381 ( 5402 PWs) bands (ev): -28.1066 -28.1066 -28.1032 -28.1032 -10.9527 -10.9527 -10.9384 -10.9384 -9.8675 -9.8675 -9.8510 -9.8510 -9.7651 -9.7651 -9.7492 -9.7492 -3.5262 -3.5262 -3.4318 -3.4318 -0.1707 -0.1707 0.0607 0.0607 3.3534 3.3534 4.3996 4.3996 4.9654 4.9654 5.2027 5.2027 5.6301 5.6301 5.9621 5.9621 6.8875 6.8875 7.1082 7.1082 7.9098 7.9098 8.5225 8.5225 9.0199 9.0199 9.3956 9.3956 k = 0.0000 0.2444 0.2381 ( 5409 PWs) bands (ev): -28.1066 -28.1066 -28.1032 -28.1032 -10.9533 -10.9533 -10.9392 -10.9392 -9.8686 -9.8686 -9.8528 -9.8528 -9.7654 -9.7654 -9.7491 -9.7491 -3.5134 -3.5134 -3.4043 -3.4043 -0.2053 -0.2053 0.0350 0.0350 3.3341 3.3341 4.3754 4.3754 4.9580 4.9580 5.2417 5.2417 5.6819 5.6819 5.9228 5.9228 6.8631 6.8631 7.1517 7.1517 7.8885 7.8885 8.4877 8.4877 8.9697 8.9697 9.3159 9.3159 k = 0.0000 0.2580 0.2381 ( 5405 PWs) bands (ev): -28.1065 -28.1065 -28.1031 -28.1031 -10.9538 -10.9538 -10.9399 -10.9399 -9.8697 -9.8697 -9.8546 -9.8546 -9.7657 -9.7657 -9.7489 -9.7489 -3.5008 -3.5008 -3.3764 -3.3764 -0.2545 -0.2545 0.0257 0.0257 3.3149 3.3149 4.3541 4.3541 4.9497 4.9497 5.2789 5.2789 5.7031 5.7031 5.9172 5.9172 6.8363 6.8363 7.1963 7.1963 7.8719 7.8719 8.4546 8.4546 8.9112 8.9112 9.2326 9.2326 k = 0.0000 0.2716 0.2381 ( 5399 PWs) bands (ev): -28.1065 -28.1065 -28.1031 -28.1031 -10.9544 -10.9544 -10.9407 -10.9407 -9.8709 -9.8709 -9.8564 -9.8564 -9.7659 -9.7659 -9.7487 -9.7487 -3.4886 -3.4886 -3.3483 -3.3483 -0.3118 -0.3118 0.0263 0.0263 3.2962 3.2962 4.3356 4.3356 4.9410 4.9410 5.3139 5.3139 5.6854 5.6854 5.9542 5.9542 6.8076 6.8076 7.2405 7.2405 7.8597 7.8597 8.4231 8.4231 8.8470 8.8470 9.1500 9.1500 k = 0.0000 0.2852 0.2381 ( 5400 PWs) bands (ev): -28.1064 -28.1064 -28.1030 -28.1030 -10.9549 -10.9549 -10.9414 -10.9414 -9.8720 -9.8720 -9.8581 -9.8581 -9.7662 -9.7662 -9.7486 -9.7486 -3.4769 -3.4769 -3.3203 -3.3203 -0.3719 -0.3719 0.0320 0.0320 3.2784 3.2784 4.3195 4.3195 4.9320 4.9320 5.3459 5.3459 5.6488 5.6488 6.0141 6.0141 6.7775 6.7775 7.2835 7.2835 7.8512 7.8512 8.3929 8.3929 8.7799 8.7799 9.0680 9.0680 k = 0.0000 0.2987 0.2381 ( 5398 PWs) bands (ev): -28.1064 -28.1064 -28.1030 -28.1030 -10.9554 -10.9554 -10.9421 -10.9421 -9.8730 -9.8730 -9.8598 -9.8598 -9.7664 -9.7664 -9.7483 -9.7483 -3.4658 -3.4658 -3.2927 -3.2927 -0.4317 -0.4317 0.0401 0.0401 3.2619 3.2619 4.3056 4.3056 4.9230 4.9230 5.3734 5.3734 5.6100 5.6100 6.0817 6.0817 6.7465 6.7465 7.3246 7.3246 7.8458 7.8458 8.3634 8.3634 8.7124 8.7124 8.9871 8.9871 k = 0.0000 0.3123 0.2381 ( 5401 PWs) bands (ev): -28.1063 -28.1063 -28.1029 -28.1029 -10.9559 -10.9559 -10.9427 -10.9427 -9.8740 -9.8740 -9.8613 -9.8613 -9.7666 -9.7666 -9.7481 -9.7481 -3.4555 -3.4555 -3.2657 -3.2657 -0.4895 -0.4895 0.0491 0.0491 3.2471 3.2471 4.2937 4.2937 4.9140 4.9140 5.3933 5.3933 5.5777 5.5777 6.1509 6.1509 6.7150 6.7150 7.3632 7.3632 7.8423 7.8423 8.3340 8.3340 8.6465 8.6465 8.9084 8.9084 k = 0.0000 0.3259 0.2381 ( 5400 PWs) bands (ev): -28.1063 -28.1063 -28.1029 -28.1029 -10.9564 -10.9564 -10.9433 -10.9433 -9.8750 -9.8750 -9.8627 -9.8627 -9.7668 -9.7668 -9.7479 -9.7479 -3.4461 -3.4461 -3.2398 -3.2398 -0.5440 -0.5440 0.0581 0.0581 3.2344 3.2344 4.2833 4.2833 4.9051 4.9051 5.4008 5.4008 5.5590 5.5590 6.2187 6.2187 6.6842 6.6842 7.3991 7.3991 7.8396 7.8396 8.3035 8.3035 8.5838 8.5838 8.8336 8.8336 k = 0.0000 0.3395 0.2381 ( 5406 PWs) bands (ev): -28.1063 -28.1063 -28.1028 -28.1028 -10.9569 -10.9569 -10.9439 -10.9439 -9.8759 -9.8759 -9.8640 -9.8640 -9.7669 -9.7669 -9.7477 -9.7477 -3.4377 -3.4377 -3.2152 -3.2152 -0.5944 -0.5944 0.0665 0.0665 3.2242 3.2242 4.2742 4.2742 4.8965 4.8965 5.3933 5.3933 5.5572 5.5572 6.2828 6.2828 6.6553 6.6553 7.4322 7.4322 7.8362 7.8362 8.2710 8.2710 8.5254 8.5254 8.7650 8.7650 k = 0.0000 0.3531 0.2381 ( 5408 PWs) bands (ev): -28.1062 -28.1062 -28.1028 -28.1028 -10.9573 -10.9573 -10.9443 -10.9443 -9.8767 -9.8767 -9.8651 -9.8651 -9.7671 -9.7671 -9.7474 -9.7474 -3.4305 -3.4305 -3.1923 -3.1923 -0.6399 -0.6399 0.0739 0.0739 3.2167 3.2167 4.2661 4.2661 4.8882 4.8882 5.3758 5.3758 5.5677 5.5677 6.3398 6.3398 6.6309 6.6309 7.4625 7.4625 7.8307 7.8307 8.2359 8.2359 8.4710 8.4710 8.7058 8.7058 k = 0.0000 0.3666 0.2381 ( 5404 PWs) bands (ev): -28.1062 -28.1062 -28.1028 -28.1028 -10.9577 -10.9577 -10.9447 -10.9447 -9.8774 -9.8774 -9.8661 -9.8661 -9.7672 -9.7672 -9.7472 -9.7472 -3.4245 -3.4245 -3.1714 -3.1714 -0.6799 -0.6799 0.0802 0.0802 3.2122 3.2122 4.2589 4.2589 4.8804 4.8804 5.3553 5.3553 5.5835 5.5835 6.3848 6.3848 6.6158 6.6158 7.4903 7.4903 7.8213 7.8213 8.1983 8.1983 8.4200 8.4200 8.6590 8.6590 k = 0.0000 0.3802 0.2381 ( 5410 PWs) bands (ev): -28.1062 -28.1062 -28.1028 -28.1028 -10.9580 -10.9580 -10.9450 -10.9450 -9.8781 -9.8781 -9.8668 -9.8668 -9.7674 -9.7674 -9.7470 -9.7470 -3.4200 -3.4200 -3.1528 -3.1528 -0.7139 -0.7139 0.0849 0.0849 3.2111 3.2111 4.2524 4.2524 4.8731 4.8731 5.3360 5.3360 5.6003 5.6003 6.4103 6.4103 6.6167 6.6167 7.5158 7.5158 7.8064 7.8064 8.1596 8.1596 8.3720 8.3720 8.6264 8.6264 k = 0.0000 0.3938 0.2381 ( 5411 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9583 -10.9583 -10.9452 -10.9452 -9.8786 -9.8786 -9.8674 -9.8674 -9.7675 -9.7675 -9.7468 -9.7468 -3.4170 -3.4170 -3.1368 -3.1368 -0.7415 -0.7415 0.0880 0.0880 3.2134 3.2134 4.2464 4.2464 4.8665 4.8665 5.3196 5.3196 5.6158 5.6158 6.4134 6.4134 6.6361 6.6361 7.5389 7.5389 7.7851 7.7851 8.1213 8.1213 8.3280 8.3280 8.6079 8.6079 k = 0.0000 0.4074 0.2381 ( 5407 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9453 -10.9453 -9.8791 -9.8791 -9.8678 -9.8678 -9.7676 -9.7676 -9.7465 -9.7465 -3.4157 -3.4157 -3.1237 -3.1237 -0.7622 -0.7622 0.0894 0.0894 3.2194 3.2194 4.2409 4.2409 4.8607 4.8607 5.3069 5.3069 5.6290 5.6290 6.4008 6.4008 6.6668 6.6668 7.5577 7.5577 7.7588 7.7588 8.0850 8.0850 8.2900 8.2900 8.6021 8.6021 k = 0.0000 0.4074 0.2381 ( 5407 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9453 -10.9453 -9.8791 -9.8791 -9.8678 -9.8678 -9.7676 -9.7676 -9.7465 -9.7465 -3.4157 -3.4157 -3.1237 -3.1237 -0.7622 -0.7622 0.0894 0.0894 3.2194 3.2194 4.2409 4.2409 4.8607 4.8607 5.3069 5.3069 5.6290 5.6290 6.4008 6.4008 6.6668 6.6668 7.5577 7.5577 7.7588 7.7588 8.0850 8.0850 8.2900 8.2900 8.6021 8.6021 k = 0.0000 0.4112 0.2268 ( 5410 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9587 -10.9587 -10.9453 -10.9453 -9.8794 -9.8794 -9.8677 -9.8677 -9.7677 -9.7677 -9.7465 -9.7465 -3.4123 -3.4123 -3.1257 -3.1257 -0.7593 -0.7593 0.0856 0.0856 3.2317 3.2317 4.1842 4.1842 4.8680 4.8680 5.3529 5.3529 5.6208 5.6208 6.4171 6.4171 6.6381 6.6381 7.5533 7.5533 7.7842 7.7842 8.1011 8.1011 8.2871 8.2871 8.5849 8.5849 k = 0.0000 0.4150 0.2155 ( 5413 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9588 -10.9588 -10.9452 -10.9452 -9.8796 -9.8796 -9.8676 -9.8676 -9.7677 -9.7677 -9.7464 -9.7464 -3.4094 -3.4094 -3.1275 -3.1275 -0.7564 -0.7564 0.0819 0.0819 3.2458 3.2458 4.1305 4.1305 4.8750 4.8750 5.3993 5.3993 5.6143 5.6143 6.4192 6.4192 6.6155 6.6155 7.5469 7.5469 7.8157 7.8157 8.1113 8.1113 8.2900 8.2900 8.5671 8.5671 k = 0.0000 0.4188 0.2042 ( 5423 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9589 -10.9589 -10.9452 -10.9452 -9.8799 -9.8799 -9.8675 -9.8675 -9.7678 -9.7678 -9.7464 -9.7464 -3.4069 -3.4069 -3.1290 -3.1290 -0.7536 -0.7536 0.0784 0.0784 3.2609 3.2609 4.0811 4.0811 4.8813 4.8813 5.4435 5.4435 5.6106 5.6106 6.4057 6.4057 6.6027 6.6027 7.5401 7.5401 7.8505 7.8505 8.1140 8.1140 8.2994 8.2994 8.5488 8.5488 k = 0.0000 0.4226 0.1929 ( 5416 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9590 -10.9590 -10.9451 -10.9451 -9.8801 -9.8801 -9.8675 -9.8675 -9.7678 -9.7678 -9.7463 -9.7463 -3.4049 -3.4049 -3.1303 -3.1303 -0.7512 -0.7512 0.0753 0.0753 3.2760 3.2760 4.0374 4.0374 4.8868 4.8868 5.4821 5.4821 5.6113 5.6113 6.3801 6.3801 6.5988 6.5988 7.5338 7.5338 7.8865 7.8865 8.1092 8.1092 8.3147 8.3147 8.5300 8.5300 k = 0.0000 0.4265 0.1815 ( 5413 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9591 -10.9591 -10.9451 -10.9451 -9.8802 -9.8802 -9.8674 -9.8674 -9.7679 -9.7679 -9.7463 -9.7463 -3.4033 -3.4033 -3.1313 -3.1313 -0.7492 -0.7492 0.0728 0.0728 3.2900 3.2900 4.0009 4.0009 4.8912 4.8912 5.5107 5.5107 5.6185 5.6185 6.3499 6.3499 6.5998 6.5998 7.5286 7.5286 7.9219 7.9219 8.0980 8.0980 8.3335 8.3335 8.5111 8.5111 k = 0.0000 0.4303 0.1702 ( 5416 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9591 -10.9591 -10.9451 -10.9451 -9.8803 -9.8803 -9.8673 -9.8673 -9.7679 -9.7679 -9.7462 -9.7462 -3.4021 -3.4021 -3.1321 -3.1321 -0.7477 -0.7477 0.0708 0.0708 3.3014 3.3014 3.9733 3.9733 4.8945 4.8945 5.5272 5.5272 5.6315 5.6315 6.3222 6.3222 6.6022 6.6022 7.5248 7.5248 7.9548 7.9548 8.0825 8.0825 8.3529 8.3529 8.4931 8.4931 k = 0.0000 0.4341 0.1589 ( 5420 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9591 -10.9591 -10.9451 -10.9451 -9.8804 -9.8804 -9.8673 -9.8673 -9.7679 -9.7679 -9.7462 -9.7462 -3.4015 -3.4015 -3.1325 -3.1325 -0.7467 -0.7467 0.0696 0.0696 3.3089 3.3089 3.9560 3.9560 4.8965 4.8965 5.5344 5.5344 5.6439 5.6439 6.3028 6.3028 6.6042 6.6042 7.5225 7.5225 7.9822 7.9822 8.0655 8.0655 8.3688 8.3688 8.4786 8.4786 k = 0.0000 0.4379 0.1476 ( 5422 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9592 -10.9592 -10.9451 -10.9451 -9.8804 -9.8804 -9.8673 -9.8673 -9.7679 -9.7679 -9.7462 -9.7462 -3.4012 -3.4012 -3.1327 -3.1327 -0.7464 -0.7464 0.0692 0.0692 3.3116 3.3116 3.9501 3.9501 4.8972 4.8972 5.5363 5.5363 5.6489 5.6489 6.2958 6.2958 6.6049 6.6049 7.5217 7.5217 7.9950 7.9950 8.0561 8.0561 8.3754 8.3754 8.4726 8.4726 k = 0.0000 0.4379 0.1476 ( 5422 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9592 -10.9592 -10.9451 -10.9451 -9.8804 -9.8804 -9.8673 -9.8673 -9.7679 -9.7679 -9.7462 -9.7462 -3.4012 -3.4012 -3.1327 -3.1327 -0.7464 -0.7464 0.0692 0.0692 3.3116 3.3116 3.9501 3.9501 4.8972 4.8972 5.5363 5.5363 5.6489 5.6489 6.2958 6.2958 6.6049 6.6049 7.5217 7.5217 7.9950 7.9950 8.0561 8.0561 8.3754 8.3754 8.4726 8.4726 k = 0.0135 0.4379 0.1476 ( 5430 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9592 -10.9592 -10.9451 -10.9451 -9.8803 -9.8803 -9.8673 -9.8673 -9.7681 -9.7681 -9.7464 -9.7464 -3.4001 -3.4001 -3.1313 -3.1313 -0.7461 -0.7461 0.0678 0.0678 3.3131 3.3131 3.9511 3.9511 4.8896 4.8896 5.4992 5.4992 5.6644 5.6644 6.2947 6.2947 6.6248 6.6248 7.4978 7.4978 7.9653 7.9653 8.0860 8.0860 8.3862 8.3862 8.4968 8.4968 k = 0.0270 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1061 -28.1061 -28.1027 -28.1027 -10.9592 -10.9592 -10.9452 -10.9452 -9.8802 -9.8802 -9.8671 -9.8671 -9.7685 -9.7685 -9.7469 -9.7469 -3.3965 -3.3965 -3.1274 -3.1274 -0.7451 -0.7451 0.0634 0.0634 3.3176 3.3176 3.9543 3.9543 4.8673 4.8673 5.4163 5.4163 5.6861 5.6861 6.2944 6.2944 6.6760 6.6760 7.4331 7.4331 7.9210 7.9210 8.1303 8.1303 8.4230 8.4230 8.5600 8.5600 k = 0.0405 0.4379 0.1476 ( 5420 PWs) bands (ev): -28.1060 -28.1060 -28.1027 -28.1027 -10.9593 -10.9593 -10.9453 -10.9453 -9.8799 -9.8799 -9.8669 -9.8669 -9.7693 -9.7693 -9.7477 -9.7477 -3.3906 -3.3906 -3.1208 -3.1208 -0.7435 -0.7435 0.0562 0.0562 3.3250 3.3250 3.9595 3.9595 4.8317 4.8317 5.3093 5.3093 5.7010 5.7010 6.2983 6.2983 6.7413 6.7413 7.3424 7.3424 7.8814 7.8814 8.1738 8.1738 8.4843 8.4843 8.6483 8.6483 k = 0.0541 0.4379 0.1476 ( 5426 PWs) bands (ev): -28.1060 -28.1060 -28.1026 -28.1026 -10.9595 -10.9595 -10.9456 -10.9456 -9.8795 -9.8795 -9.8667 -9.8667 -9.7703 -9.7703 -9.7488 -9.7488 -3.3823 -3.3823 -3.1115 -3.1115 -0.7414 -0.7414 0.0459 0.0459 3.3355 3.3355 3.9666 3.9666 4.7847 4.7847 5.1871 5.1871 5.7097 5.7097 6.3058 6.3058 6.8020 6.8020 7.2396 7.2396 7.8541 7.8541 8.2194 8.2194 8.5616 8.5616 8.7526 