Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:29: 2 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: ./CaSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 42 28 8 2476 1355 212 Max 43 29 9 2486 1373 218 Sum 1543 1041 303 89383 49185 7731 bravais-lattice index = 14 lattice parameter (alat) = 7.8934 a.u. unit-cell volume = 1166.4040 (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 = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.893385 celldm(2)= 1.136222 celldm(3)= 2.152567 celldm(4)= 0.244284 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 1.136222 0.000000 ) a(3) = ( 0.000000 0.525838 2.087352 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.880110 -0.221714 ) b(3) = ( 0.000000 0.000000 0.479076 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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) Ca 10.00 40.07800 Ca( 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= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0000000 0.0126073), wk = 0.0038023 k( 3) = ( 0.0000000 0.0000000 0.0252145), wk = 0.0038023 k( 4) = ( 0.0000000 0.0000000 0.0378218), wk = 0.0038023 k( 5) = ( 0.0000000 0.0000000 0.0504290), wk = 0.0038023 k( 6) = ( 0.0000000 0.0000000 0.0630363), wk = 0.0038023 k( 7) = ( 0.0000000 0.0000000 0.0756435), wk = 0.0038023 k( 8) = ( 0.0000000 0.0000000 0.0882508), wk = 0.0038023 k( 9) = ( 0.0000000 0.0000000 0.1008581), wk = 0.0038023 k( 10) = ( 0.0000000 0.0000000 0.1134653), wk = 0.0038023 k( 11) = ( 0.0000000 0.0000000 0.1260726), wk = 0.0038023 k( 12) = ( 0.0000000 0.0000000 0.1386798), wk = 0.0038023 k( 13) = ( 0.0000000 0.0000000 0.1512871), wk = 0.0038023 k( 14) = ( 0.0000000 0.0000000 0.1638943), wk = 0.0038023 k( 15) = ( 0.0000000 0.0000000 0.1765016), wk = 0.0038023 k( 16) = ( 0.0000000 0.0000000 0.1891089), wk = 0.0038023 k( 17) = ( 0.0000000 0.0000000 0.2017161), wk = 0.0038023 k( 18) = ( 0.0000000 0.0000000 0.2143234), wk = 0.0038023 k( 19) = ( 0.0000000 0.0000000 0.2269306), wk = 0.0038023 k( 20) = ( 0.0000000 0.0000000 0.2395379), wk = 0.0038023 k( 21) = ( 0.0000000 0.0000000 0.2395379), wk = 0.0038023 k( 22) = ( 0.0000000 0.0131496 0.2395379), wk = 0.0038023 k( 23) = ( 0.0000000 0.0262992 0.2395379), wk = 0.0038023 k( 24) = ( 0.0000000 0.0394488 0.2395379), wk = 0.0038023 k( 25) = ( 0.0000000 0.0525984 0.2395379), wk = 0.0038023 k( 26) = ( 0.0000000 0.0657481 0.2395379), wk = 0.0038023 k( 27) = ( 0.0000000 0.0788977 0.2395379), wk = 0.0038023 k( 28) = ( 0.0000000 0.0920473 0.2395379), wk = 0.0038023 k( 29) = ( 0.0000000 0.1051969 0.2395379), wk = 0.0038023 k( 30) = ( 0.0000000 0.1183465 0.2395379), wk = 0.0038023 k( 31) = ( 0.0000000 0.1314961 0.2395379), wk = 0.0038023 k( 32) = ( 0.0000000 0.1446457 0.2395379), wk = 0.0038023 k( 33) = ( 0.0000000 0.1577953 0.2395379), wk = 0.0038023 k( 34) = ( 0.0000000 0.1709450 0.2395379), wk = 0.0038023 k( 35) = ( 0.0000000 0.1840946 0.2395379), wk = 0.0038023 k( 36) = ( 0.0000000 0.1972442 0.2395379), wk = 0.0038023 k( 37) = ( 0.0000000 0.2103938 0.2395379), wk = 0.0038023 k( 38) = ( 0.0000000 0.2235434 0.2395379), wk = 0.0038023 k( 39) = ( 0.0000000 0.2366930 0.2395379), wk = 0.0038023 k( 40) = ( 0.0000000 0.2498426 0.2395379), wk = 0.0038023 k( 41) = ( 0.0000000 0.2629922 0.2395379), wk = 0.0038023 k( 42) = ( 0.0000000 0.2761418 0.2395379), wk = 0.0038023 k( 43) = ( 0.0000000 0.2892915 0.2395379), wk = 0.0038023 k( 44) = ( 0.0000000 0.3024411 0.2395379), wk = 0.0038023 k( 45) = ( 0.0000000 0.3155907 0.2395379), wk = 0.0038023 k( 46) = ( 0.0000000 0.3287403 0.2395379), wk = 0.0038023 k( 47) = ( 0.0000000 0.3418899 0.2395379), wk = 0.0038023 k( 48) = ( 0.0000000 0.3550395 0.2395379), wk = 0.0038023 k( 49) = ( 0.0000000 0.3681891 0.2395379), wk = 0.0038023 k( 50) = ( 0.0000000 0.3813387 0.2395379), wk = 0.0038023 k( 51) = ( 0.0000000 0.3944884 0.2395379), wk = 0.0038023 k( 52) = ( 0.0000000 0.4076380 0.2395379), wk = 0.0038023 k( 53) = ( 0.0000000 0.4076380 0.2395379), wk = 0.0038023 k( 54) = ( 0.0000000 0.4112398 0.2272205), wk = 0.0038023 k( 55) = ( 0.0000000 0.4148417 0.2149030), wk = 0.0038023 k( 56) = ( 0.0000000 0.4184436 0.2025856), wk = 0.0038023 k( 57) = ( 0.0000000 0.4220454 0.1902682), wk = 0.0038023 k( 58) = ( 0.0000000 0.4256473 0.1779507), wk = 0.0038023 k( 59) = ( 0.0000000 0.4292492 0.1656333), wk = 0.0038023 k( 60) = ( 0.0000000 0.4328510 0.1533159), wk = 0.0038023 k( 61) = ( 0.0000000 0.4364529 0.1409985), wk = 0.0038023 k( 62) = ( 0.0000000 0.4400548 0.1286810), wk = 0.0038023 k( 63) = ( 0.0000000 0.4400548 0.1286810), wk = 0.0038023 k( 64) = ( 0.0131579 0.4400548 0.1286810), wk = 0.0038023 k( 65) = ( 0.0263158 0.4400548 0.1286810), wk = 0.0038023 k( 66) = ( 0.0394737 0.4400548 0.1286810), wk = 0.0038023 k( 67) = ( 0.0526316 0.4400548 0.1286810), wk = 0.0038023 k( 68) = ( 0.0657895 0.4400548 0.1286810), wk = 0.0038023 k( 69) = ( 0.0789474 0.4400548 0.1286810), wk = 0.0038023 k( 70) = ( 0.0921053 0.4400548 0.1286810), wk = 0.0038023 k( 71) = ( 0.1052632 0.4400548 0.1286810), wk = 0.0038023 k( 72) = ( 0.1184210 0.4400548 0.1286810), wk = 0.0038023 k( 73) = ( 0.1315790 0.4400548 0.1286810), wk = 0.0038023 k( 74) = ( 0.1447368 0.4400548 0.1286810), wk = 0.0038023 k( 75) = ( 0.1578947 0.4400548 0.1286810), wk = 0.0038023 k( 76) = ( 0.1710526 0.4400548 0.1286810), wk = 0.0038023 k( 77) = ( 0.1842105 0.4400548 0.1286810), wk = 0.0038023 k( 78) = ( 0.1973684 0.4400548 0.1286810), wk = 0.0038023 k( 79) = ( 0.2105263 0.4400548 0.1286810), wk = 0.0038023 k( 80) = ( 0.2236842 0.4400548 0.1286810), wk = 0.0038023 k( 81) = ( 0.2368421 0.4400548 0.1286810), wk = 0.0038023 k( 82) = ( 0.2500000 0.4400548 0.1286810), wk = 0.0038023 k( 83) = ( 0.2631579 0.4400548 0.1286810), wk = 0.0038023 k( 84) = ( 0.2763158 0.4400548 0.1286810), wk = 0.0038023 k( 85) = ( 0.2894737 