8.7526 k = 0.0676 0.4379 0.1476 ( 5420 PWs) bands (ev): -28.1059 -28.1059 -28.1025 -28.1025 -10.9597 -10.9597 -10.9458 -10.9458 -9.8790 -9.8790 -9.8663 -9.8663 -9.7716 -9.7716 -9.7502 -9.7502 -3.3717 -3.3717 -3.0996 -3.0996 -0.7387 -0.7387 0.0326 0.0326 3.3488 3.3488 3.9756 3.9756 4.7286 4.7286 5.0554 5.0554 5.7147 5.7147 6.3135 6.3135 6.8397 6.8397 7.1380 7.1380 7.8470 7.8470 8.2698 8.2698 8.6482 8.6482 8.8669 8.8669 k = 0.0811 0.4379 0.1476 ( 5412 PWs) bands (ev): -28.1058 -28.1058 -28.1024 -28.1024 -10.9599 -10.9599 -10.9462 -10.9462 -9.8784 -9.8784 -9.8659 -9.8659 -9.7732 -9.7732 -9.7519 -9.7519 -3.3587 -3.3587 -3.0852 -3.0852 -0.7356 -0.7356 0.0163 0.0163 3.3649 3.3649 3.9862 3.9862 4.6656 4.6656 4.9184 4.9184 5.7174 5.7174 6.3164 6.3164 6.8355 6.8355 7.0529 7.0529 7.8664 7.8664 8.3255 8.3255 8.7410 8.7410 8.9869 8.9869 k = 0.0946 0.4379 0.1476 ( 5404 PWs) bands (ev): -28.1056 -28.1056 -28.1024 -28.1024 -10.9601 -10.9601 -10.9466 -10.9466 -9.8777 -9.8777 -9.8654 -9.8654 -9.7751 -9.7751 -9.7539 -9.7539 -3.3433 -3.3433 -3.0681 -3.0681 -0.7323 -0.7323 -0.0032 -0.0032 3.3838 3.3838 3.9980 3.9980 4.5974 4.5974 4.7799 4.7799 5.7187 5.7187 6.3080 6.3080 6.7852 6.7852 6.9921 6.9921 7.9131 7.9131 8.3855 8.3855 8.8391 8.8391 9.1097 9.1097 k = 0.1081 0.4379 0.1476 ( 5402 PWs) bands (ev): -28.1055 -28.1055 -28.1022 -28.1022 -10.9604 -10.9604 -10.9470 -10.9470 -9.8769 -9.8769 -9.8648 -9.8648 -9.7772 -9.7772 -9.7561 -9.7561 -3.3256 -3.3256 -3.0484 -3.0484 -0.7287 -0.7287 -0.0259 -0.0259 3.4053 3.4053 4.0104 4.0104 4.5244 4.5244 4.6440 4.6440 5.7187 5.7187 6.2796 6.2796 6.7163 6.7163 6.9400 6.9400 7.9814 7.9814 8.4481 8.4481 8.9426 8.9426 9.2332 9.2332 k = 0.1216 0.4379 0.1476 ( 5396 PWs) bands (ev): -28.1053 -28.1053 -28.1021 -28.1021 -10.9607 -10.9607 -10.9476 -10.9476 -9.8761 -9.8761 -9.8642 -9.8642 -9.7795 -9.7795 -9.7586 -9.7586 -3.3055 -3.3055 -3.0261 -3.0261 -0.7252 -0.7252 -0.0519 -0.0519 3.4293 3.4293 4.0223 4.0223 4.4412 4.4412 4.5206 4.5206 5.7174 5.7174 6.2232 6.2232 6.6571 6.6571 6.8833 6.8833 8.0627 8.0627 8.5109 8.5109 9.0519 9.0519 9.3558 9.3558 k = 0.1351 0.4379 0.1476 ( 5386 PWs) bands (ev): -28.1051 -28.1051 -28.1020 -28.1020 -10.9611 -10.9611 -10.9481 -10.9481 -9.8752 -9.8752 -9.8635 -9.8635 -9.7820 -9.7820 -9.7613 -9.7613 -3.2831 -3.2831 -3.0013 -3.0013 -0.7218 -0.7218 -0.0813 -0.0813 3.4555 3.4555 4.0308 4.0308 4.3349 4.3349 4.4276 4.4276 5.7144 5.7144 6.1380 6.1380 6.6166 6.6166 6.8208 6.8208 8.1491 8.1491 8.5718 8.5718 9.1672 9.1672 9.4765 9.4765 k = 0.1486 0.4379 0.1476 ( 5384 PWs) bands (ev): -28.1049 -28.1049 -28.1019 -28.1019 -10.9615 -10.9615 -10.9488 -10.9488 -9.8742 -9.8742 -9.8628 -9.8628 -9.7847 -9.7847 -9.7641 -9.7641 -3.2584 -3.2584 -2.9739 -2.9739 -0.7188 -0.7188 -0.1141 -0.1141 3.4838 3.4838 4.0282 4.0282 4.2211 4.2211 4.3599 4.3599 5.7091 5.7091 6.0316 6.0316 6.5893 6.5893 6.7559 6.7559 8.2347 8.2347 8.6285 8.6285 9.2883 9.2883 9.5940 9.5940 k = 0.1622 0.4379 0.1476 ( 5384 PWs) bands (ev): -28.1047 -28.1047 -28.1017 -28.1017 -10.9619 -10.9619 -10.9495 -10.9495 -9.8731 -9.8731 -9.8621 -9.8621 -9.7875 -9.7875 -9.7672 -9.7672 -3.2313 -3.2313 -2.9440 -2.9440 -0.7164 -0.7164 -0.1503 -0.1503 3.5137 3.5137 3.9888 3.9888 4.1362 4.1362 4.3082 4.3082 5.7003 5.7003 5.9131 5.9131 6.5647 6.5647 6.6944 6.6944 8.3157 8.3157 8.6791 8.6791 9.4143 9.4143 9.7072 9.7072 k = 0.1757 0.4379 0.1476 ( 5386 PWs) bands (ev): -28.1045 -28.1045 -28.1015 -28.1015 -10.9623 -10.9623 -10.9502 -10.9502 -9.8720 -9.8720 -9.8613 -9.8613 -9.7904 -9.7904 -9.7703 -9.7703 -3.2019 -3.2019 -2.9116 -2.9116 -0.7149 -0.7149 -0.1901 -0.1901 3.5448 3.5448 3.8957 3.8957 4.0967 4.0967 4.2748 4.2748 5.6845 5.6845 5.7917 5.7917 6.5305 6.5305 6.6455 6.6455 8.3899 8.3899 8.7223 8.7223 9.5433 9.5433 9.8142 9.8142 k = 0.1892 0.4379 0.1476 ( 5394 PWs) bands (ev): -28.1042 -28.1042 -28.1014 -28.1014 -10.9628 -10.9628 -10.9510 -10.9510 -9.8709 -9.8709 -9.8605 -9.8605 -9.7935 -9.7935 -9.7736 -9.7736 -3.1703 -3.1703 -2.8768 -2.8768 -0.7145 -0.7145 -0.2333 -0.2333 3.5763 3.5763 3.7827 3.7827 4.0675 4.0675 4.2625 4.2625 5.6313 5.6313 5.7007 5.7007 6.4800 6.4800 6.6148 6.6148 8.4566 8.4566 8.7574 8.7574 9.6722 9.6722 9.9117 9.9117 k = 0.2027 0.4379 0.1476 ( 5398 PWs) bands (ev): -28.1040 -28.1040 -28.1012 -28.1012 -10.9633 -10.9633 -10.9518 -10.9518 -9.8697 -9.8697 -9.8596 -9.8596 -9.7966 -9.7966 -9.7769 -9.7769 -3.1363 -3.1363 -2.8396 -2.8396 -0.7155 -0.7155 -0.2800 -0.2800 3.6059 3.6059 3.6694 3.6694 4.0359 4.0359 4.2675 4.2675 5.5138 5.5138 5.6687 5.6687 6.4197 6.4197 6.5951 6.5951 8.5158 8.5158 8.7843 8.7843 9.7963 9.7963 9.9949 9.9949 k = 0.2162 0.4379 0.1476 ( 5396 PWs) bands (ev): -28.1037 -28.1037 -28.1011 -28.1011 -10.9638 -10.9638 -10.9527 -10.9527 -9.8686 -9.8686 -9.8588 -9.8588 -9.7998 -9.7998 -9.7803 -9.7803 -3.1001 -3.1001 -2.8000 -2.8000 -0.7182 -0.7182 -0.3300 -0.3300 3.5535 3.5535 3.6394 3.6394 4.0057 4.0057 4.2827 4.2827 5.3864 5.3864 5.6424 5.6424 6.3574 6.3574 6.5790 6.5790 8.5681 8.5681 8.8035 8.8035 9.9084 9.9084 10.0629 10.0629 k = 0.2297 0.4379 0.1476 ( 5400 PWs) bands (ev): -28.1034 -28.1034 -28.1009 -28.1009 -10.9643 -10.9643 -10.9536 -10.9536 -9.8675 -9.8675 -9.8579 -9.8579 -9.8030 -9.8030 -9.7837 -9.7837 -3.0616 -3.0616 -2.7581 -2.7581 -0.7231 -0.7231 -0.3834 -0.3834 3.4481 3.4481 3.6635 3.6635 3.9819 3.9819 4.3032 4.3032 5.2591 5.2591 5.6128 5.6128 6.2968 6.2968 6.5627 6.5627 8.6144 8.6144 8.8161 8.8161 9.9991 9.9991 10.1208 10.1208 k = 0.2432 0.4379 0.1476 ( 5410 PWs) bands (ev): -28.1032 -28.1032 -28.1007 -28.1007 -10.9648 -10.9648 -10.9545 -10.9545 -9.8664 -9.8664 -9.8571 -9.8571 -9.8061 -9.8061 -9.7871 -9.7871 -3.0208 -3.0208 -2.7139 -2.7139 -0.7303 -0.7303 -0.4400 -0.4400 3.3481 3.3481 3.6817 3.6817 3.9687 3.9687 4.3264 4.3264 5.1343 5.1343 5.5789 5.5789 6.2392 6.2392 6.5448 6.5448 8.6555 8.6555 8.8234 8.8234 10.0620 10.0620 10.1697 10.1697 k = 0.2568 0.4379 0.1476 ( 5420 PWs) bands (ev): -28.1029 -28.1029 -28.1005 -28.1005 -10.9654 -10.9654 -10.9554 -10.9554 -9.8653 -9.8653 -9.8563 -9.8563 -9.8092 -9.8092 -9.7905 -9.7905 -2.9779 -2.9779 -2.6674 -2.6674 -0.7402 -0.7402 -0.4996 -0.4996 3.2550 3.2550 3.6915 3.6915 3.9682 3.9682 4.3501 4.3501 5.0135 5.0135 5.5410 5.5410 6.1851 6.1851 6.5243 6.5243 8.6925 8.6925 8.8271 8.8271 10.0988 10.0988 10.2125 10.2125 k = 0.2703 0.4379 0.1476 ( 5422 PWs) bands (ev): -28.1026 -28.1026 -28.1004 -28.1004 -10.9659 -10.9659 -10.9564 -10.9564 -9.8644 -9.8644 -9.8555 -9.8555 -9.8122 -9.8122 -9.7937 -9.7937 -2.9327 -2.9327 -2.6189 -2.6189 -0.7532 -0.7532 -0.5621 -0.5621 3.1693 3.1693 3.6931 3.6931 3.9793 3.9793 4.3727 4.3727 4.8988 4.8988 5.5003 5.5003 6.1341 6.1341 6.5009 6.5009 8.7259 8.7259 8.8289 8.8289 10.1154 10.1154 10.2568 10.2568 k = 0.2838 0.4379 0.1476 ( 5424 PWs) bands (ev): -28.1024 -28.1024 -28.1002 -28.1002 -10.9664 -10.9664 -10.9574 -10.9574 -9.8635 -9.8635 -9.8548 -9.8548 -9.8151 -9.8151 -9.7969 -9.7969 -2.8854 -2.8854 -2.5682 -2.5682 -0.7696 -0.7696 -0.6272 -0.6272 3.0918 3.0918 3.6891 3.6891 3.9978 3.9978 4.3923 4.3923 4.7928 4.7928 5.4582 5.4582 6.0858 6.0858 6.4744 6.4744 8.7552 8.7552 8.8313 8.8313 10.1193 10.1193 10.3044 10.3044 k = 0.2973 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1021 -28.1021 -28.1001 -28.1001 -10.9669 -10.9669 -10.9584 -10.9584 -9.8627 -9.8627 -9.8541 -9.8541 -9.8178 -9.8178 -9.8000 -9.8000 -2.8359 -2.8359 -2.5155 -2.5155 -0.7896 -0.7896 -0.6948 -0.6948 3.0226 3.0226 3.6827 3.6827 4.0175 4.0175 4.4064 4.4064 4.7004 4.7004 5.4167 5.4167 6.0392 6.0392 6.4447 6.4447 8.7785 8.7785 8.8382 8.8382 10.1153 10.1153 10.3543 10.3543 k = 0.3108 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1018 -28.1018 -28.0999 -28.0999 -10.9674 -10.9674 -10.9594 -10.9594 -9.8621 -9.8621 -9.8535 -9.8535 -9.8203 -9.8203 -9.8028 -9.8028 -2.7844 -2.7844 -2.4609 -2.4609 -0.8135 -0.8135 -0.7645 -0.7645 2.9622 2.9622 3.6759 3.6759 4.0308 4.0308 4.4118 4.4118 4.6286 4.6286 5.3780 5.3780 5.9937 5.9937 6.4118 6.4118 8.7927 8.7927 8.8541 8.8541 10.1061 10.1061 10.4059 10.4059 k = 0.3243 0.4379 0.1476 ( 5434 PWs) bands (ev): -28.1016 -28.1016 -28.0998 -28.0998 -10.9679 -10.9679 -10.9604 -10.9604 -9.8616 -9.8616 -9.8531 -9.8531 -9.8226 -9.8226 -9.8056 -9.8056 -2.7308 -2.7308 -2.4045 -2.4045 -0.8418 -0.8418 -0.8357 -0.8357 2.9109 2.9109 3.6699 3.6699 4.0291 4.0291 4.4079 4.4079 4.5846 4.5846 5.3440 5.3440 5.9484 5.9484 6.3757 6.3757 8.7997 8.7997 8.8779 8.8779 10.0934 10.0934 10.4588 10.4588 k = 0.3378 0.4379 0.1476 ( 5438 PWs) bands (ev): -28.1013 -28.1013 -28.0996 -28.0996 -10.9684 -10.9684 -10.9613 -10.9613 -9.8611 -9.8611 -9.8528 -9.8528 -9.8245 -9.8245 -9.8081 -9.8081 -2.6752 -2.6752 -2.3464 -2.3464 -0.9096 -0.9096 -0.8732 -0.8732 2.8688 2.8688 3.6643 3.6643 4.0058 4.0058 4.4016 4.4016 4.5665 4.5665 5.3169 5.3169 5.9031 5.9031 6.3366 6.3366 8.8045 8.8045 8.9052 8.9052 10.0785 10.0785 10.5126 10.5126 k = 0.3514 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1011 -28.1011 -28.0995 -28.0995 -10.9688 -10.9688 -10.9623 -10.9623 -9.8608 -9.8608 -9.8527 -9.8527 -9.8261 -9.8261 -9.8104 -9.8104 -2.6176 -2.6176 -2.2868 -2.2868 -0.9841 -0.9841 -0.9094 -0.9094 2.8359 2.8359 3.6576 3.6576 3.9629 3.9629 4.3993 4.3993 4.5663 4.5663 5.2979 5.2979 5.8575 5.8575 6.2947 6.2947 8.8099 8.8099 8.9333 8.9333 10.0632 10.0632 10.5667 10.5667 k = 0.3649 0.4379 0.1476 ( 5436 PWs) bands (ev): -28.1008 -28.1008 -28.0994 -28.0994 -10.9691 -10.9691 -10.9632 -10.9632 -9.8607 -9.8607 -9.8528 -9.8528 -9.8274 -9.8274 -9.8126 -9.8126 -2.5581 -2.5581 -2.2259 -2.2259 -1.0596 -1.0596 -0.9495 -0.9495 2.8123 2.8123 3.6457 3.6457 3.9118 3.9118 4.3967 4.3967 4.5804 4.5804 5.2877 5.2877 5.8117 5.8117 6.2501 6.2501 8.8169 8.8169 8.9606 8.9606 10.0490 10.0490 10.6200 10.6200 k = 0.3784 0.4379 0.1476 ( 5436 PWs) bands (ev): -28.1006 -28.1006 -28.0993 -28.0993 -10.9695 -10.9695 -10.9641 -10.9641 -9.8605 -9.8605 -9.8531 -9.8531 -9.8282 -9.8282 -9.8145 -9.8145 -2.4969 -2.4969 -2.1639 -2.1639 -1.1358 -1.1358 -0.9936 -0.9936 2.7979 2.7979 3.6216 3.6216 3.8675 3.8675 4.3860 4.3860 4.6087 4.6087 5.2858 5.2858 5.7662 5.7662 6.2033 6.2033 8.8261 8.8261 8.9858 8.9858 10.0378 10.0378 10.6680 10.6680 k = 0.3919 0.4379 0.1476 ( 5432 PWs) bands (ev): -28.1004 -28.1004 -28.0992 -28.0992 -10.9698 -10.9698 -10.9649 -10.9649 -9.8605 -9.8605 -9.8537 -9.8537 -9.8287 -9.8287 -9.8163 -9.8163 -2.4339 -2.4339 -2.1011 -2.1011 -1.2122 -1.2122 -1.0414 -1.0414 2.7925 2.7925 3.5786 3.5786 3.8421 3.8421 4.3649 4.3649 4.6490 4.6490 5.2903 5.2903 5.7222 5.7222 6.1545 6.1545 8.8378 8.8378 9.0077 9.0077 10.0314 10.0314 10.6885 10.6885 k = 0.4054 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1002 -28.1002 -28.0992 -28.0992 -10.9700 -10.9700 -10.9657 -10.9657 -9.8605 -9.8605 -9.8544 -9.8544 -9.8290 -9.8290 -9.8179 -9.8179 -2.3692 -2.3692 -2.0379 -2.0379 -1.2882 -1.2882 -1.0926 -1.0926 2.7958 2.7958 3.5182 3.5182 3.8370 3.8370 4.3348 4.3348 4.6977 4.6977 5.2980 5.2980 5.6818 5.6818 6.1041 6.1041 8.8518 8.8518 9.0251 9.0251 10.0317 10.0317 10.6648 10.6648 k = 0.4189 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.1000 -28.1000 -28.0991 -28.0991 -10.9701 -10.9701 -10.9665 -10.9665 -9.8605 -9.8605 -9.8552 -9.8552 -9.8289 -9.8289 -9.8193 -9.8193 -2.3031 -2.3031 -1.9753 -1.9753 -1.3630 -1.3630 -1.1469 -1.1469 2.8077 2.8077 3.4480 3.4480 3.8466 3.8466 4.2982 4.2982 4.7520 4.7520 5.3043 5.3043 5.6486 5.6486 6.0524 6.0524 8.8680 8.8680 9.0370 9.0370 10.0400 10.0400 10.6217 10.6217 k = 0.4324 0.4379 0.1476 ( 5422 PWs) bands (ev): -28.0998 -28.0998 -28.0991 -28.0991 -10.9702 -10.9702 -10.9672 -10.9672 -9.8605 -9.8605 -9.8560 -9.8560 -9.8286 -9.8286 -9.8206 -9.8206 -2.2356 -2.2356 -1.9145 -1.9145 -1.4351 -1.4351 -1.2037 -1.2037 2.8276 2.8276 3.3741 3.3741 3.8658 3.8658 4.2572 4.2572 4.8098 4.8098 5.3027 5.3027 5.6275 5.6275 5.9999 5.9999 8.8862 8.8862 9.0428 9.0428 10.0572 10.0572 10.5695 10.5695 k = 0.4459 0.4379 0.1476 ( 5424 PWs) bands (ev): -28.0997 -28.0997 -28.0991 -28.0991 -10.9702 -10.9702 -10.9678 -10.9678 -9.8605 -9.8605 -9.8568 -9.8568 -9.8282 -9.8282 -9.8217 -9.8217 -2.1671 -2.1671 -1.8590 -1.8590 -1.5013 -1.5013 -1.2627 -1.2627 2.8553 2.8553 3.3001 3.3001 3.8917 3.8917 4.2136 4.2136 4.8696 4.8696 5.2877 5.2877 5.6233 5.6233 5.9470 5.9470 8.9060 8.9060 9.0423 9.0423 10.0837 10.0837 10.5118 10.5118 k = 0.4595 0.4379 0.1476 ( 5426 PWs) bands (ev): -28.0995 -28.0995 -28.0991 -28.0991 -10.9702 -10.9702 -10.9684 -10.9684 -9.8604 -9.8604 -9.8576 -9.8576 -9.8276 -9.8276 -9.8228 -9.8228 -2.0978 -2.0978 -1.8171 -1.8171 -1.5530 -1.5530 -1.3232 -1.3232 2.8903 2.8903 3.2281 3.2281 3.9226 3.9226 4.1688 4.1688 4.9305 4.9305 5.2578 5.2578 5.6366 5.6366 5.8943 5.8943 8.9270 8.9270 9.0359 9.0359 10.1190 10.1190 10.4509 10.4509 k = 0.4730 0.4379 0.1476 ( 5432 PWs) bands (ev): -28.0994 -28.0994 -28.0991 -28.0991 -10.9701 -10.9701 -10.9688 -10.9688 -9.8602 -9.8602 -9.8584 -9.8584 -9.8270 -9.8270 -9.8238 -9.8238 -2.0284 -2.0284 -1.8071 -1.8071 -1.5723 -1.5723 -1.3843 -1.3843 2.9323 2.9323 3.1593 3.1593 3.9576 3.9576 4.1238 4.1238 4.9915 4.9915 5.2158 5.2158 5.6639 5.6639 5.8425 5.8425 8.9485 8.9485 9.0245 9.0245 10.1624 10.1624 10.3889 10.3889 k = 0.4865 0.4379 0.1476 ( 5430 PWs) bands (ev): -28.0993 -28.0993 -28.0992 -28.0992 -10.9699 -10.9699 -10.9693 -10.9693 -9.8599 -9.8599 -9.8590 -9.8590 -9.8263 -9.8263 -9.8247 -9.8247 -1.9599 -1.9599 -1.8387 -1.8387 -1.5494 -1.5494 -1.4447 -1.4447 2.9806 2.9806 3.0947 3.0947 3.9958 3.9958 4.0795 4.0795 5.0517 5.0517 5.1656 5.1656 5.7010 5.7010 5.7922 5.7922 8.9700 8.9700 9.0089 9.0089 10.2126 10.2126 10.3274 10.3274 k = 0.5000 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8595 -9.8595 -9.8595 -9.8595 -9.8255 -9.8255 -9.8255 -9.8255 -1.8946 -1.8946 -1.8946 -1.8946 -1.5019 -1.5019 -1.5019 -1.5019 3.0349 3.0349 3.0349 3.0349 4.0366 4.0366 4.0366 4.0366 5.1103 5.1103 5.1103 5.1103 5.7445 5.7445 5.7445 5.7445 8.9904 8.9904 8.9904 8.9904 10.2681 10.2681 10.2681 10.2681 k = 0.5000 0.4379 0.1476 ( 5428 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8595 -9.8595 -9.8595 -9.8595 -9.8255 -9.8255 -9.8255 -9.8255 -1.8946 -1.8946 -1.8946 -1.8946 -1.5019 -1.5019 -1.5019 -1.5019 3.0349 3.0349 3.0349 3.0349 4.0366 4.0366 4.0366 4.0366 5.1103 5.1103 5.1103 5.1103 5.7445 5.7445 5.7445 5.7445 8.9904 8.9904 8.9904 8.9904 10.2681 10.2681 10.2681 10.2681 k = 0.5000 0.4417 0.1363 ( 5426 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8596 -9.8596 -9.8593 -9.8593 -9.8257 -9.8257 -9.8254 -9.8254 -1.8947 -1.8947 -1.8946 -1.8946 -1.5020 -1.5020 -1.5018 -1.5018 3.0337 3.0337 3.0354 3.0354 4.0371 4.0371 4.0373 4.0373 5.1082 5.1082 5.1112 5.1112 5.7457 5.7457 5.7469 5.7469 8.9797 8.9797 8.9925 8.9925 10.2666 10.2666 10.2806 10.2806 k = 0.5000 0.4455 0.1250 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8598 -9.8598 -9.8592 -9.8592 -9.8258 -9.8258 -9.8252 -9.8252 -1.8949 -1.8949 -1.8945 -1.8945 -1.5022 -1.5022 -1.5017 -1.5017 3.0318 3.0318 3.0350 3.0350 4.0388 4.0388 4.0392 4.0392 5.1050 5.1050 5.1109 5.1109 5.7503 5.7503 5.7526 5.7526 8.9613 8.9613 8.9861 8.9861 10.2759 10.2759 10.3034 10.3034 k = 0.5000 0.4493 0.1137 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8599 -9.8599 -9.8590 -9.8590 -9.8259 -9.8259 -9.8250 -9.8250 -1.8951 -1.8951 -1.8945 -1.8945 -1.5024 -1.5024 -1.5017 -1.5017 3.0292 3.0292 3.0340 3.0340 4.0415 4.0415 4.0420 4.0420 5.1010 5.1010 5.1098 5.1098 5.7580 5.7580 5.7616 5.7616 8.9362 8.9362 8.9720 8.9720 10.2945 10.2946 10.3348 10.3348 k = 0.5000 0.4532 0.1023 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8600 -9.8600 -9.8589 -9.8589 -9.8261 -9.8261 -9.8249 -9.8249 -1.8953 -1.8953 -1.8946 -1.8946 -1.5027 -1.5027 -1.5018 -1.5018 3.0261 3.0261 3.0322 3.0322 4.0452 4.0452 4.0457 4.0457 5.0963 5.0963 5.1079 5.1079 5.7687 5.7687 5.7735 5.7735 8.9063 8.9063 8.9514 8.9514 10.3201 10.3201 10.3723 10.3723 k = 0.5000 0.4570 0.0910 ( 5434 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8601 -9.8601 -9.8588 -9.8588 -9.8262 -9.8262 -9.8248 -9.8248 -1.8956 -1.8956 -1.8947 -1.8947 -1.5030 -1.5030 -1.5019 -1.5019 3.0226 3.0226 3.0300 3.0300 4.0496 4.0496 4.0500 4.0500 5.0914 5.0914 5.1056 5.1056 5.7819 5.7819 5.7878 5.7878 8.8732 8.8732 8.9261 8.9261 10.3494 10.3494 10.4127 10.4127 k = 0.5000 0.4608 0.0797 ( 5436 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8602 -9.8602 -9.8587 -9.8587 -9.8262 -9.8262 -9.8247 -9.8247 -1.8960 -1.8960 -1.8949 -1.8949 -1.5034 -1.5034 -1.5020 -1.5020 3.0188 3.0188 3.0274 3.0274 4.0545 4.0545 4.0546 4.0546 5.0865 5.0865 5.1033 5.1033 5.7971 5.7971 5.8042 5.8042 8.8385 8.8385 8.8977 8.8977 10.3781 10.3781 10.4519 10.4519 k = 0.5000 0.4646 0.0684 ( 5432 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8602 -9.8602 -9.8586 -9.8586 -9.8263 -9.8263 -9.8246 -9.8246 -1.8963 -1.8963 -1.8952 -1.8952 -1.5038 -1.5038 -1.5022 -1.5022 3.0150 3.0150 3.0246 3.0246 4.0593 4.0593 4.0596 4.0596 5.0820 5.0820 5.1012 5.1012 5.8139 5.8139 5.8221 5.8221 8.8038 8.8038 8.8676 8.8676 10.4015 10.4015 10.4847 10.4847 k = 0.5000 0.4684 0.0571 ( 5434 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8603 -9.8603 -9.8585 -9.8585 -9.8263 -9.8263 -9.8245 -9.8245 -1.8968 -1.8968 -1.8955 -1.8955 -1.5042 -1.5042 -1.5024 -1.5024 3.0114 3.0114 3.0217 3.0217 4.0637 4.0637 4.0646 4.0646 5.0783 5.0783 5.0996 5.0996 5.8318 5.8318 5.8411 5.8411 8.7701 8.7701 8.8374 8.8374 10.4144 10.4144 10.5047 10.5047 k = 0.5000 0.4684 0.0571 ( 5434 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8603 -9.8603 -9.8585 -9.8585 -9.8263 -9.8263 -9.8245 -9.8245 -1.8968 -1.8968 -1.8955 -1.8955 -1.5042 -1.5042 -1.5024 -1.5024 3.0114 3.0114 3.0217 3.0217 4.0637 4.0637 4.0646 4.0646 5.0783 5.0783 5.0996 5.0996 5.8318 5.8318 5.8411 5.8411 8.7701 8.7701 8.8374 8.8374 10.4144 10.4144 10.5047 10.5047 k = 0.5000 0.4659 0.0448 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8603 -9.8603 -9.8585 -9.8585 -9.8264 -9.8264 -9.8245 -9.8245 -1.8975 -1.8975 -1.8962 -1.8962 -1.5023 -1.5023 -1.5007 -1.5007 3.0042 3.0042 3.0144 3.0144 4.0629 4.0629 4.0637 4.0637 5.0744 5.0744 5.0956 5.0956 5.8573 5.8573 5.8670 5.8670 8.7375 8.7375 8.8074 8.8074 10.3975 10.3975 10.4894 10.4894 k = 0.5000 0.4633 0.0325 ( 5436 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8604 -9.8604 -9.8584 -9.8584 -9.8265 -9.8265 -9.8245 -9.8245 -1.8982 -1.8982 -1.8969 -1.8969 -1.5005 -1.5005 -1.4989 -1.4989 2.9975 2.9975 3.0074 3.0074 4.0610 4.0610 4.0617 4.0617 5.0719 5.0719 5.0924 5.0924 5.8831 5.8831 5.8932 5.8932 8.7083 8.7083 8.7793 8.7793 10.3635 10.3635 10.4522 10.4522 k = 0.5000 0.4608 0.0202 ( 5432 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8604 -9.8604 -9.8584 -9.8584 -9.8265 -9.8265 -9.8245 -9.8245 -1.8989 -1.8989 -1.8977 -1.8977 -1.4987 -1.4987 -1.4972 -1.4972 2.9914 2.9914 3.0008 3.0008 4.0584 4.0584 4.0589 4.0589 5.0707 5.0707 5.0902 5.0902 5.9084 5.9084 5.9188 5.9188 8.6831 8.6831 8.7539 8.7539 10.3163 10.3163 10.3992 10.3992 k = 0.5000 0.4582 0.0079 ( 5436 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8603 -9.8603 -9.8584 -9.8584 -9.8266 -9.8266 -9.8246 -9.8246 -1.8996 -1.8996 -1.8985 -1.8985 -1.4970 -1.4970 -1.4956 -1.4956 2.9859 2.9859 2.9947 2.9947 4.0552 4.0552 4.0556 4.0556 5.0707 5.0707 5.0888 5.0888 5.9328 5.9328 5.9432 5.9432 8.6624 8.6624 8.7317 8.7317 10.2613 10.2613 10.3373 10.3373 k = 0.5000 0.4557-0.0044 ( 5436 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8603 -9.8603 -9.8584 -9.8584 -9.8266 -9.8266 -9.8247 -9.8247 -1.9002 -1.9002 -1.8992 -1.8992 -1.4954 -1.4954 -1.4941 -1.4941 2.9811 2.9811 2.9891 2.9891 4.0516 4.0516 4.0519 4.0519 5.0718 5.0718 5.0882 5.0882 5.9555 5.9555 5.9657 5.9657 8.6467 8.6467 8.7128 8.7128 10.2034 10.2034 10.2721 10.2721 k = 0.5000 0.4532-0.0167 ( 5436 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8602 -9.8602 -9.8584 -9.8584 -9.8265 -9.8265 -9.8248 -9.8248 -1.9008 -1.9008 -1.8999 -1.8999 -1.4939 -1.4939 -1.4928 -1.4928 2.9769 2.9769 2.9841 2.9841 4.0479 4.0479 4.0480 4.0480 5.0737 5.0737 5.0881 5.0881 5.9761 5.9761 5.9858 5.9858 8.6358 8.6358 8.6972 8.6972 10.1466 10.1466 10.2077 10.2077 k = 0.5000 0.4506-0.0290 ( 5428 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8600 -9.8600 -9.8585 -9.8585 -9.8265 -9.8265 -9.8249 -9.8249 -1.9013 -1.9013 -1.9005 -1.9005 -1.4926 -1.4926 -1.4917 -1.4917 2.9735 2.9735 2.9797 2.9797 4.0444 4.0444 4.0444 4.0444 5.0761 5.0761 5.0884 5.0884 5.9943 5.9943 6.0031 6.0031 8.6294 8.6294 8.6843 8.6843 10.0942 10.0942 10.1471 10.1471 k = 0.5000 0.4481-0.0413 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8599 -9.8599 -9.8586 -9.8586 -9.8264 -9.8264 -9.8251 -9.8251 -1.9017 -1.9017 -1.9011 -1.9011 -1.4915 -1.4915 -1.4907 -1.4907 2.9708 2.9708 2.9759 2.9759 4.0411 4.0411 4.0411 4.0411 5.0787 5.0787 5.0887 5.0887 6.0098 6.0098 6.0173 6.0173 8.6270 8.6270 8.6738 8.6738 10.0489 10.0489 10.0928 10.0928 k = 0.5000 0.4455-0.0536 ( 5428 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8597 -9.8597 -9.8588 -9.8588 -9.8263 -9.8263 -9.8252 -9.8252 -1.9021 -1.9021 -1.9016 -1.9016 -1.4905 -1.4905 -1.4899 -1.4899 2.9689 2.9689 2.9728 2.9728 4.0383 4.0383 4.0384 4.0384 5.0814 5.0814 5.0890 5.0890 6.0223 6.0223 6.0282 6.0282 8.6281 8.6281 8.6649 8.6649 10.0128 10.0128 10.0468 10.0468 k = 0.5000 0.4430-0.0659 ( 5430 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8596 -9.8596 -9.8589 -9.8589 -9.8261 -9.8261 -9.8254 -9.8254 -1.9023 -1.9023 -1.9019 -1.9019 -1.4898 -1.4898 -1.4894 -1.4894 2.9677 2.9677 2.9704 2.9704 4.0363 4.0363 4.0363 4.0363 5.0838 5.0838 5.0889 5.0889 6.0316 6.0316 6.0357 6.0357 8.6316 8.6316 8.6571 8.6571 9.9875 9.9875 10.0108 10.0108 k = 0.5000 0.4404-0.0782 ( 5434 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8594 -9.8594 -9.8591 -9.8591 -9.8260 -9.8260 -9.8256 -9.8256 -1.9024 -1.9024 -1.9022 -1.9022 -1.4894 -1.4894 -1.4892 -1.4892 2.9673 2.9673 2.9686 2.9686 4.0350 4.0350 4.0350 4.0350 5.0858 5.0858 5.0884 5.0884 6.0377 6.0377 6.0398 6.0398 8.6368 8.6368 8.6499 8.6499 9.9743 9.9743 9.9862 9.9862 k = 0.5000 0.4379-0.0905 ( 5440 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8592 -9.8592 -9.8592 -9.8592 -9.8258 -9.8258 -9.8258 -9.8258 -1.9023 -1.9023 -1.9023 -1.9023 -1.4891 -1.4891 -1.4891 -1.4891 2.9676 2.9676 2.9676 2.9676 4.0346 4.0346 4.0346 4.0346 5.0874 5.0874 5.0874 5.0874 6.0405 6.0405 6.0405 6.0405 8.6431 8.6431 8.6431 8.6431 9.9738 9.9738 9.9738 9.9738 k = 0.5000 0.4379-0.0905 ( 5440 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9696 -10.9696 -9.8592 -9.8592 -9.8592 -9.8592 -9.8258 -9.8258 -9.8258 -9.8258 -1.9023 -1.9023 -1.9023 -1.9023 -1.4891 -1.4891 -1.4891 -1.4891 2.9676 2.9676 2.9676 2.9676 4.0346 4.0346 4.0346 4.0346 5.0874 5.0874 5.0874 5.0874 6.0405 6.0405 6.0405 6.0405 8.6431 8.6431 8.6431 8.6431 9.9738 9.9738 9.9738 9.9738 k = 0.4865 0.4379-0.0905 ( 5436 PWs) bands (ev): -28.0993 -28.0993 -28.0992 -28.0992 -10.9699 -10.9699 -10.9693 -10.9693 -9.8597 -9.8597 -9.8586 -9.8586 -9.8266 -9.8266 -9.8249 -9.8249 -1.9790 -1.9790 -1.8246 -1.8246 -1.5542 -1.5542 -1.4252 -1.4252 2.9211 2.9211 3.0204 3.0204 3.9809 3.9809 4.0908 4.0908 5.0231 5.0231 5.1504 5.1504 6.0332 6.0332 6.0456 6.0456 8.6407 8.6407 8.6504 8.6504 9.9061 9.9061 10.0412 10.0412 k = 