0.4400548 0.1286810), wk = 0.0038023 k( 86) = ( 0.3026316 0.4400548 0.1286810), wk = 0.0038023 k( 87) = ( 0.3157895 0.4400548 0.1286810), wk = 0.0038023 k( 88) = ( 0.3289474 0.4400548 0.1286810), wk = 0.0038023 k( 89) = ( 0.3421053 0.4400548 0.1286810), wk = 0.0038023 k( 90) = ( 0.3552632 0.4400548 0.1286810), wk = 0.0038023 k( 91) = ( 0.3684211 0.4400548 0.1286810), wk = 0.0038023 k( 92) = ( 0.3815789 0.4400548 0.1286810), wk = 0.0038023 k( 93) = ( 0.3947368 0.4400548 0.1286810), wk = 0.0038023 k( 94) = ( 0.4078947 0.4400548 0.1286810), wk = 0.0038023 k( 95) = ( 0.4210526 0.4400548 0.1286810), wk = 0.0038023 k( 96) = ( 0.4342105 0.4400548 0.1286810), wk = 0.0038023 k( 97) = ( 0.4473684 0.4400548 0.1286810), wk = 0.0038023 k( 98) = ( 0.4605263 0.4400548 0.1286810), wk = 0.0038023 k( 99) = ( 0.4736842 0.4400548 0.1286810), wk = 0.0038023 k( 100) = ( 0.4868421 0.4400548 0.1286810), wk = 0.0038023 k( 101) = ( 0.5000000 0.4400548 0.1286810), wk = 0.0038023 k( 102) = ( 0.5000000 0.4400548 0.1286810), wk = 0.0038023 k( 103) = ( 0.5000000 0.4436566 0.1163636), wk = 0.0038023 k( 104) = ( 0.5000000 0.4472585 0.1040462), wk = 0.0038023 k( 105) = ( 0.5000000 0.4508604 0.0917287), wk = 0.0038023 k( 106) = ( 0.5000000 0.4544623 0.0794113), wk = 0.0038023 k( 107) = ( 0.5000000 0.4580641 0.0670939), wk = 0.0038023 k( 108) = ( 0.5000000 0.4616660 0.0547764), wk = 0.0038023 k( 109) = ( 0.5000000 0.4652679 0.0424590), wk = 0.0038023 k( 110) = ( 0.5000000 0.4688697 0.0301416), wk = 0.0038023 k( 111) = ( 0.5000000 0.4724716 0.0178242), wk = 0.0038023 k( 112) = ( 0.5000000 0.4724716 0.0178242), wk = 0.0038023 k( 113) = ( 0.5000000 0.4692299 0.0049561), wk = 0.0038023 k( 114) = ( 0.5000000 0.4659882 -0.0079120), wk = 0.0038023 k( 115) = ( 0.5000000 0.4627466 -0.0207801), wk = 0.0038023 k( 116) = ( 0.5000000 0.4595049 -0.0336482), wk = 0.0038023 k( 117) = ( 0.5000000 0.4562632 -0.0465163), wk = 0.0038023 k( 118) = ( 0.5000000 0.4530215 -0.0593845), wk = 0.0038023 k( 119) = ( 0.5000000 0.4497798 -0.0722526), wk = 0.0038023 k( 120) = ( 0.5000000 0.4465381 -0.0851207), wk = 0.0038023 k( 121) = ( 0.5000000 0.4432965 -0.0979888), wk = 0.0038023 k( 122) = ( 0.5000000 0.4400548 -0.1108569), wk = 0.0038023 k( 123) = ( 0.5000000 0.4400548 -0.1108569), wk = 0.0038023 k( 124) = ( 0.4868421 0.4400548 -0.1108569), wk = 0.0038023 k( 125) = ( 0.4736842 0.4400548 -0.1108569), wk = 0.0038023 k( 126) = ( 0.4605263 0.4400548 -0.1108569), wk = 0.0038023 k( 127) = ( 0.4473684 0.4400548 -0.1108569), wk = 0.0038023 k( 128) = ( 0.4342105 0.4400548 -0.1108569), wk = 0.0038023 k( 129) = ( 0.4210526 0.4400548 -0.1108569), wk = 0.0038023 k( 130) = ( 0.4078947 0.4400548 -0.1108569), wk = 0.0038023 k( 131) = ( 0.3947368 0.4400548 -0.1108569), wk = 0.0038023 k( 132) = ( 0.3815789 0.4400548 -0.1108569), wk = 0.0038023 k( 133) = ( 0.3684211 0.4400548 -0.1108569), wk = 0.0038023 k( 134) = ( 0.3552632 