0.4730 0.4379-0.0905 ( 5430 PWs) bands (ev): -28.0994 -28.0994 -28.0991 -28.0991 -10.9700 -10.9700 -10.9689 -10.9689 -9.8601 -9.8601 -9.8579 -9.8579 -9.8274 -9.8274 -9.8239 -9.8239 -2.0544 -2.0544 -1.7461 -1.7461 -1.6201 -1.6201 -1.3627 -1.3627 2.8813 2.8813 3.0791 3.0791 3.9301 3.9301 4.1494 4.1494 4.9582 4.9582 5.2117 5.2117 6.0236 6.0236 6.0488 6.0488 8.6434 8.6434 8.6625 8.6625 9.8395 9.8395 10.1068 10.1068 k = 0.4595 0.4379-0.0905 ( 5434 PWs) bands (ev): -28.0995 -28.0995 -28.0991 -28.0991 -10.9701 -10.9701 -10.9684 -10.9684 -9.8603 -9.8603 -9.8571 -9.8571 -9.8281 -9.8281 -9.8229 -9.8229 -2.1285 -2.1285 -1.6868 -1.6868 -1.6663 -1.6663 -1.3021 -1.3021 2.8485 2.8485 3.1434 3.1434 3.8823 3.8823 4.2098 4.2098 4.8931 4.8931 5.2707 5.2707 6.0118 6.0118 6.0503 6.0503 8.6510 8.6510 8.6790 8.6790 9.7752 9.7752 10.1689 10.1689 k = 0.4459 0.4379-0.0905 ( 5430 PWs) bands (ev): -28.0997 -28.0997 -28.0991 -28.0991 -10.9702 -10.9702 -10.9679 -10.9679 -9.8605 -9.8605 -9.8563 -9.8563 -9.8287 -9.8287 -9.8218 -9.8218 -2.2011 -2.2011 -1.7531 -1.7531 -1.5867 -1.5867 -1.2436 -1.2436 2.8231 2.8231 3.2129 3.2129 3.8378 3.8378 4.2717 4.2717 4.8285 4.8285 5.3267 5.3267 5.9978 5.9978 6.0509 6.0509 8.6631 8.6631 8.6993 8.6993 9.7145 9.7145 10.2258 10.2258 k = 0.4324 0.4379-0.0905 ( 5432 PWs) bands (ev): -28.0998 -28.0998 -28.0991 -28.0991 -10.9701 -10.9701 -10.9672 -10.9672 -9.8606 -9.8606 -9.8553 -9.8553 -9.8292 -9.8292 -9.8206 -9.8206 -2.2723 -2.2723 -1.8195 -1.8195 -1.5064 -1.5064 -1.1875 -1.1875 2.8055 2.8055 3.2873 3.2873 3.7966 3.7966 4.3339 4.3339 4.7654 4.7654 5.3789 5.3789 5.9819 5.9819 6.0513 6.0513 8.6793 8.6793 8.7227 8.7227 9.6590 9.6590 10.2756 10.2756 k = 0.4189 0.4379-0.0905 ( 5424 PWs) bands (ev): -28.1000 -28.1000 -28.0991 -28.0991 -10.9700 -10.9700 -10.9666 -10.9666 -9.8607 -9.8607 -9.8544 -9.8544 -9.8295 -9.8295 -9.8192 -9.8192 -2.3418 -2.3418 -1.8857 -1.8857 -1.4261 -1.4261 -1.1342 -1.1342 2.7960 2.7960 3.3663 3.3663 3.7591 3.7591 4.3945 4.3945 4.7058 4.7058 5.4266 5.4266 5.9643 5.9643 6.0525 6.0525 8.6989 8.6989 8.7482 8.7482 9.6100 9.6100 10.3163 10.3163 k = 0.4054 0.4379-0.0905 ( 5426 PWs) bands (ev): -28.1002 -28.1002 -28.0992 -28.0992 -10.9698 -10.9698 -10.9659 -10.9659 -9.8607 -9.8607 -9.8535 -9.8535 -9.8297 -9.8297 -9.8178 -9.8178 -2.4095 -2.4095 -1.9513 -1.9513 -1.3460 -1.3460 -1.0839 -1.0839 2.7949 2.7949 3.4494 3.4494 3.7253 3.7253 4.4474 4.4474 4.6557 4.6557 5.4688 5.4688 5.9451 5.9451 6.0556 6.0556 8.7207 8.7207 8.7748 8.7748 9.5691 9.5691 10.3464 10.3464 k = 0.3919 0.4379-0.0905 ( 5426 PWs) bands (ev): -28.1004 -28.1004 -28.0992 -28.0992 -10.9696 -10.9696 -10.9651 -10.9651 -9.8608 -9.8608 -9.8528 -9.8528 -9.8295 -9.8295 -9.8162 -9.8162 -2.4755 -2.4755 -2.0161 -2.0161 -1.2666 -1.2666 -1.0366 -1.0366 2.8023 2.8023 3.5362 3.5362 3.6955 3.6955 4.4735 4.4735 4.6341 4.6341 5.5048 5.5048 5.9245 5.9245 6.0620 6.0620 8.7434 8.7434 8.8017 8.8017 9.5380 9.5380 10.3650 10.3650 k = 0.3784 0.4379-0.0905 ( 5422 PWs) bands (ev): -28.1006 -28.1006 -28.0993 -28.0993 -10.9693 -10.9693 -10.9642 -10.9642 -9.8608 -9.8608 -9.8523 -9.8523 -9.8290 -9.8290 -9.8144 -9.8144 -2.5397 -2.5397 -2.0799 -2.0799 -1.1884 -1.1884 -0.9921 -0.9921 2.8185 2.8185 3.6248 3.6248 3.6714 3.6714 4.4523 4.4523 4.6612 4.6612 5.5340 5.5340 5.9028 5.9028 6.0729 6.0729 8.7649 8.7649 8.8285 8.8285 9.5182 9.5182 10.3721 10.3721 k = 0.3649 0.4379-0.0905 ( 5430 PWs) bands (ev): -28.1008 -28.1008 -28.0994 -28.0994 -10.9690 -10.9690 -10.9634 -10.9634 -9.8609 -9.8609 -9.8520 -9.8520 -9.8282 -9.8282 -9.8124 -9.8124 -2.6019 -2.6019 -2.1425 -2.1425 -1.1124 -1.1124 -0.9500 -0.9500 2.8434 2.8434 3.6450 3.6450 3.7229 3.7229 4.4061 4.4061 4.7146 4.7146 5.5565 5.5565 5.8802 5.8802 6.0889 6.0889 8.7826 8.7826 8.8555 8.8555 9.5109 9.5109 10.3688 10.3688 k = 0.3514 0.4379-0.0905 ( 5428 PWs) bands (ev): -28.1011 -28.1011 -28.0995 -28.0995 -10.9686 -10.9686 -10.9625 -10.9625 -9.8611 -9.8611 -9.8519 -9.8519 -9.8269 -9.8269 -9.8102 -9.8102 -2.6622 -2.6622 -2.2039 -2.2039 -1.0406 -1.0406 -0.9087 -0.9087 2.8772 2.8772 3.6281 3.6281 3.8184 3.8184 4.3537 4.3537 4.7749 4.7749 5.5730 5.5730 5.8569 5.8569 6.1105 6.1105 8.7943 8.7943 8.8832 8.8832 9.5163 9.5163 10.3566 10.3566 k = 0.3378 0.4379-0.0905 ( 5428 PWs) bands (ev): -28.1013 -28.1013 -28.0996 -28.0996 -10.9681 -10.9681 -10.9616 -10.9616 -9.8613 -9.8613 -9.8522 -9.8522 -9.8252 -9.8252 -9.8078 -9.8078 -2.7204 -2.7204 -2.2637 -2.2637 -0.9764 -0.9764 -0.8648 -0.8648 2.9195 2.9195 3.6147 3.6147 3.9165 3.9165 4.3014 4.3014 4.8359 4.8359 5.5846 5.5846 5.8332 5.8332 6.1376 6.1376 8.7992 8.7992 8.9113 8.9113 9.5336 9.5336 10.3372 10.3372 k = 0.3243 0.4379-0.0905 ( 5424 PWs) bands (ev): -28.1016 -28.1016 -28.0997 -28.0997 -10.9677 -10.9677 -10.9606 -10.9606 -9.8617 -9.8617 -9.8526 -9.8526 -9.8232 -9.8232 -9.8053 -9.8053 -2.7766 -2.7766 -2.3220 -2.3220 -0.9251 -0.9251 -0.8135 -0.8135 2.9700 2.9700 3.6056 3.6056 4.0149 4.0149 4.2525 4.2525 4.8945 4.8945 5.5934 5.5934 5.8094 5.8094 6.1696 6.1696 8.7981 8.7981 8.9389 8.9389 9.5610 9.5610 10.3119 10.3119 k = 0.3108 0.4379-0.0905 ( 5426 PWs) bands (ev): -28.1018 -28.1018 -28.0999 -28.0999 -10.9672 -10.9672 -10.9596 -10.9596 -9.8621 -9.8621 -9.8532 -9.8532 -9.8209 -9.8209 -9.8025 -9.8025 -2.8308 -2.8308 -2.3786 -2.3786 -0.8881 -0.8881 -0.7534 -0.7534 3.0281 3.0281 3.6008 3.6008 4.1050 4.1050 4.2163 4.2163 4.9490 4.9490 5.6009 5.6009 5.7860 5.7860 6.2061 6.2061 8.7924 8.7924 8.9647 8.9647 9.5962 9.5962 10.2815 10.2815 k = 0.2973 0.4379-0.0905 ( 5422 PWs) bands (ev): -28.1021 -28.1021 -28.1000 -28.1000 -10.9667 -10.9667 -10.9587 -10.9587 -9.8626 -9.8626 -9.8540 -9.8540 -9.8183 -9.8183 -9.7996 -9.7996 -2.8827 -2.8827 -2.4333 -2.4333 -0.8619 -0.8619 -0.6883 -0.6883 3.0928 3.0928 3.6008 3.6008 4.1304 4.1304 4.2495 4.2495 4.9980 4.9980 5.6086 5.6086 5.7642 5.7642 6.2470 6.2470 8.7833 8.7833 8.9872 8.9872 9.6363 9.6363 10.2463 10.2463 k = 0.2838 0.4379-0.0905 ( 5428 PWs) bands (ev): -28.1024 -28.1024 -28.1002 -28.1002 -10.9661 -10.9661 -10.9577 -10.9577 -9.8633 -9.8633 -9.8549 -9.8549 -9.8155 -9.8155 -9.7966 -9.7966 -2.9326 -2.9326 -2.4861 -2.4861 -0.8429 -0.8429 -0.6216 -0.6216 3.1625 3.1625 3.6062 3.6062 4.1012 4.1012 4.3421 4.3421 5.0407 5.0407 5.6164 5.6164 5.7456 5.7456 6.2921 6.2921 8.7719 8.7719 9.0049 9.0049 9.6785 9.6785 10.2055 10.2055 k = 0.2703 0.4379-0.0905 ( 5426 PWs) bands (ev): -28.1027 -28.1027 -28.1003 -28.1003 -10.9656 -10.9656 -10.9568 -10.9568 -9.8640 -9.8640 -9.8559 -9.8559 -9.8126 -9.8126 -9.7934 -9.7934 -2.9802 -2.9802 -2.5370 -2.5370 -0.8290 -0.8290 -0.5556 -0.5556 3.2342 3.2342 3.6183 3.6183 4.0705 4.0705 4.4408 4.4408 5.0775 5.0775 5.6216 5.6216 5.7340 5.7340 6.3418 6.3418 8.7587 8.7587 9.0166 9.0166 9.7199 9.7199 10.1577 10.1577 k = 0.2568 0.4379-0.0905 ( 5430 PWs) bands (ev): -28.1029 -28.1029 -28.1005 -28.1005 -10.9650 -10.9650 -10.9558 -10.9558 -9.8648 -9.8648 -9.8569 -9.8569 -9.8095 -9.8095 -9.7901 -9.7901 -3.0256 -3.0256 -2.5857 -2.5857 -0.8190 -0.8190 -0.4912 -0.4912 3.3031 3.3031 3.6405 3.6405 4.0461 4.0461 4.5371 4.5371 5.1101 5.1101 5.6195 5.6195 5.7344 5.7344 6.3964 6.3964 8.7438 8.7438 9.0208 9.0208 9.7573 9.7573 10.0998 10.0998 k = 0.2432 0.4379-0.0905 ( 5430 PWs) bands (ev): -28.1032 -28.1032 -28.1007 -28.1007 -10.9645 -10.9645 -10.9549 -10.9549 -9.8657 -9.8657 -9.8579 -9.8579 -9.8063 -9.8063 -9.7868 -9.7868 -3.0688 -3.0688 -2.6323 -2.6323 -0.8123 -0.8123 -0.4292 -0.4292 3.3614 3.3614 3.6785 3.6785 4.0308 4.0308 4.6265 4.6265 5.1421 5.1421 5.6082 5.6082 5.7482 5.7482 6.4566 6.4566 8.7270 8.7270 9.0162 9.0162 9.7865 9.7865 10.0275 10.0275 k = 0.2297 0.4379-0.0905 ( 5426 PWs) bands (ev): -28.1035 -28.1035 -28.1008 -28.1008 -10.9639 -10.9639 -10.9540 -10.9540 -9.8666 -9.8666 -9.8589 -9.8589 -9.8031 -9.8031 -9.7834 -9.7834 -3.1097 -3.1097 -2.6766 -2.6766 -0.8083 -0.8083 -0.3699 -0.3699 3.4015 3.4015 3.7377 3.7377 4.0267 4.0267 4.7044 4.7044 5.1782 5.1782 5.5908 5.5908 5.7713 5.7713 6.5226 6.5226 8.7075 8.7075 9.0017 9.0017 9.8010 9.8010 9.9380 9.9380 k = 0.2162 0.4379-0.0905 ( 5418 PWs) bands (ev): -28.1037 -28.1037 -28.1010 -28.1010 -10.9634 -10.9634 -10.9531 -10.9531 -9.8676 -9.8676 -9.8599 -9.8599 -9.7999 -9.7999 -9.7800 -9.7800 -3.1484 -3.1484 -2.7187 -2.7187 -0.8065 -0.8065 -0.3136 -0.3136 3.4216 3.4216 3.8177 3.8177 4.0356 4.0356 4.7660 4.7660 5.2234 5.2234 5.5711 5.5711 5.8002 5.8002 6.5947 6.5947 8.6847 8.6847 8.9765 8.9765 9.7716 9.7716 9.8545 9.8545 k = 0.2027 0.4379-0.0905 ( 5422 PWs) bands (ev): -28.1040 -28.1040 -28.1012 -28.1012 -10.9629 -10.9629 -10.9523 -10.9523 -9.8686 -9.8686 -9.8609 -9.8609 -9.7967 -9.7967 -9.7766 -9.7766 -3.1848 -3.1848 -2.7584 -2.7584 -0.8066 -0.8066 -0.2605 -0.2605 3.4259 3.4259 3.9101 3.9101 4.0612 4.0612 4.8089 4.8089 5.2790 5.2790 5.5516 5.5516 5.8330 5.8330 6.6730 6.6730 8.6576 8.6576 8.9397 8.9397 9.6543 9.6543 9.8209 9.8209 k = 0.1892 0.4379-0.0905 ( 5420 PWs) bands (ev): -28.1043 -28.1043 -28.1013 -28.1013 -10.9623 -10.9623 -10.9515 -10.9515 -9.8697 -9.8697 -9.8619 -9.8619 -9.7936 -9.7936 -9.7733 -9.7733 -3.2189 -3.2189 -2.7958 -2.7958 -0.8082 -0.8082 -0.2109 -0.2109 3.4196 3.4196 3.9985 3.9985 4.1139 4.1139 4.8347 4.8347 5.3398 5.3398 5.5361 5.5361 5.8704 5.8704 6.7573 6.7573 8.6253 8.6253 8.8912 8.8912 9.5039 9.5039 9.7874 9.7874 k = 0.1757 0.4379-0.0905 ( 5416 PWs) bands (ev): -28.1045 -28.1045 -28.1015 -28.1015 -10.9619 -10.9619 -10.9507 -10.9507 -9.8707 -9.8707 -9.8628 -9.8628 -9.7905 -9.7905 -9.7700 -9.7700 -3.2506 -3.2506 -2.8308 -2.8308 -0.8110 -0.8110 -0.1648 -0.1648 3.4066 3.4066 4.0652 4.0652 4.2063 4.2063 4.8477 4.8477 5.3912 5.3912 5.5337 5.5337 5.9142 5.9142 6.8469 6.8469 8.5867 8.5867 8.8309 8.8309 9.3409 9.3409 9.7398 9.7398 k = 0.1622 0.4379-0.0905 ( 5416 PWs) bands (ev): -28.1047 -28.1047 -28.1017 -28.1017 -10.9614 -10.9614 -10.9500 -10.9500 -9.8717 -9.8717 -9.8637 -9.8637 -9.7875 -9.7875 -9.7669 -9.7669 -3.2801 -3.2801 -2.8632 -2.8632 -0.8146 -0.8146 -0.1224 -0.1224 3.3896 3.3896 4.1196 4.1196 4.3251 4.3251 4.8527 4.8527 5.4114 5.4114 5.5588 5.5588 5.9677 5.9677 6.9414 6.9414 8.5412 8.5412 8.7592 8.7592 9.1722 9.1722 9.6787 9.6787 k = 0.1486 0.4379-0.0905 ( 5404 PWs) bands (ev): -28.1049 -28.1049 -28.1018 -28.1018 -10.9610 -10.9610 -10.9493 -10.9493 -9.8727 -9.8727 -9.8645 -9.8645 -9.7847 -9.7847 -9.7638 -9.7638 -3.3072 -3.3072 -2.8933 -2.8933 -0.8188 -0.8188 -0.0836 -0.0836 3.3706 3.3706 4.1733 4.1733 4.4545 4.4545 4.8542 4.8542 5.4035 5.4035 5.6021 5.6021 6.0342 6.0342 7.0401 7.0401 8.4881 8.4881 8.6758 8.6758 9.0029 9.0029 9.6067 9.6067 k = 0.1351 0.4379-0.0905 ( 5402 PWs) bands (ev): -28.1051 -28.1051 -28.1020 -28.1020 -10.9606 -10.9606 -10.9487 -10.9487 -9.8736 -9.8736 -9.8653 -9.8653 -9.7820 -9.7820 -9.7610 -9.7610 -3.3320 -3.3320 -2.9207 -2.9207 -0.8235 -0.8235 -0.0484 -0.0484 3.3509 3.3509 4.2292 4.2292 4.5864 4.5864 4.8573 4.8573 5.3842 5.3842 5.6439 5.6439 6.1149 6.1149 7.1420 7.1420 8.4267 8.4267 8.5796 8.5796 8.8393 8.8393 9.5260 9.5260 k = 0.1216 0.4379-0.0905 ( 5404 PWs) bands (ev): -28.1053 -28.1053 -28.1021 -28.1021 -10.9602 -10.9602 -10.9482 -10.9482 -9.8745 -9.8745 -9.8661 -9.8661 -9.7794 -9.7794 -9.7583 -9.7583 -3.3544 -3.3544 -2.9457 -2.9457 -0.8283 -0.8283 -0.0168 -0.0168 3.3314 3.3314 4.2871 4.2871 4.7075 4.7075 4.8745 4.8745 5.3602 5.3602 5.6774 5.6774 6.2083 6.2083 7.2462 7.2462 8.3562 8.3562 8.4674 8.4674 8.6902 8.6902 9.4386 9.4386 k = 0.1081 0.4379-0.0905 ( 5408 PWs) bands (ev): -28.1055 -28.1055 -28.1022 -28.1022 -10.9599 -10.9599 -10.9477 -10.9477 -9.8753 -9.8753 -9.8668 -9.8668 -9.7771 -9.7771 -9.7559 -9.7559 -3.3745 -3.3745 -2.9681 -2.9681 -0.8330 -0.8330 0.0112 0.0112 3.3128 3.3128 4.3456 4.3456 4.7800 4.7800 4.9432 4.9432 5.3339 5.3339 5.7027 5.7027 6.3111 6.3111 7.3514 7.3514 8.2709 8.2709 8.3424 8.3424 8.5635 8.5635 9.3462 9.3462 k = 0.0946 0.4379-0.0905 ( 5416 PWs) bands (ev): -28.1057 -28.1057 -28.1023 -28.1023 -10.9596 -10.9596 -10.9472 -10.9472 -9.8760 -9.8760 -9.8674 -9.8674 -9.7750 -9.7750 -9.7536 -9.7536 -3.3922 -3.3922 -2.9879 -2.9879 -0.8376 -0.8376 0.0356 0.0356 3.2956 3.2956 4.4028 4.4028 4.8026 4.8026 5.0637 5.0637 5.3067 5.3067 5.7215 5.7215 6.4200 6.4200 7.4558 7.4558 8.1508 8.1508 8.2323 8.2323 8.4580 8.4580 9.2503 9.2503 k = 0.0811 0.4379-0.0905 ( 5422 PWs) bands (ev): -28.1058 -28.1058 -28.1024 -28.1024 -10.9593 -10.9593 -10.9468 -10.9468 -9.8767 -9.8767 -9.8679 -9.8679 -9.7732 -9.7732 -9.7517 -9.7517 -3.4076 -3.4076 -3.0050 -3.0050 -0.8418 -0.8418 0.0567 0.0567 3.2801 3.2801 4.4565 4.4565 4.8143 4.8143 5.1895 5.1895 5.2859 5.2859 5.7358 5.7358 6.5317 6.5317 7.5551 7.5551 8.0052 8.0052 8.1425 8.1425 8.3680 8.3680 9.1522 9.1522 k = 0.0676 0.4379-0.0905 ( 5412 PWs) bands (ev): -28.1059 -28.1059 -28.1025 -28.1025 -10.9591 -10.9591 -10.9465 -10.9465 -9.8772 -9.8772 -9.8684 -9.8684 -9.7716 -9.7716 -9.7500 -9.7500 -3.4206 -3.4206 -3.0196 -3.0196 -0.8456 -0.8456 0.0743 0.0743 3.2666 3.2666 4.5038 4.5038 4.8284 4.8284 5.2257 5.2257 5.3517 5.3517 5.7474 5.7474 6.6434 6.6434 7.6335 7.6335 7.8726 7.8726 8.0594 8.0594 8.2902 8.2902 9.0536 9.0536 k = 0.0541 0.4379-0.0905 ( 5412 PWs) bands (ev): -28.1060 -28.1060 -28.1026 -28.1026 -10.9589 -10.9589 -10.9462 -10.9462 -9.8777 -9.8777 -9.8687 -9.8687 -9.7702 -9.7702 -9.7485 -9.7485 -3.4313 -3.4313 -3.0315 -3.0315 -0.8488 -0.8488 0.0886 0.0886 3.2553 3.2553 4.5420 4.5420 4.8492 4.8492 5.1969 5.1969 5.4723 5.4723 5.7579 5.7579 6.7524 6.7524 7.6187 7.6187 7.8274 7.8274 7.9876 7.9876 8.2240 8.2240 8.9569 8.9569 k = 0.0405 0.4379-0.0905 ( 5414 PWs) bands (ev): -28.1061 -28.1061 -28.1026 -28.1026 -10.9587 -10.9587 -10.9460 -10.9460 -9.8780 -9.8780 -9.8690 -9.8690 -9.7692 -9.7692 -9.7474 -9.7474 -3.4396 -3.4396 -3.0408 -3.0408 -0.8514 -0.8514 0.0997 0.0997 3.2465 3.2465 4.5698 4.5698 4.8775 4.8775 5.1619 5.1619 5.5803 5.5803 5.7702 5.7702 6.8551 6.8551 7.5120 7.5120 7.8372 7.8372 7.9646 7.9646 8.1707 8.1707 8.8656 8.8656 k = 0.0270 0.4379-0.0905 ( 5416 PWs) bands (ev): -28.1061 -28.1061 -28.1026 -28.1026 -10.9586 -10.9586 -10.9459 -10.9459 -9.8783 -9.8783 -9.8693 -9.8693 -9.7684 -9.7684 -9.7466 -9.7466 -3.4455 -3.4455 -3.0475 -3.0475 -0.8533 -0.8533 0.1075 0.1075 3.2400 3.2400 4.5876 4.5876 4.9109 4.9109 5.1259 5.1259 5.6591 5.6591 5.7893 5.7893 6.9466 6.9466 7.4034 7.4034 7.7967 7.7967 8.0123 8.0123 8.1319 8.1319 8.7859 8.7859 k = 0.0135 0.4379-0.0905 ( 5418 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9458 -10.9458 -9.8785 -9.8785 -9.8694 -9.8694 -9.7680 -9.7680 -9.7462 -9.7462 -3.4491 -3.4491 -3.0515 -3.0515 -0.8545 -0.8545 0.1122 0.1122 3.2361 3.2361 4.5973 4.5973 4.9426 4.9426 5.0939 5.0939 5.6986 5.6986 5.8149 5.8149 7.0182 7.0182 7.3202 7.3202 7.7558 7.7558 8.0598 8.0598 8.1106 8.1106 8.7283 8.7283 k = 0.0000 0.4379-0.0905 ( 5428 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9457 -10.9457 -9.8785 -9.8785 -9.8694 -9.8694 -9.7678 -9.7678 -9.7460 -9.7460 -3.4503 -3.4503 -3.0528 -3.0528 -0.8549 -0.8549 0.1138 0.1138 3.2348 3.2348 4.6003 4.6003 4.9577 4.9577 5.0788 5.0788 5.7088 5.7088 5.8277 5.8277 7.0489 7.0489 7.2857 7.2857 7.7400 7.7400 8.0748 8.0748 8.1076 8.1076 8.7066 8.7066 k = 0.0000 0.4379-0.0905 ( 5428 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9457 -10.9457 -9.8785 -9.8785 -9.8694 -9.8694 -9.7678 -9.7678 -9.7460 -9.7460 -3.4503 -3.4503 -3.0528 -3.0528 -0.8549 -0.8549 0.1138 0.1138 3.2348 3.2348 4.6003 4.6003 4.9577 4.9577 5.0788 5.0788 5.7088 5.7088 5.8277 5.8277 7.0489 7.0489 7.2857 7.2857 7.7400 7.7400 8.0748 8.0748 8.1076 8.1076 8.7066 8.7066 k = 0.0000 0.4404-0.0782 ( 5420 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9457 -10.9457 -9.8785 -9.8785 -9.8694 -9.8694 -9.7678 -9.7678 -9.7460 -9.7460 -3.4499 -3.4499 -3.0534 -3.0534 -0.8541 -0.8541 0.1137 0.1137 3.2340 3.2340 4.6018 4.6018 4.9593 4.9593 5.0666 5.0666 5.7172 5.7172 5.8313 5.8313 7.0446 7.0446 7.2903 7.2903 7.7427 7.7427 8.0529 8.0529 8.1261 8.1261 8.7060 8.7060 k = 0.0000 0.4430-0.0659 ( 5417 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9457 -10.9457 -9.8785 -9.8785 -9.8694 -9.8694 -9.7678 -9.7678 -9.7460 -9.7460 -3.4490 -3.4490 -3.0554 -3.0554 -0.8516 -0.8516 0.1133 0.1133 3.2317 3.2317 4.6058 4.6058 4.9632 4.9632 5.0343 5.0343 5.7350 5.7350 5.8466 5.8466 7.0325 7.0325 7.3034 7.3034 7.7510 7.7510 8.0176 8.0176 8.1518 8.1518 8.7043 8.7043 k = 0.0000 0.4455-0.0536 ( 5415 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9457 -10.9457 -9.8786 -9.8786 -9.8693 -9.8693 -9.7678 -9.7678 -9.7460 -9.7460 -3.4474 -3.4474 -3.0586 -3.0586 -0.8476 -0.8476 0.1126 0.1126 3.2280 3.2280 4.6108 4.6108 4.9607 4.9607 4.9989 4.9989 5.7468 5.7468 5.8819 5.8819 7.0139 7.0139 7.3236 7.3236 7.7642 7.7642 7.9793 7.9793 8.1752 8.1752 8.7013 8.7013 k = 0.0000 0.4481-0.0413 ( 5411 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9457 -10.9457 -9.8786 -9.8786 -9.8692 -9.8692 -9.7678 -9.7678 -9.7461 -9.7461 -3.4453 -3.4453 -3.0629 -3.0629 -0.8421 -0.8421 0.1116 0.1116 3.2235 3.2235 4.6133 4.6133 4.9223 4.9223 4.9992 4.9992 5.7471 5.7471 5.9361 5.9361 6.9901 6.9901 7.3495 7.3495 7.7813 7.7813 7.9403 7.9403 8.1956 8.1956 8.6970 8.6970 k = 0.0000 0.4506-0.0290 ( 5412 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9457 -10.9457 -9.8786 -9.8786 -9.8691 -9.8691 -9.7678 -9.7678 -9.7461 -9.7461 -3.4426 -3.4426 -3.0684 -3.0684 -0.8352 -0.8352 0.1102 0.1102 3.2186 3.2186 4.6077 4.6077 4.8761 4.8761 5.0168 5.0168 5.7398 5.7398 6.0005 6.0005 6.9620 6.9620 7.3800 7.3800 7.7991 7.7991 7.9049 7.9049 8.2132 8.2132 8.6911 8.6911 k = 0.0000 0.4532-0.0167 ( 5411 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9457 -10.9457 -9.8787 -9.8787 -9.8690 -9.8690 -9.7677 -9.7677 -9.7462 -9.7462 -3.4394 -3.4394 -3.0748 -3.0748 -0.8271 -0.8271 0.1085 0.1085 3.2139 3.2139 4.5867 4.5867 4.8421 4.8421 5.0417 5.0417 5.7280 5.7280 6.0686 6.0686 6.9299 6.9299 7.4141 7.4141 7.8057 7.8057 7.8857 7.8857 8.2281 8.2281 8.6837 8.6837 k = 0.0000 0.4557-0.0044 ( 5411 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9456 -10.9456 -9.8787 -9.8787 -9.8688 -9.8688 -9.7677 -9.7677 -9.7463 -9.7463 -3.4358 -3.4358 -3.0821 -3.0821 -0.8178 -0.8178 0.1064 0.1064 3.2100 3.2100 4.5470 4.5470 4.8258 4.8258 5.0730 5.0730 5.7134 5.7134 6.1364 6.1364 6.8941 6.8941 7.4510 7.4510 7.7870 7.7870 7.8980 7.8980 8.2409 8.2409 8.6746 8.6746 k = 0.0000 0.4582 0.0079 ( 5413 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9456 -10.9456 -9.8788 -9.8788 -9.8687 -9.8687 -9.7677 -9.7677 -9.7463 -9.7463 -3.4319 -3.4319 -3.0899 -3.0899 -0.8077 -0.8077 0.1039 0.1039 3.2074 3.2074 4.4928 4.4928 4.8237 4.8237 5.1104 5.1104 5.6971 5.6971 6.2014 6.2014 6.8545 6.8545 7.4890 7.4890 7.7578 7.7578 7.9282 7.9282 8.2519 8.2519 8.6636 8.6636 k = 0.0000 0.4608 0.0202 ( 5413 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9455 -10.9455 -9.8789 -9.8789 -9.8685 -9.8685 -9.7677 -9.7677 -9.7464 -9.7464 -3.4278 -3.4278 -3.0983 -3.0983 -0.7968 -0.7968 0.1009 0.1009 3.2067 3.2067 4.4310 4.4310 4.8296 4.8296 5.1534 5.1534 5.6798 5.6798 6.2617 6.2617 6.8114 6.8114 7.5251 7.5251 7.7324 7.7324 7.9652 7.9652 8.2617 8.2617 8.6507 8.6507 k = 0.0000 0.4633 0.0325 ( 5419 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9455 -10.9455 -9.8790 -9.8790 -9.8683 -9.8683 -9.7677 -9.7677 -9.7465 -9.7465 -3.4236 -3.4236 -3.1068 -3.1068 -0.7854 -0.7854 0.0975 0.0975 3.2083 3.2083 4.3667 4.3667 4.8391 4.8391 5.2012 5.2012 5.6622 5.6622 6.3160 6.3160 6.7651 6.7651 7.5527 7.5527 7.7199 7.7199 8.0052 8.0052 8.2707 8.2707 8.6361 8.6361 k = 0.0000 0.4659 0.0448 ( 5412 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9585 -10.9585 -10.9454 -10.9454 -9.8790 -9.8790 -9.8680 -9.8680 -9.7676 -9.7676 -9.7465 -9.7465 -3.4195 -3.4195 -3.1154 -3.1154 -0.7738 -0.7738 0.0937 0.0937 3.2125 3.2125 4.3027 4.3027 4.8499 4.8499 5.2529 5.2529 5.6450 5.6450 6.3628 6.3628 6.7163 6.7163 7.5633 7.5633 7.7291 7.7291 8.0460 8.0460 8.2797 8.2797 8.6198 8.6198 k = 0.0000 0.4684 0.0571 ( 5407 PWs) bands (ev): -28.1062 -28.1062 -28.1027 -28.1027 -10.9586 -10.9586 -10.9453 -10.9453 -9.8791 -9.8791 -9.8678 -9.8678 -9.7676 -9.7676 -9.7465 -9.7465 -3.4157 -3.4157 -3.1237 -3.1237 -0.7622 -0.7622 0.0894 0.0894 3.2194 3.2194 4.2409 4.2409 4.8607 4.8607 5.3069 5.3069 5.6290 5.6290 6.4008 6.4008 6.6668 6.6668 7.5577 7.5577 7.7588 7.7588 8.0850 8.0850 8.2900 8.2900 8.6021 8.6021 k = 0.5000 0.4074 0.2381 ( 5434 PWs) bands (ev): -28.0992 -28.0992 -28.0992 -28.0992 -10.9696 -10.9696 -10.9695 -10.9695 -9.8603 -9.8603 -9.8585 -9.8585 -9.8263 -9.8263 -9.8245 -9.8245 -1.8968 -1.8968 -1.8955 -1.8955 -1.5042 -1.5042 -1.5024 -1.5024 3.0114 3.0114 3.0217 3.0217 4.0637 4.0637 4.0646 4.0646 5.0783 5.0783 5.0996 5.0996 5.8318 5.8318 5.8411 5.8411 8.7701 8.7701 8.8374 8.8374 10.4144 10.4144 10.5047 10.5047 k = 0.5000 0.3938 0.2381 ( 5438 PWs) bands (ev): -28.0993 -28.0993 -28.0993 -28.0993 -10.9695 -10.9695 -10.9694 -10.9694 -9.8600 -9.8600 -9.8586 -9.8586 -9.8261 -9.8261 -9.8245 -9.8245 -1.8965 -1.8965 -1.8950 -1.8950 -1.5096 -1.5096 -1.5074 -1.5074 3.0216 3.0216 3.0337 3.0337 4.0736 4.0736 4.0758 4.0758 5.0813 5.0813 5.1072 5.1072 5.8212 5.8212 5.8315 5.8315 8.7673 8.7673 8.8343 8.8343 10.4428 10.4428 10.5360 10.5360 k = 0.5000 0.3802 0.2381 ( 5434 PWs) bands (ev): -28.0993 -28.0993 -28.0993 -28.0993 -10.9694 -10.9694 -10.9692 -10.9692 -9.8598 -9.8598 -9.8585 -9.8585 -9.8259 -9.8259 -9.8244 -9.8244 -1.8962 -1.8962 -1.8945 -1.8945 -1.5167 -1.5167 -1.5140 -1.5140 3.0375 3.0375 3.0514 3.0514 4.0829 4.0829 4.0867 4.0867 5.0865 5.0865 5.1172 5.1172 5.8097 5.8097 5.8211 5.8211 8.7662 8.7662 8.8329 8.8329 10.4680 10.4680 10.5615 10.5615 k = 0.5000 0.3666 0.2381 ( 5430 PWs) bands (ev): -28.0993 -28.0993 -28.0993 -28.0993 -10.9693 -10.9693 -10.9690 -10.9690 -9.8595 -9.8595 -9.8585 -9.8585 -9.8256 -9.8256 -9.8243 -9.8243 -1.8958 -1.8958 -1.8939 -1.8939 -1.5253 -1.5253 -1.5222 -1.5222 3.0589 3.0589 3.0746 3.0746 4.0918 4.0918 4.0973 4.0973 5.0938 5.0938 5.1294 5.1294 5.7974 5.7974 5.8099 5.8099 8.7678 8.7678 8.8340 8.8340 10.4858 10.4858 10.5743 10.5743 k = 0.5000 0.3531 0.2381 ( 5434 PWs) bands (ev): -28.0993 -28.0993 -28.0993 -28.0993 -10.9692 -10.9692 -10.9688 -10.9688 -9.8592 -9.8592 -9.8583 -9.8583 -9.8253 -9.8253 -9.8242 -9.8242 -1.8954 -1.8954 -1.8934 -1.8934 -1.5353 -1.5353 -1.5318 -1.5318 3.0855 3.0855 3.1030 3.1030 4.1004 4.1004 4.1077 4.1077 5.1031 5.1031 5.1436 5.1436 5.7843 5.7843 5.7979 5.7979 8.7725 8.7725 8.8382 8.8382 10.4917 10.4917 10.5670 10.5670 k = 0.5000 0.3395 0.2381 ( 5436 PWs) bands (ev): -28.0994 -28.0994 -28.0994 -28.0994 -10.9690 -10.9690 -10.9686 -10.9686 -9.8588 -9.8588 -9.8582 -9.8582 -9.8250 -9.8250 -9.8240 -9.8240 -1.8950 -1.8950 -1.8928 -1.8928 -1.5468 -1.5468 -1.5429 -1.5429 3.1170 3.1170 3.1364 3.1364 4.1090 4.1090 4.1181 4.1181 5.1143 5.1143 5.1597 5.1597 5.7707 5.7707 5.7853 5.7853 8.7806 8.7806 8.8458 8.8458 10.4812 10.4812 10.5353 10.5353 k = 0.5000 0.3259 0.2381 ( 5430 PWs) bands (ev): -28.0994 -28.0994 -28.0994 -28.0994 -10.9688 -10.9688 -10.9684 -10.9684 -9.8584 -9.8584 -9.8580 -9.8580 -9.8246 -9.8246 -9.8238 -9.8238 -1.8945 -1.8945 -1.8922 -1.8922 -1.5594 -1.5594 -1.5552 -1.5552 3.1531 3.1531 3.1743 3.1743 4.1179 4.1179 4.1288 4.1288 5.1271 5.1271 5.1776 5.1776 5.7567 5.7567 5.7723 5.7723 8.7921 8.7921 8.8570 8.8570 10.4513 10.4513 10.4805 10.4805 k = 0.5000 0.3123 0.2381 ( 5420 PWs) bands (ev): -28.0994 -28.0994 -28.0994 -28.0994 -10.9686 -10.9686 -10.9681 -10.9681 -9.8581 -9.8581 -9.8579 -9.8579 -9.8242 -9.8242 -9.8235 -9.8235 -1.8940 -1.8940 -1.8915 -1.8915 -1.5731 -1.5731 -1.5686 -1.5686 3.1932 3.1932 3.2163 3.2163 4.1272 4.1272 4.1401 4.1401 5.1413 5.1413 5.1969 5.1969 5.7427 5.7427 5.7592 5.7592 8.8071 8.8071 8.8716 8.8716 10.4014 10.4014 10.4067 10.4067 k = 0.5000 0.2987 0.2381 ( 5426 PWs) bands (ev): -28.0995 -28.0995 -28.0995 -28.0995 -10.9683 -10.9683 -10.9678 -10.9678 -9.8578 -9.8578 -9.8577 -9.8577 -9.8236 -9.8236 -9.8232 -9.8232 -1.8934 -1.8934 -1.8908 -1.8908 -1.5877 -1.5877 -1.5830 -1.5830 3.2367 3.2367 3.2617 3.2617 4.1374 4.1374 4.1523 4.1523 5.1566 5.1566 5.2175 5.2175 5.7290 5.7290 5.7464 5.7464 8.8249 8.8249 8.8892 8.8892 10.3184 10.3184 10.3332 10.3332 k = 0.5000 0.2852 0.2381 ( 5430 PWs) bands (ev): -28.0995 -28.0995 -28.0995 -28.0995 -10.9681 -10.9681 -10.9675 -10.9675 -9.8576 -9.8576 -9.8575 -9.8575 -9.8231 -9.8231 -9.8227 -9.8227 -1.8928 -1.8928 -1.8901 -1.8901 -1.6031 -1.6031 -1.5982 -1.5982 3.2830 3.2830 3.3098 3.3098 4.1490 4.1490 4.1660 4.1660 5.1727 5.1727 5.2391 5.2391 5.7161 5.7161 5.7343 5.7343 8.8448 8.8448 8.9092 8.9092 10.2194 10.2194 10.2499 10.2499 k = 0.5000 0.2716 0.2381 ( 5432 PWs) bands (ev): -28.0996 -28.0996 -28.0996 -28.0996 -10.9678 -10.9678 -10.9672 -10.9672 -9.8575 -9.8575 -9.8573 -9.8573 -9.8224 -9.8224 -9.8222 -9.8222 -1.8921 -1.8921 -1.8894 -1.8894 -1.6190 -1.6190 -1.6141 -1.6141 3.3313 3.3313 3.3597 3.3597 4.1624 4.1624 4.1819 4.1819 5.1893 5.1893 5.2613 5.2613 5.7044 5.7044 5.7232 5.7232 8.8655 8.8655 8.9305 8.9305 10.1133 10.1133 10.1550 10.1550 k = 0.5000 0.2580 0.2381 ( 5420 PWs) bands (ev): -28.0996 -28.0996 -28.0996 -28.0996 -10.9675 -10.9675 -10.9669 -10.9669 -9.8575 -9.8575 -9.8571 -9.8571 -9.8217 -9.8217 -9.8215 -9.8215 -1.8914 -1.8914 -1.8887 -1.8887 -1.6353 -1.6353 -1.6303 -1.6303 3.3806 3.3806 3.4104 3.4104 4.1782 4.1782 4.2006 4.2006 5.2058 5.2058 5.2839 5.2839 5.6945 5.6945 5.7137 5.7137 8.8851 8.8851 8.9514 8.9514 10.0038 10.0038 10.0525 10.0525 k = 0.5000 0.2444 0.2381 ( 5424 PWs) bands (ev): -28.0997 -28.0997 -28.0997 -28.0997 -10.9672 -10.9672 -10.9666 -10.9666 -9.8574 -9.8574 -9.8570 -9.8570 -9.8209 -9.8209 -9.8208 -9.8208 -1.8906 -1.8906 -1.8879 -1.8879 -1.6519 -1.6519 -1.6469 -1.6469 3.4299 3.4299 3.4608 3.4608 4.1973 4.1973 4.2232 4.2232 5.2220 5.2220 5.3064 5.3064 5.6869 5.6869 5.7063 5.7063 8.9008 8.9008 8.9695 8.9695 9.8954 9.8954 9.9468 9.9468 k = 0.5000 0.2309 0.2381 ( 5430 PWs) bands (ev): -28.0997 -28.0997 -28.0997 -28.0997 -10.9669 -10.9669 -10.9663 -10.9663 -9.8575 -9.8575 -9.8570 -9.8570 -9.8200 -9.8200 -9.8200 -9.8200 -1.8899 -1.8899 -1.8872 -1.8872 -1.6686 -1.6686 -1.6636 -1.6636 3.4779 3.4779 3.5094 3.5094 4.2203 4.2203 4.2505 4.2505 5.2373 5.2373 5.3286 5.3286 5.6820 5.6820 5.7015 5.7015 8.9081 8.9081 8.9810 8.9810 9.7934 9.7934 9.8431 9.8431 k = 0.5000 0.2173 0.2381 ( 5428 PWs) bands (ev): -28.0998 -28.0998 -28.0998 -28.0998 -10.9666 -10.9666 -10.9660 -10.9660 -9.8576 -9.8576 -9.8570 -9.8570 -9.8191 -9.8191 -9.8191 -9.8191 -1.8891 -1.8891 -1.8865 -1.8865 -1.6851 -1.6851 -1.6803 -1.6803 3.5237 3.5237 3.5551 3.5551 4.2480 4.2480 4.2835 4.2835 5.2515 5.2515 5.3502 5.3502 5.6803 5.6803 5.6997 5.6997 8.9010 8.9010 8.9802 8.9802 9.7048 9.7048 9.7485 9.7485 k = 0.5000 0.2037 0.2381 ( 5426 PWs) bands (ev): -28.0998 -28.0998 -28.0998 -28.0998 -10.9663 -10.9663 -10.9657 -10.9657 -9.8577 -9.8577 -9.8571 -9.8571 -9.8182 -9.8182 -9.8181 -9.8181 -1.8883 -1.8883 -1.8858 -1.8858 -1.7014 -1.7014 -1.6968 -1.6968 3.5659 3.5659 3.5966 3.5966 4.2811 4.2811 4.3229 4.3229 5.2643 5.2643 5.3708 5.3708 5.6819 5.6819 5.7011 5.7011 8.8725 8.8725 8.9598 8.9598 9.6371 9.6371 9.6709 9.6709 k = 0.5000 0.1901 0.2381 ( 5426 PWs) bands (ev): -28.0999 -28.0999 -28.0999 -28.0999 -10.9660 -10.9660 -10.9654 -10.9654 -9.8579 -9.8579 -9.8572 -9.8572 -9.8172 -9.8172 -9.8171 -9.8171 -1.8875 -1.8875 -1.8851 -1.8851 -1.7174 -1.7174 -1.7129 -1.7129 3.6037 3.6037 3.6330 3.6330 4.3199 4.3199 4.3691 4.3691 5.2759 5.2759 5.3905 5.3905 5.6869 5.6869 5.7061 5.7061 8.8180 8.8180 8.9133 8.9133 9.5958 9.5958 9.6175 9.6175 k = 0.5000 0.1765 0.2381 ( 5424 PWs) bands (ev): -28.1000 -28.1000 -28.1000 -28.1000 -10.9657 -10.9657 -10.9651 -10.9651 -9.8580 -9.8580 -9.8574 -9.8574 -9.8161 -9.8161 -9.8160 -9.8160 -1.8867 -1.8867 -1.8845 -1.8845 -1.7327 -1.7327 -1.7285 -1.7285 3.6365 3.6365 3.6639 3.6639 4.3643 4.3643 4.4220 4.4220 5.2865 5.2865 5.4094 5.4094 5.6951 5.6951 5.7144 5.7144 8.7381 8.7381 8.8395 8.8395 9.5802 9.5802 9.5895 9.5895 k = 0.5000 0.1630 0.2381 ( 5428 PWs) bands (ev): -28.1000 -28.1000 -28.1000 -28.1000 -10.9654 -10.9654 -10.9648 -10.9648 -9.8583 -9.8583 -9.8577 -9.8577 -9.8151 -9.8151 -9.8150 -9.8150 -1.8860 -1.8860 -1.8840 -1.8840 -1.7474 -1.7474 -1.7435 -1.7435 3.6641 3.6641 3.6893 3.6893 4.4138 4.4138 4.4806 4.4806 5.2967 5.2967 5.4279 5.4279 5.7061 5.7061 5.7256 5.7256 8.6385 8.6385 8.7431 8.7431 9.5817 9.5817 9.5849 9.5849 k = 0.5000 0.1494 0.2381 ( 5426 PWs) bands (ev): -28.1001 -28.1001 -28.1001 -28.1001 -10.9651 -10.9651 -10.9646 -10.9646 -9.8585 -9.8585 -9.8579 -9.8579 -9.8140 -9.8140 -9.8139 -9.8139 -1.8853 -1.8853 -1.8835 -1.8835 -1.7614 -1.7614 -1.7578 -1.7578 3.6868 3.6868 3.7094 3.7094 4.4674 4.4674 4.5435 4.5435 5.3075 5.3075 5.4465 5.4465 5.7191 5.7191 5.7392 5.7392 8.5263 8.5263 8.6317 8.6317 9.5851 9.5851 9.6024 9.6024 k = 0.5000 0.1358 0.2381 ( 5424 PWs) bands (ev): -28.1001 -28.1001 -28.1001 -28.1001 -10.9649 -10.9649 -10.9643 -10.9643 -9.8588 -9.8588 -9.8582 -9.8582 -9.8130 -9.8130 -9.8129 -9.8129 -1.8846 -1.8846 -1.8831 -1.8831 -1.7744 -1.7744 -1.7712 -1.7712 3.7050 3.7050 3.7251 3.7251 4.5237 4.5237 4.6088 4.6088 5.3199 5.3199 5.4660 5.4660 5.7335 5.7335 5.7543 5.7543 8.4073 8.4073 8.5119 8.5119 9.5903 9.5903 9.6255 9.6255 k = 0.5000 0.1222 0.2381 ( 5416 PWs) bands (ev): -28.1001 -28.1001 -28.1001 -28.1001 -10.9646 -10.9646 -10.9641 -10.9641 -9.8590 -9.8590 -9.8585 -9.8585 -9.8120 -9.8120 -9.8119 -9.8119 -1.8840 -1.8840 -1.8827 -1.8827 -1.7864 -1.7864 -1.7836 -1.7836 3.7192 3.7192 3.7368 3.7368 4.5810 4.5810 4.6740 4.6740 5.3354 5.3354 5.4870 5.4870 5.7484 5.7484 5.7699 5.7699 8.2864 8.2864 8.3889 8.3889 9.5892 9.5892 9.6461 9.6461 k = 0.5000 0.1086 0.2381 ( 5414 PWs) bands (ev): -28.1002 -28.1002 -28.1002 -28.1002 -10.9644 -10.9644 -10.9639 -10.9639 -9.8592 -9.8592 -9.8588 -9.8588 -9.8111 -9.8111 -9.8110 -9.8110 -1.8835 -1.8835 -1.8825 -1.8825 -1.7973 -1.7973 -1.7949 -1.7949 3.7303 3.7303 3.7455 3.7455 4.6375 4.6375 4.7362 4.7362 5.3558 5.3558 5.5102 5.5102 5.7629 5.7629 5.7850 5.7850 8.1673 8.1673 8.2664 8.2664 9.5772 9.5772 9.6543 9.6543 k = 0.5000 0.0951 0.2381 ( 5422 PWs) bands (ev): -28.1002 -28.1002 -28.1002 -28.1002 -10.9642 -10.9642 -10.9638 -10.9638 -9.8595 -9.8595 -9.8590 -9.8590 -9.8102 -9.8102 -9.8101 -9.8101 -1.8831 -1.8831 -1.8824 -1.8824 -1.8070 -1.8070 -1.8050 -1.8050 3.7387 3.7387 3.7517 3.7517 4.6917 4.6917 4.7926 4.7926 5.3825 5.3825 5.5359 5.5359 5.7763 5.7763 5.7984 5.7984 8.0530 8.0530 8.1474 8.1474 9.5554 9.5554 9.6417 9.6417 k = 0.5000 0.0815 0.2381 ( 5428 PWs) bands (ev): -28.1002 -28.1002 -28.1002 -28.1002 -10.9640 -10.9640 -10.9636 -10.9636 -9.8597 -9.8597 -9.8593 -9.8593 -9.8095 -9.8095 -9.8094 -9.8094 -1.8828 -1.8828 -1.8823 -1.8823 -1.8154 -1.8154 -1.8139 -1.8139 3.7450 3.7450 3.7559 3.7559 4.7421 4.7421 4.8405 4.8405 5.4167 5.4167 5.5638 5.5638 5.7876 5.7876 5.8091 5.8091 7.9466 7.9466 8.0345 8.0345 9.5286 9.5286 9.6116 9.6116 k = 0.5000 0.0679 0.2381 ( 5426 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9638 -10.9638 -10.9635 -10.9635 -9.8599 -9.8599 -9.8595 -9.8595 -9.8088 -9.8088 -9.8087 -9.8087 -1.8826 -1.8826 -1.8824 -1.8824 -1.8226 -1.8226 -1.8215 -1.8215 3.7498 3.7498 3.7587 3.7587 4.7874 4.7874 4.8781 4.8781 5.4583 5.4583 5.5935 5.5935 5.7962 5.7962 5.8158 5.8158 7.8510 7.8510 7.9305 7.9305 9.5017 9.5017 9.5743 9.5743 k = 0.5000 0.0543 0.2381 ( 5432 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9637 -10.9637 -10.9634 -10.9634 -9.8600 -9.8600 -9.8597 -9.8597 -9.8082 -9.8082 -9.8082 -9.8082 -1.8825 -1.8825 -1.8825 -1.8825 -1.8284 -1.8284 -1.8276 -1.8276 3.7534 3.7534 3.7604 3.7604 4.8269 4.8269 4.9049 4.9049 5.5057 5.5057 5.6234 5.6234 5.8013 5.8013 5.8175 5.8175 7.7692 7.7692 7.8377 7.8377 9.4780 9.4780 9.5373 9.5373 k = 0.5000 0.0407 0.2381 ( 5438 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9635 -10.9635 -10.9633 -10.9633 -9.8601 -9.8601 -9.8599 -9.8599 -9.8077 -9.8077 -9.8077 -9.8077 -1.8826 -1.8826 -1.8826 -1.8826 -1.8329 -1.8329 -1.8324 -1.8324 3.7560 3.7560 3.7612 3.7612 4.8602 4.8602 4.9216 4.9216 5.5559 5.5559 5.6514 5.6514 5.8027 5.8027 5.8138 5.8138 7.7042 7.7042 7.7590 7.7590 9.4596 9.4596 9.5045 9.5045 k = 0.5000 0.0272 0.2381 ( 5444 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9634 -10.9634 -10.9633 -10.9633 -9.8602 -9.8602 -9.8601 -9.8601 -9.8074 -9.8074 -9.8074 -9.8074 -1.8827 -1.8827 -1.8826 -1.8826 -1.8361 -1.8361 -1.8359 -1.8359 3.7580 3.7580 3.7614 3.7614 4.8870 4.8870 4.9292 4.9292 5.6046 5.6046 5.6738 5.6738 5.8005 5.8005 5.8054 5.8054 7.6586 7.6586 7.6971 7.6971 9.4479 9.4479 9.4779 9.4779 k = 0.5000 0.0136 0.2381 ( 5450 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9634 -10.9634 -10.9633 -10.9633 -9.8602 -9.8602 -9.8602 -9.8602 -9.8072 -9.8072 -9.8072 -9.8072 -1.8828 -1.8828 -1.8827 -1.8827 -1.8380 -1.8380 -1.8379 -1.8379 3.7594 3.7594 3.7611 3.7611 4.9075 4.9075 4.9289 4.9289 5.6468 5.6468 5.6845 5.6845 5.7960 5.7960 5.7962 5.7962 7.6346 7.6346 7.6545 7.6545 9.4436 9.4436 9.4586 9.4586 k = 0.5000-0.0000 0.2381 ( 5452 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8602 -9.8602 -9.8602 -9.8602 -9.8071 -9.8071 -9.8071 -9.8071 -1.8828 -1.8828 -1.8828 -1.8828 -1.8386 -1.8386 -1.8386 -1.8386 3.7605 3.7605 3.7605 3.7605 4.9215 4.9215 4.9215 4.9215 5.6757 5.6757 5.6757 5.6757 5.7928 5.7928 5.7928 5.7928 7.6332 7.6332 7.6332 7.6332 9.4471 9.4471 9.4471 9.4471 k = 0.5000-0.0000 0.2381 ( 5452 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8602 -9.8602 -9.8602 -9.8602 -9.8071 -9.8071 -9.8071 -9.8071 -1.8828 -1.8828 -1.8828 -1.8828 -1.8386 -1.8386 -1.8386 -1.8386 3.7605 3.7605 3.7605 3.7605 4.9215 4.9215 4.9215 4.9215 5.6757 5.6757 5.6757 5.6757 5.7928 5.7928 5.7928 5.7928 7.6332 7.6332 7.6332 7.6332 9.4471 9.4471 9.4471 9.4471 k = 0.5000-0.0000 0.2249 ( 5446 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8602 -9.8602 -9.8602 -9.8602 -9.8072 -9.8072 -9.8072 -9.8072 -1.8886 -1.8886 -1.8884 -1.8884 -1.8327 -1.8327 -1.8326 -1.8326 3.7542 3.7542 3.7554 3.7554 4.9279 4.9279 4.9298 4.9298 5.6721 5.6721 5.6801 5.6801 5.7904 5.7904 5.7979 5.7979 7.6327 7.6327 7.6352 7.6352 9.4340 9.4340 9.4363 9.4363 k = 0.5000-0.0000 0.2117 ( 5442 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8601 -9.8601 -9.8601 -9.8601 -9.8072 -9.8072 -9.8072 -9.8072 -1.9009 -1.9009 -1.9007 -1.9007 -1.8198 -1.8198 -1.8196 -1.8196 3.7373 3.7373 3.7396 3.7396 4.9483 4.9483 4.9519 4.9519 5.6694 5.6694 5.6855 5.6855 5.7908 5.7908 5.8058 5.8058 7.6335 7.6335 7.6385 7.6385 9.3975 9.3975 9.4020 9.4020 k = 0.5000-0.0000 0.1984 ( 5442 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8600 -9.8600 -9.8600 -9.8600 -9.8074 -9.8074 -9.8074 -9.8074 -1.9151 -1.9151 -1.9149 -1.9149 -1.8045 -1.8045 -1.8042 -1.8042 3.7114 3.7114 3.7144 3.7144 4.9808 4.9808 4.9858 4.9858 5.6679 5.6679 5.6921 5.6921 5.7941 5.7941 5.8166 5.8166 7.6358 7.6358 7.6431 7.6431 9.3389 9.3389 9.3454 9.3454 k = 0.5000-0.0000 0.1852 ( 5434 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8599 -9.8599 -9.8599 -9.8599 -9.8075 -9.8075 -9.8075 -9.8075 -1.9296 -1.9296 -1.9294 -1.9294 -1.7884 -1.7884 -1.7882 -1.7882 3.6784 3.6784 3.6820 3.6820 5.0227 5.0227 5.0284 5.0284 5.6679 5.6679 5.7005 5.7005 5.8007 5.8007 5.8306 5.8306 7.6394 7.6394 7.6489 7.6489 9.2609 9.2609 9.2688 9.2688 k = 0.5000-0.0000 0.1720 ( 5432 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8597 -9.8597 -9.8597 -9.8597 -9.8077 -9.8077 -9.8077 -9.8077 -1.9439 -1.9439 -1.9436 -1.9436 -1.7723 -1.7723 -1.7720 -1.7720 3.6405 3.6405 3.6446 3.6446 5.0706 5.0706 5.0762 5.0762 5.6700 5.6700 5.7109 5.7109 5.8116 5.8116 5.8484 5.8484 7.6442 7.6442 7.6558 7.6558 9.1667 9.1667 9.1755 9.1755 k = 0.5000-0.0000 0.1587 ( 5432 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8595 -9.8595 -9.8595 -9.8595 -9.8079 -9.8079 -9.8079 -9.8079 -1.9576 -1.9576 -1.9573 -1.9573 -1.7563 -1.7563 -1.7561 -1.7561 3.5999 3.5999 3.6041 3.6041 5.1209 5.1209 5.1258 5.1258 5.6744 5.6744 5.7229 5.7229 5.8284 5.8284 5.8709 5.8709 7.6500 7.6500 7.6635 7.6635 9.0600 9.0600 9.0692 9.0692 k = 0.5000-0.0000 0.1455 ( 5430 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8593 -9.8593 -9.8593 -9.8593 -9.8082 -9.8082 -9.8082 -9.8082 -1.9706 -1.9706 -1.9703 -1.9703 -1.7409 -1.7409 -1.7407 -1.7407 3.5581 3.5581 3.5623 3.5623 5.1702 5.1702 5.1735 5.1735 5.6815 5.6815 5.7354 5.7354 5.8538 5.8538 5.8995 5.8995 7.6568 7.6568 7.6719 7.6719 8.9444 8.9444 8.9533 8.9533 k = 0.5000-0.0000 0.1323 ( 5434 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8590 -9.8590 -9.8590 -9.8590 -9.8085 -9.8085 -9.8085 -9.8085 -1.9827 -1.9827 -1.9825 -1.9825 -1.7261 -1.7261 -1.7259 -1.7259 3.5167 3.5167 3.5207 3.5207 5.2154 5.2154 5.2167 5.2167 5.6909 5.6909 5.7468 5.7468 5.8905 5.8905 5.9358 5.9358 7.6642 7.6642 7.6807 7.6807 8.8229 8.8229 8.8312 8.8312 k = 0.5000-0.0000 0.1191 ( 5428 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8588 -9.8588 -9.8588 -9.8588 -9.8088 -9.8088 -9.8088 -9.8088 -1.9939 -1.9939 -1.9937 -1.9937 -1.7121 -1.7121 -1.7119 -1.7119 3.4766 3.4766 3.4804 3.4804 5.2533 5.2533 5.2542 5.2542 5.7021 5.7021 5.7563 5.7563 5.9396 5.9396 5.9809 5.9809 7.6720 7.6720 7.6897 7.6897 8.6983 8.6983 8.7055 8.7055 k = 0.5000-0.0000 0.1058 ( 5426 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8585 -9.8585 -9.8585 -9.8585 -9.8091 -9.8091 -9.8091 -9.8091 -2.0042 -2.0042 -2.0040 -2.0040 -1.6991 -1.6991 -1.6990 -1.6990 3.4389 3.4389 3.4424 3.4424 5.2828 5.2828 5.2856 5.2856 5.7140 5.7140 5.7638 5.7638 6.0004 6.0004 6.0354 6.0354 7.6798 7.6798 7.6984 7.6984 8.5731 8.5731 8.5789 8.5789 k = 0.5000-0.0000 0.0926 ( 5418 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8582 -9.8582 -9.8582 -9.8582 -9.8093 -9.8093 -9.8093 -9.8093 -2.0133 -2.0133 -2.0131 -2.0131 -1.6873 -1.6873 -1.6872 -1.6872 3.4043 3.4043 3.4074 3.4074 5.3055 5.3055 5.3096 5.3096 5.7256 5.7256 5.7694 5.7694 6.0703 6.0703 6.0984 6.0984 7.6873 7.6873 7.7066 7.7066 8.4498 8.4498 8.4538 8.4538 k = 0.5000-0.0000 0.0794 ( 5416 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8580 -9.8580 -9.8580 -9.8580 -9.8096 -9.8096 -9.8096 -9.8096 -2.0213 -2.0213 -2.0212 -2.0212 -1.6768 -1.6768 -1.6766 -1.6766 3.3732 3.3732 3.3760 3.3760 5.3225 5.3225 5.3271 5.3271 5.7364 5.7364 5.7736 5.7736 6.1462 6.1462 6.1677 6.1677 7.6939 7.6939 7.7137 7.7137 8.3311 8.3311 8.3329 8.3329 k = 0.5000-0.0000 0.0661 ( 5414 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8578 -9.8578 -9.8578 -9.8578 -9.8099 -9.8099 -9.8099 -9.8099 -2.0282 -2.0282 -2.0281 -2.0281 -1.6676 -1.6676 -1.6675 -1.6675 3.3463 3.3463 3.3487 3.3487 5.3349 5.3349 5.3395 5.3395 5.7460 5.7460 5.7765 5.7765 6.2242 6.2242 6.2399 6.2399 7.6992 7.6992 7.7193 7.7193 8.2194 8.2194 8.2201 8.2201 k = 0.5000-0.0000 0.0529 ( 5414 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8576 -9.8576 -9.8576 -9.8576 -9.8101 -9.8101 -9.8101 -9.8101 -2.0339 -2.0339 -2.0338 -2.0338 -1.6600 -1.6600 -1.6599 -1.6599 3.3239 3.3239 3.3258 3.3258 5.3438 5.3438 5.3480 5.3480 5.7543 5.7543 5.7782 5.7782 6.3000 6.3000 6.3109 6.3109 7.7026 7.7026 7.7224 7.7224 8.1172 8.1172 8.1204 8.1204 k = 0.5000-0.0000 0.0397 ( 5414 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9632 -10.9632 -10.9632 -10.9632 -9.8574 -9.8574 -9.8574 -9.8574 -9.8103 -9.8103 -9.8103 -9.8103 -2.0383 -2.0383 -2.0382 -2.0382 -1.6539 -1.6539 -1.6538 -1.6538 3.3062 3.3062 3.3076 3.3076 5.3501 5.3501 5.3534 5.3534 5.7612 5.7612 5.7789 5.7789 6.3685 6.3685 6.3756 6.3756 7.7036 7.7036 7.7222 7.7222 8.0313 8.0313 8.0365 8.0365 k = 0.5000-0.0000 0.0265 ( 5420 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9631 -10.9631 -10.9631 -10.9631 -9.8573 -9.8573 -9.8573 -9.8573 -9.8104 -9.8104 -9.8104 -9.8104 -2.0415 -2.0415 -2.0414 -2.0414 -1.6495 -1.6495 -1.6495 -1.6495 3.2935 3.2935 3.2945 3.2945 5.3543 5.3543 5.3567 5.3567 5.7669 5.7669 5.7786 5.7786 6.4241 6.4241 6.4282 6.4282 7.7027 7.7027 7.7179 7.7179 7.9672 7.9672 7.9731 7.9731 k = 0.5000-0.0000 0.0132 ( 5420 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9631 -10.9631 -10.9631 -10.9631 -9.8572 -9.8572 -9.8572 -9.8572 -9.8105 -9.8105 -9.8105 -9.8105 -2.0434 -2.0434 -2.0434 -2.0434 -1.6469 -1.6469 -1.6469 -1.6469 3.2859 3.2859 3.2864 3.2864 5.3570 5.3570 5.3582 5.3582 5.7714 5.7714 5.7772 5.7772 6.4610 6.4610 6.4628 6.4628 7.7018 7.7018 7.7106 7.7106 7.9294 7.9294 7.9334 7.9334 k = 0.5000-0.0000-0.0000 ( 5420 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9631 -10.9631 -10.9631 -10.9631 -9.8572 -9.8572 -9.8572 -9.8572 -9.8105 -9.8105 -9.8105 -9.8105 -2.0440 -2.0440 -2.0440 -2.0440 -1.6460 -1.6460 -1.6460 -1.6460 3.2836 3.2836 3.2836 3.2836 5.3582 5.3582 5.3582 5.3582 5.7748 5.7748 5.7748 5.7748 6.4744 6.4744 6.4744 6.4744 7.7041 7.7041 7.7041 7.7041 7.9186 7.9186 7.9186 7.9186 k = 0.0000 0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9296 -10.9296 -9.8564 -9.8564 -9.8311 -9.8311 -9.7600 -9.7600 -9.7484 -9.7484 -3.6958 -3.6958 -3.6675 -3.6675 -0.2562 -0.2562 0.9369 0.9369 3.5531 3.5531 4.3533 4.3533 4.9480 4.9480 5.0658 5.0658 5.0897 5.0897 6.4653 6.4653 6.5393 6.5393 7.6958 7.6958 8.1922 8.1922 8.2512 8.2512 8.9782 8.9782 9.1240 9.1240 k = 0.0135-0.0000 0.2381 ( 5422 PWs) bands (ev): -28.1072 -28.1072 -28.1038 -28.1038 -10.9467 -10.9467 -10.9297 -10.9297 -9.8564 -9.8564 -9.8311 -9.8311 -9.7601 -9.7601 -9.7485 -9.7485 -3.6944 -3.6944 -3.6660 -3.6660 -0.2566 -0.2566 0.9340 0.9340 3.5531 3.5531 4.3542 4.3542 4.9473 4.9473 5.0615 5.0615 5.0776 5.0776 6.4642 6.4642 6.5557 6.5557 7.6932 7.6932 8.1944 8.1944 8.2495 8.2495 8.9726 8.9726 9.1300 9.1300 k = 0.0270-0.0000 0.2381 ( 5432 PWs) bands (ev): -28.1071 -28.1071 -28.1038 -28.1038 -10.9468 -10.9468 -10.9298 -10.9298 -9.8563 -9.8563 -9.8310 -9.8310 -9.7606 -9.7606 -9.7491 -9.7491 -3.6902 -3.6902 -3.6616 -3.6616 -0.2575 -0.2575 0.9255 0.9255 3.5531 3.5531 4.3568 4.3568 4.9430 4.9430 5.0322 5.0322 5.0620 5.0620 6.4641 6.4641 6.5991 6.5991 7.6856 7.6856 8.1988 8.1988 8.2466 8.2466 8.9579 8.9579 9.1464 9.1464 k = 0.0405-0.0000 0.2381 ( 5434 PWs) bands (ev): -28.1071 -28.1071 -28.1037 -28.1037 -10.9469 -10.9469 -10.9300 -10.9300 -9.8561 -9.8561 -9.8309 -9.8309 -9.7613 -9.7613 -9.7500 -9.7500 -3.6831 -3.6831 -3.6542 -3.6542 -0.2592 -0.2592 0.9112 0.9112 3.5532 3.5532 4.3608 4.3608 4.9202 4.9202 4.9905 4.9905 5.0514 5.0514 6.4671 6.4671 6.6608 6.6608 7.6728 7.6728 8.1967 8.1967 8.2515 8.2515 8.9381 8.9381 9.1702 9.1702 k = 0.0541-0.0000 0.2381 ( 5438 PWs) bands (ev): -28.1070 -28.1070 -28.1037 -28.1037 -10.9472 -10.9472 -10.9304 -10.9304 -9.8559 -9.8559 -9.8307 -9.8307 -9.7624 -9.7624 -9.7512 -9.7512 -3.6733 -3.6733 -3.6440 -3.6440 -0.2617 -0.2617 0.8911 0.8911 3.5535 3.5535 4.3658 4.3658 4.8539 4.8539 4.9754 4.9754 5.0393 5.0393 6.4718 6.4718 6.7334 6.7334 7.6552 7.6552 8.1810 8.1810 8.2719 8.2719 8.9166 8.9166 9.1994 9.1994 k = 0.0676-0.0000 0.2381 ( 5442 PWs) bands (ev): -28.1069 -28.1069 -28.1036 -28.1036 -10.9474 -10.9474 -10.9308 -10.9308 -9.8556 -9.8556 -9.8305 -9.8305 -9.7638 -9.7638 -9.7527 -9.7527 -3.6607 -3.6607 -3.6308 -3.6308 -0.2652 -0.2652 0.8653 0.8653 3.5541 3.5541 4.3704 4.3704 4.7646 4.7646 4.9740 4.9740 5.0265 5.0265 6.4760 6.4760 6.8102 6.8102 7.6327 7.6327 8.1555 8.1555 8.3047 8.3047 8.8961 8.8961 9.2327 9.2327 k = 0.0811-0.0000 0.2381 ( 5434 PWs) bands (ev): -28.1068 -28.1068 -28.1035 -28.1035 -10.9478 -10.9478 -10.9313 -10.9313 -9.8553 -9.8553 -9.8303 -9.8303 -9.7654 -9.7654 -9.7546 -9.7546 -3.6452 -3.6452 -3.6147 -3.6147 -0.2697 -0.2697 0.8336 0.8336 3.5551 3.5551 4.3714 4.3714 4.6702 4.6702 4.9753 4.9753 5.0149 5.0149 6.4776 6.4776 6.8854 6.8854 7.6055 7.6055 8.1240 8.1240 8.3477 8.3477 8.8785 8.8785 9.2688 9.2688 k = 0.0946-0.0000 0.2381 ( 5430 PWs) bands (ev): -28.1067 -28.1067 -28.1034 -28.1034 -10.9482 -10.9482 -10.9319 -10.9319 -9.8549 -9.8549 -9.8300 -9.8300 -9.7672 -9.7672 -9.7568 -9.7568 -3.6270 -3.6270 -3.5958 -3.5958 -0.2754 -0.2754 0.7961 0.7961 3.5568 3.5568 4.3602 4.3602 4.5852 4.5852 4.9752 4.9752 5.0073 5.0073 6.4743 6.4743 6.9543 6.9543 7.5736 7.5736 8.0893 8.0893 8.3995 8.3995 8.8653 8.8653 9.3062 9.3062 k = 0.1081-0.0000 0.2381 ( 5426 PWs) bands (ev): -28.1065 -28.1065 -28.1033 -28.1033 -10.9486 -10.9486 -10.9326 -10.9326 -9.8545 -9.8545 -9.8297 -9.8297 -9.7693 -9.7693 -9.7592 -9.7592 -3.6060 -3.6060 -3.5739 -3.5739 -0.2827 -0.2827 0.7528 0.7528 3.5593 3.5593 4.3187 4.3187 4.5310 4.5310 4.9712 4.9712 5.0069 5.0069 6.4640 6.4640 7.0131 7.0131 7.5367 7.5367 8.0540 8.0540 8.4589 8.4589 8.8572 8.8572 9.3430 9.3430 k = 0.1216-0.0000 0.2381 ( 5420 PWs) bands (ev): -28.1063 -28.1063 -28.1032 -28.1032 -10.9491 -10.9491 -10.9334 -10.9334 -9.8541 -9.8541 -9.8293 -9.8293 -9.7716 -9.7716 -9.7619 -9.7619 -3.5822 -3.5822 -3.5492 -3.5492 -0.2917 -0.2917 0.7037 0.7037 3.5628 3.5628 4.2413 4.2413 4.5153 4.5153 4.9653 4.9653 5.0121 5.0121 6.4452 6.4452 7.0592 7.0592 7.4946 7.4946 8.0213 8.0213 8.5233 8.5233 8.8550 8.8550 9.3767 9.3767 k = 0.1351-0.0000 0.2381 ( 5418 PWs) bands (ev): -28.1062 -28.1062 -28.1031 -28.1031 -10.9497 -10.9497 -10.9342 -10.9342 -9.8536 -9.8536 -9.8290 -9.8290 -9.7741 -9.7741 -9.7647 -9.7647 -3.5557 -3.5557 -3.5217 -3.5217 -0.3027 -0.3027 0.6490 0.6490 3.5676 3.5676 4.1463 4.1463 4.5219 4.5219 4.9605 4.9605 5.0206 5.0206 6.4166 6.4166 7.0910 7.0910 7.4471 7.4471 7.9938 7.9938 8.5889 8.5889 8.8588 8.8588 9.4048 9.4048 k = 0.1486-0.0000 0.2381 ( 5410 PWs) bands (ev): -28.1060 -28.1060 -28.1029 -28.1029 -10.9503 -10.9503 -10.9351 -10.9351 -9.8531 -9.8531 -9.8286 -9.8286 -9.7768 -9.7768 -9.7678 -9.7678 -3.5263 -3.5263 -3.4913 -3.4913 -0.3160 -0.3160 0.5888 0.5888 3.5737 3.5737 4.0472 4.0472 4.5386 4.5386 4.9583 4.9583 5.0310 5.0310 6.3775 6.3775 7.1080 7.1080 7.3941 7.3941 7.9738 7.9738 8.6500 8.6500 8.8694 8.8694 9.4249 9.4249 k = 0.1622-0.0000 0.2381 ( 5408 PWs) bands (ev): -28.1057 -28.1057 -28.1028 -28.1028 -10.9509 -10.9509 -10.9361 -10.9361 -9.8527 -9.8527 -9.8283 -9.8283 -9.7795 -9.7795 -9.7710 -9.7710 -3.4943 -3.4943 -3.4581 -3.4581 -0.3320 -0.3320 0.5233 0.5233 3.5808 3.5808 3.9501 3.9501 4.5610 4.5610 4.9593 4.9593 5.0430 5.0430 6.3278 6.3278 7.1102 7.1102 7.3362 7.3362 7.9623 7.9623 8.6997 8.6997 8.8872 8.8872 9.4355 9.4355 k = 0.1757-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1055 -28.1055 -28.1026 -28.1026 -10.9516 -10.9516 -10.9372 -10.9372 -9.8522 -9.8522 -9.8280 -9.8280 -9.7824 -9.7824 -9.7743 -9.7743 -3.4595 -3.4595 -3.4222 -3.4222 -0.3509 -0.3509 0.4527 0.4527 3.5880 3.5880 3.8591 3.8591 4.5871 4.5871 4.9638 4.9638 5.0565 5.0565 6.2680 6.2680 7.0982 7.0982 7.2741 7.2741 7.9597 7.9597 8.7325 8.7325 8.9098 8.9098 9.4379 9.4379 k = 0.1892-0.0000 0.2381 ( 5414 PWs) bands (ev): -28.1053 -28.1053 -28.1025 -28.1025 -10.9523 -10.9523 -10.9383 -10.9383 -9.8518 -9.8518 -9.8277 -9.8277 -9.7853 -9.7853 -9.7776 -9.7776 -3.4219 -3.4219 -3.3836 -3.3836 -0.3731 -0.3731 0.3774 0.3774 3.5920 3.5920 3.7793 3.7793 4.6163 4.6163 4.9717 4.9717 5.0714 5.0714 6.1989 6.1989 7.0729 7.0729 7.2089 7.2089 7.9653 7.9653 8.7469 8.7469 8.9308 8.9308 9.4361 9.4361 k = 0.2027-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1050 -28.1050 -28.1023 -28.1023 -10.9531 -10.9531 -10.9395 -10.9395 -9.8515 -9.8515 -9.8276 -9.8276 -9.7882 -9.7882 -9.7810 -9.7810 -3.3817 -3.3817 -3.3422 -3.3422 -0.3988 -0.3988 0.2977 0.2977 3.5822 3.5822 3.7222 3.7222 4.6479 4.6479 4.9828 4.9828 5.0876 5.0876 6.1218 6.1218 7.0356 7.0356 7.1414 7.1414 7.9781 7.9781 8.7437 8.7437 8.9429 8.9429 9.4361 9.4361 k = 0.2162-0.0000 0.2381 ( 5418 PWs) bands (ev): -28.1048 -28.1048 -28.1021 -28.1021 -10.9539 -10.9539 -10.9407 -10.9407 -9.8512 -9.8512 -9.8275 -9.8275 -9.7911 -9.7911 -9.7842 -9.7842 -3.3388 -3.3388 -3.2982 -3.2982 -0.4284 -0.4284 0.2140 0.2140 3.5450 3.5450 3.7027 3.7027 4.6818 4.6818 4.9966 4.9966 5.1054 5.1054 6.0381 6.0381 6.9878 6.9878 7.0722 7.0722 7.9970 7.9970 8.7229 8.7229 8.9440 8.9440 9.4408 9.4408 k = 0.2297-0.0000 0.2381 ( 5418 PWs) bands (ev): -28.1045 -28.1045 -28.1020 -28.1020 -10.9546 -10.9546 -10.9420 -10.9420 -9.8511 -9.8511 -9.8276 -9.8276 -9.7940 -9.7940 -9.7874 -9.7874 -3.2932 -3.2932 -3.2516 -3.2516 -0.4620 -0.4620 0.1265 0.1265 3.4910 3.4910 3.7107 3.7107 4.7175 4.7175 5.0126 5.0126 5.1247 5.1247 5.9493 5.9493 6.9314 6.9314 7.0015 7.0015 8.0203 8.0203 8.6852 8.6852 8.9359 8.9359 9.4474 9.4474 k = 0.2432-0.0000 0.2381 ( 5426 PWs) bands (ev): -28.1042 -28.1042 -28.1018 -28.1018 -10.9554 -10.9554 -10.9433 -10.9433 -9.8510 -9.8510 -9.8279 -9.8279 -9.7967 -9.7967 -9.7903 -9.7903 -3.2449 -3.2449 -3.2024 -3.2024 -0.4999 -0.4999 0.0358 0.0358 3.4361 3.4361 3.7311 3.7311 4.7550 4.7550 5.0299 5.0299 5.1457 5.1457 5.8573 5.8573 6.8684 6.8684 6.9291 6.9291 8.0465 8.0465 8.6330 8.6330 8.9205 8.9205 9.4514 9.4514 k = 0.2568-0.0000 0.2381 ( 5432 PWs) bands (ev): -28.1040 -28.1040 -28.1016 -28.1016 -10.9563 -10.9563 -10.9446 -10.9446 -9.8511 -9.8511 -9.8284 -9.8284 -9.7993 -9.7993 -9.7930 -9.7930 -3.1940 -3.1940 -3.1506 -3.1506 -0.5423 -0.5423 -0.0578 -0.0578 3.3862 3.3862 3.7579 3.7579 4.7939 4.7939 5.0472 5.0472 5.1685 5.1685 5.7639 5.7639 6.8005 6.8005 6.8549 6.8549 8.0736 8.0736 8.5708 8.5708 8.8985 8.8985 9.4528 9.4528 k = 0.2703-0.0000 0.2381 ( 5432 PWs) bands (ev): -28.1037 -28.1037 -28.1015 -28.1015 -10.9571 -10.9571 -10.9459 -10.9459 -9.8513 -9.8513 -9.8292 -9.8292 -9.8016 -9.8016 -9.7955 -9.7955 -3.1405 -3.1405 -3.0963 -3.0963 -0.5890 -0.5890 -0.1538 -0.1538 3.3435 3.3435 3.7894 3.7894 4.8339 4.8339 5.0627 5.0627 5.1933 5.1933 5.6716 5.6716 6.7283 6.7283 6.7800 6.7800 8.0990 8.0990 8.5034 8.5034 8.8705 8.8705 9.4553 9.4553 k = 0.2838-0.0000 0.2381 ( 5418 PWs) bands (ev): -28.1034 -28.1034 -28.1013 -28.1013 -10.9579 -10.9579 -10.9473 -10.9473 -9.8517 -9.8517 -9.8304 -9.8304 -9.8036 -9.8036 -9.7976 -9.7976 -3.0844 -3.0844 -3.0396 -3.0396 -0.6403 -0.6403 -0.2520 -0.2520 3.3088 3.3088 3.8245 3.8245 4.8748 4.8748 5.0736 5.0736 5.2203 5.2203 5.5839 5.5839 6.6520 6.6520 6.7056 6.7056 8.1186 8.1186 8.4356 8.4356 8.8385 8.8385 9.4622 9.4622 k = 0.2973-0.0000 0.2381 ( 5412 PWs) bands (ev): -28.1032 -28.1032 -28.1011 -28.1011 -10.9586 -10.9586 -10.9486 -10.9486 -9.8522 -9.8522 -9.8319 -9.8319 -9.8053 -9.8053 -9.7994 -9.7994 -3.0258 -3.0258 -2.9804 -2.9804 -0.6959 -0.6959 -0.3518 -0.3518 3.2826 3.2826 3.8628 3.8628 4.9161 4.9161 5.0752 5.0752 5.2492 5.2492 5.5060 5.5060 6.5714 6.5714 6.6330 6.6330 8.1262 8.1262 8.3725 8.3725 8.8063 8.8063 9.4745 9.4745 k = 0.3108-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1029 -28.1029 -28.1010 -28.1010 -10.9594 -10.9594 -10.9500 -10.9500 -9.8529 -9.8529 -9.8338 -9.8338 -9.8066 -9.8066 -9.8010 -9.8010 -2.9646 -2.9646 -2.9190 -2.9190 -0.7557 -0.7557 -0.4530 -0.4530 3.2649 3.2649 3.9037 3.9037 4.9573 4.9573 5.0606 5.0606 5.2801 5.2801 5.4456 5.4456 6.4875 6.4875 6.5628 6.5628 8.1139 8.1139 8.3198 8.3198 8.7795 8.7795 9.4921 9.4921 k = 0.3243-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1026 -28.1026 -28.1009 -28.1009 -10.9601 -10.9601 -10.9513 -10.9513 -9.8537 -9.8537 -9.8359 -9.8359 -9.8076 -9.8076 -9.8022 -9.8022 -2.9009 -2.9009 -2.8552 -2.8552 -0.8195 -0.8195 -0.5553 -0.5553 3.2556 3.2556 3.9467 3.9467 4.9976 4.9976 5.0243 5.0243 5.3123 5.3123 5.4095 5.4095 6.4015 6.4015 6.4947 6.4947 8.0782 8.0782 8.2775 8.2775 8.7644 8.7644 9.5142 9.5142 k = 0.3378-0.0000 0.2381 ( 5418 PWs) bands (ev): -28.1024 -28.1024 -28.1007 -28.1007 -10.9608 -10.9608 -10.9526 -10.9526 -9.8546 -9.8546 -9.8382 -9.8382 -9.8082 -9.8082 -9.8032 -9.8032 -2.8347 -2.8347 -2.7893 -2.7893 -0.8870 -0.8870 -0.6582 -0.6582 3.2546 3.2546 3.9909 3.9909 4.9661 4.9661 5.0378 5.0378 5.3453 5.3453 5.3980 5.3980 6.3149 6.3149 6.4286 6.4286 8.0258 8.0258 8.2374 8.2374 8.7653 8.7653 9.5399 9.5399 k = 0.3514-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1021 -28.1021 -28.1006 -28.1006 -10.9614 -10.9614 -10.9539 -10.9539 -9.8556 -9.8556 -9.8407 -9.8407 -9.8087 -9.8087 -9.8039 -9.8039 -2.7660 -2.7660 -2.7212 -2.7212 -0.9579 -0.9579 -0.7616 -0.7616 3.2616 3.2616 4.0351 4.0351 4.8957 4.8957 5.0749 5.0749 5.3775 5.3775 5.4055 5.4055 6.2292 6.2292 6.3643 6.3643 7.9659 7.9659 8.1914 8.1914 8.7833 8.7833 9.5685 9.5685 k = 0.3649-0.0000 0.2381 ( 5412 PWs) bands (ev): -28.1019 -28.1019 -28.1005 -28.1005 -10.9620 -10.9620 -10.9551 -10.9551 -9.8566 -9.8566 -9.8431 -9.8431 -9.8089 -9.8089 -9.8045 -9.8045 -2.6950 -2.6950 -2.6510 -2.6510 -1.0318 -1.0318 -0.8650 -0.8650 3.2763 3.2763 4.0774 4.0774 4.8210 4.8210 5.1087 5.1087 5.4071 5.4071 5.4269 5.4269 6.1458 6.1458 6.3018 6.3018 7.9046 7.9046 8.1377 8.1377 8.8160 8.8160 9.5993 9.5993 k = 0.3784-0.0000 0.2381 ( 5416 PWs) bands (ev): -28.1017 -28.1017 -28.1004 -28.1004 -10.9625 -10.9625 -10.9563 -10.9563 -9.8575 -9.8575 -9.8456 -9.8456 -9.8090 -9.8090 -9.8050 -9.8050 -2.6216 -2.6216 -2.5789 -2.5789 -1.1084 -1.1084 -0.9684 -0.9684 3.2985 3.2985 4.1146 4.1146 4.7499 4.7499 5.1377 5.1377 5.4348 5.4348 5.4563 5.4563 6.0664 6.0664 6.2410 6.2410 7.8455 7.8455 8.0782 8.0782 8.8602 8.8602 9.6318 9.6318 k = 0.3919-0.0000 0.2381 ( 5420 PWs) bands (ev): -28.1015 -28.1015 -28.1003 -28.1003 -10.9630 -10.9630 -10.9574 -10.9574 -9.8585 -9.8585 -9.8479 -9.8479 -9.8090 -9.8090 -9.8054 -9.8054 -2.5459 -2.5459 -2.5049 -2.5049 -1.1873 -1.1873 -1.0714 -1.0714 3.3276 3.3276 4.1414 4.1414 4.6901 4.6901 5.1598 5.1598 5.4637 5.4637 5.4878 5.4878 5.9929 5.9929 6.1821 6.1821 7.7905 7.7905 8.0156 8.0156 8.9128 8.9128 9.6651 9.6651 k = 0.4054-0.0000 0.2381 ( 5424 PWs) bands (ev): -28.1013 -28.1013 -28.1003 -28.1003 -10.9633 -10.9633 -10.9584 -10.9584 -9.8593 -9.8593 -9.8502 -9.8502 -9.8088 -9.8088 -9.8056 -9.8056 -2.4679 -2.4679 -2.4292 -2.4292 -1.2682 -1.2682 -1.1739 -1.1739 3.3633 3.3633 4.1504 4.1504 4.6505 4.6505 5.1726 5.1726 5.4940 5.4940 5.5191 5.5191 5.9275 5.9275 6.1250 6.1250 7.7412 7.7412 7.9523 7.9523 8.9714 8.9714 9.6975 9.6975 k = 0.4189-0.0000 0.2381 ( 5428 PWs) bands (ev): -28.1011 -28.1011 -28.1002 -28.1002 -10.9636 -10.9636 -10.9594 -10.9594 -9.8600 -9.8600 -9.8522 -9.8522 -9.8087 -9.8087 -9.8059 -9.8059 -2.3877 -2.3877 -2.3517 -2.3517 -1.3505 -1.3505 -1.2755 -1.2755 3.4052 3.4052 4.1351 4.1351 4.6383 4.6383 5.1736 5.1736 5.5249 5.5249 5.5501 5.5501 5.8722 5.8722 6.0699 6.0699 7.6988 7.6988 7.8905 7.8905 9.0345 9.0345 9.7228 9.7228 k = 0.4324-0.0000 0.2381 ( 5426 PWs) bands (ev): -28.1009 -28.1009 -28.1002 -28.1002 -10.9638 -10.9638 -10.9603 -10.9603 -9.8605 -9.8605 -9.8541 -9.8541 -9.8084 -9.8084 -9.8061 -9.8061 -2.3053 -2.3053 -2.2728 -2.2728 -1.4341 -1.4341 -1.3762 -1.3762 3.4529 3.4529 4.0960 4.0960 4.6535 4.6535 5.1606 5.1606 5.5554 5.5554 5.5810 5.5810 5.8283 5.8283 6.0168 6.0168 7.6642 7.6642 7.8319 7.8319 9.1007 9.1007 9.7200 9.7200 k = 0.4459-0.0000 0.2381 ( 5430 PWs) bands (ev): -28.1008 -28.1008 -28.1002 -28.1002 -10.9639 -10.9639 -10.9611 -10.9611 -9.8609 -9.8609 -9.8558 -9.8558 -9.8082 -9.8082 -9.8063 -9.8063 -2.2209 -2.2209 -2.1925 -2.1925 -1.5185 -1.5185 -1.4758 -1.4758 3.5058 3.5058 4.0397 4.0397 4.6896 4.6896 5.1331 5.1331 5.5847 5.5847 5.6121 5.6121 5.7957 5.7957 5.9659 5.9659 7.6384 7.6384 7.7779 7.7779 9.1691 9.1691 9.6845 9.6845 k = 0.4595-0.0000 0.2381 ( 5438 PWs) bands (ev): -28.1006 -28.1006 -28.1002 -28.1002 -10.9639 -10.9639 -10.9618 -10.9618 -9.8610 -9.8610 -9.8572 -9.8572 -9.8079 -9.8079 -9.8065 -9.8065 -2.1346 -2.1346 -2.1109 -2.1109 -1.6034 -1.6034 -1.5740 -1.5740 3.5636 3.5636 3.9737 3.9737 4.7391 4.7391 5.0924 5.0924 5.6123 5.6123 5.6424 5.6424 5.7734 5.7734 5.9173 5.9173 7.6221 7.6221 7.7300 7.7300 9.2387 9.2387 9.6342 9.6342 k = 0.4730-0.0000 0.2381 ( 5442 PWs) bands (ev): -28.1005 -28.1005 -28.1002 -28.1002 -10.9638 -10.9638 -10.9624 -10.9624 -9.8610 -9.8610 -9.8585 -9.8585 -9.8077 -9.8077 -9.8067 -9.8067 -2.0466 -2.0466 -2.0285 -2.0285 -1.6884 -1.6884 -1.6705 -1.6705 3.6257 3.6257 3.9032 3.9032 4.7966 4.7966 5.0415 5.0415 5.6376 5.6376 5.6685 5.6685 5.7620 5.7620 5.8716 5.8716 7.6157 7.6157 7.6892 7.6892 9.3088 9.3088 9.5763 9.5763 k = 0.4865-0.0000 0.2381 ( 5446 PWs) bands (ev): -28.1004 -28.1004 -28.1003 -28.1003 -10.9636 -10.9636 -10.9629 -10.9629 -9.8607 -9.8607 -9.8595 -9.8595 -9.8074 -9.8074 -9.8069 -9.8069 -1.9576 -1.9576 -1.9459 -1.9459 -1.7729 -1.7729 -1.7642 -1.7642 3.6916 3.6916 3.8314 3.8314 4.8584 4.8584 4.9834 4.9834 5.6594 5.6594 5.6812 5.6812 5.7675 5.7675 5.8294 5.8294 7.6194 7.6194 7.6567 7.6567 9.3786 9.3786 9.5134 9.5134 k = 0.5000-0.0000 0.2381 ( 5452 PWs) bands (ev): -28.1003 -28.1003 -28.1003 -28.1003 -10.9633 -10.9633 -10.9633 -10.9633 -9.8602 -9.8602 -9.8602 -9.8602 -9.8071 -9.8071 -9.8071 -9.8071 -1.8828 -1.8828 -1.8828 -1.8828 -1.8386 -1.8386 -1.8386 -1.8386 3.7605 3.7605 3.7605 3.7605 4.9215 4.9215 4.9215 4.9215 5.6757 5.6757 5.6757 5.6757 5.7928 5.7928 5.7928 5.7928 7.6332 7.6332 7.6332 7.6332 9.4471 9.4471 9.4471 9.4471 Writing output data file SrSb2.save init_run : 0.40s CPU 0.55s WALL ( 1 calls) electrons : 127.22s CPU 129.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 127.21s CPU 129.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 258 calls) cegterg : 114.86s CPU 116.36s WALL ( 344 calls) Called by sum_band: Called by *egterg: h_psi : 64.08s CPU 65.19s WALL ( 5990 calls) s_psi : 6.69s CPU 6.75s WALL ( 5990 calls) g_psi : 0.12s CPU 0.25s WALL ( 5388 calls) cdiaghg : 36.72s CPU 37.15s WALL ( 5646 calls) cegterg:over : 5.44s CPU 5.51s WALL ( 5388 calls) cegterg:upda : 5.22s CPU 5.18s WALL ( 5388 calls) cegterg:last : 2.99s CPU 2.94s WALL ( 1076 calls) cdiaghg:chol : 2.07s CPU 2.12s WALL ( 5646 calls) cdiaghg:inve : 1.40s CPU 1.33s WALL ( 5646 calls) cdiaghg:para : 2.18s CPU 2.22s WALL ( 11292 calls) Called by h_psi: h_psi:vloc : 49.52s CPU 50.55s WALL ( 5990 calls) h_psi:vnl : 14.31s CPU 14.41s WALL ( 5990 calls) add_vuspsi : 8.17s CPU 7.90s WALL ( 5990 calls) General routines calbec : 6.13s CPU 6.49s WALL ( 5990 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.91s CPU 46.93s WALL ( 612920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.20s WALL ( 516 calls) Parallel routines fft_scatter : 18.74s CPU 19.15s WALL ( 612943 calls) PWSCF : 2m21.13s CPU 2m34.73s WALL This run was terminated on: 21:15:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=