0.4400548 -0.1108569), wk = 0.0038023 k( 135) = ( 0.3421053 0.4400548 -0.1108569), wk = 0.0038023 k( 136) = ( 0.3289474 0.4400548 -0.1108569), wk = 0.0038023 k( 137) = ( 0.3157895 0.4400548 -0.1108569), wk = 0.0038023 k( 138) = ( 0.3026316 0.4400548 -0.1108569), wk = 0.0038023 k( 139) = ( 0.2894737 0.4400548 -0.1108569), wk = 0.0038023 k( 140) = ( 0.2763158 0.4400548 -0.1108569), wk = 0.0038023 k( 141) = ( 0.2631579 0.4400548 -0.1108569), wk = 0.0038023 k( 142) = ( 0.2500000 0.4400548 -0.1108569), wk = 0.0038023 k( 143) = ( 0.2368421 0.4400548 -0.1108569), wk = 0.0038023 k( 144) = ( 0.2236842 0.4400548 -0.1108569), wk = 0.0038023 k( 145) = ( 0.2105263 0.4400548 -0.1108569), wk = 0.0038023 k( 146) = ( 0.1973684 0.4400548 -0.1108569), wk = 0.0038023 k( 147) = ( 0.1842105 0.4400548 -0.1108569), wk = 0.0038023 k( 148) = ( 0.1710526 0.4400548 -0.1108569), wk = 0.0038023 k( 149) = ( 0.1578947 0.4400548 -0.1108569), wk = 0.0038023 k( 150) = ( 0.1447368 0.4400548 -0.1108569), wk = 0.0038023 k( 151) = ( 0.1315790 0.4400548 -0.1108569), wk = 0.0038023 k( 152) = ( 0.1184210 0.4400548 -0.1108569), wk = 0.0038023 k( 153) = ( 0.1052632 0.4400548 -0.1108569), wk = 0.0038023 k( 154) = ( 0.0921053 0.4400548 -0.1108569), wk = 0.0038023 k( 155) = ( 0.0789474 0.4400548 -0.1108569), wk = 0.0038023 k( 156) = ( 0.0657895 0.4400548 -0.1108569), wk = 0.0038023 k( 157) = ( 0.0526316 0.4400548 -0.1108569), wk = 0.0038023 k( 158) = ( 0.0394737 0.4400548 -0.1108569), wk = 0.0038023 k( 159) = ( 0.0263158 0.4400548 -0.1108569), wk = 0.0038023 k( 160) = ( 0.0131579 0.4400548 -0.1108569), wk = 0.0038023 k( 161) = ( 0.0000000 0.4400548 -0.1108569), wk = 0.0038023 k( 162) = ( 0.0000000 0.4400548 -0.1108569), wk = 0.0038023 k( 163) = ( 0.0000000 0.4432965 -0.0979888), wk = 0.0038023 k( 164) = ( 0.0000000 0.4465381 -0.0851207), wk = 0.0038023 k( 165) = ( 0.0000000 0.4497798 -0.0722526), wk = 0.0038023 k( 166) = ( 0.0000000 0.4530215 -0.0593845), wk = 0.0038023 k( 167) = ( 0.0000000 0.4562632 -0.0465163), wk = 0.0038023 k( 168) = ( 0.0000000 0.4595049 -0.0336482), wk = 0.0038023 k( 169) = ( 0.0000000 0.4627466 -0.0207801), wk = 0.0038023 k( 170) = ( 0.0000000 0.4659882 -0.0079120), wk = 0.0038023 k( 171) = ( 0.0000000 0.4692299 0.0049561), wk = 0.0038023 k( 172) = ( 0.0000000 0.4724716 0.0178242), wk = 0.0038023 k( 173) = ( 0.5000000 0.4076380 0.2395379), wk = 0.0038023 k( 174) = ( 0.5000000 0.3944884 0.2395379), wk = 0.0038023 k( 175) = ( 0.5000000 0.3813387 0.2395379), wk = 0.0038023 k( 176) = ( 0.5000000 0.3681891 0.2395379), wk = 0.0038023 k( 177) = ( 0.5000000 0.3550395 0.2395379), wk = 0.0038023 k( 178) = ( 0.5000000 0.3418899 0.2395379), wk = 0.0038023 k( 179) = ( 0.5000000 0.3287403 0.2395379), wk = 0.0038023 k( 180) = ( 0.5000000 0.3155907 0.2395379), wk = 0.0038023 k( 181) = ( 0.5000000 0.3024411 0.2395379), wk = 0.0038023 k( 182) = ( 0.5000000 0.2892915 0.2395379), wk = 0.0038023 k( 183) = ( 0.5000000 0.2761418 0.2395379), wk = 0.0038023 k( 184) = ( 0.5000000 0.2629922 0.2395379), wk = 0.0038023 k( 185) = ( 0.5000000 0.2498426 0.2395379), wk = 0.0038023 k( 186) = ( 0.5000000 0.2366930 0.2395379), wk = 0.0038023 k( 187) = ( 0.5000000 0.2235434 0.2395379), wk = 0.0038023 k( 188) = ( 0.5000000 0.2103938 0.2395379), wk = 0.0038023 k( 189) = ( 0.5000000 0.1972442 0.2395379), wk = 0.0038023 k( 190) = ( 0.5000000 0.1840946 0.2395379), wk = 0.0038023 k( 191) = ( 0.5000000 0.1709450 0.2395379), wk = 0.0038023 k( 192) = ( 0.5000000 0.1577953 0.2395379), wk = 0.0038023 k( 193) = ( 0.5000000 0.1446457 0.2395379), wk = 0.0038023 k( 194) = ( 0.5000000 0.1314961 0.2395379), wk = 0.0038023 k( 195) = ( 0.5000000 0.1183465 0.2395379), wk = 0.0038023 k( 196) = ( 0.5000000 0.1051969 0.2395379), wk = 0.0038023 k( 197) = ( 0.5000000 0.0920473 0.2395379), wk = 0.0038023 k( 198) = ( 0.5000000 0.0788977 0.2395379), wk = 0.0038023 k( 199) = ( 0.5000000 0.0657481 0.2395379), wk = 0.0038023 k( 200) = ( 0.5000000 0.0525984 0.2395379), wk = 0.0038023 k( 201) = ( 0.5000000 0.0394488 0.2395379), wk = 0.0038023 k( 202) = ( 0.5000000 0.0262992 0.2395379), wk = 0.0038023 k( 203) = ( 0.5000000 0.0131496 0.2395379), wk = 0.0038023 k( 204) = ( 0.5000000 -0.0000000 0.2395379), wk = 0.0038023 k( 205) = ( 0.5000000 -0.0000000 0.2395379), wk = 0.0038023 k( 206) = ( 0.5000000 -0.0000000 0.2269306), wk = 0.0038023 k( 207) = ( 0.5000000 -0.0000000 0.2143234), wk = 0.0038023 k( 208) = ( 0.5000000 -0.0000000 0.2017161), wk = 0.0038023 k( 209) = ( 0.5000000 -0.0000000 0.1891089), wk = 0.0038023 k( 210) = ( 0.5000000 -0.0000000 0.1765016), wk = 0.0038023 k( 211) = ( 0.5000000 -0.0000000 0.1638943), wk = 0.0038023 k( 212) = ( 0.5000000 -0.0000000 0.1512871), wk = 0.0038023 k( 213) = ( 0.5000000 -0.0000000 0.1386798), wk = 0.0038023 k( 214) = ( 0.5000000 -0.0000000 0.1260726), wk = 0.0038023 k( 215) = ( 0.5000000 -0.0000000 0.1134653), wk = 0.0038023 k( 216) = ( 0.5000000 -0.0000000 0.1008581), wk = 0.0038023 k( 217) = ( 0.5000000 -0.0000000 0.0882508), wk = 0.0038023 k( 218) = ( 0.5000000 -0.0000000 0.0756435), wk = 0.0038023 k( 219) = ( 0.5000000 -0.0000000 0.0630363), wk = 0.0038023 k( 220) = ( 0.5000000 -0.0000000 0.0504290), wk = 0.0038023 k( 221) = ( 0.5000000 -0.0000000 0.0378218), wk = 0.0038023 k( 222) = ( 0.5000000 -0.0000000 0.0252145), wk = 0.0038023 k( 223) = ( 0.5000000 -0.0000000 0.0126073), wk = 0.0038023 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 225) = ( 0.0000000 0.0000000 0.2395379), wk = 0.0038023 k( 226) = ( 0.0131579 -0.0000000 0.2395379), wk = 0.0038023 k( 227) = ( 0.0263158 -0.0000000 0.2395379), wk = 0.0038023 k( 228) = ( 0.0394737 -0.0000000 0.2395379), wk = 0.0038023 k( 229) = ( 0.0526316 -0.0000000 0.2395379), wk = 0.0038023 k( 230) = ( 0.0657895 -0.0000000 0.2395379), wk = 0.0038023 k( 231) = ( 0.0789474 -0.0000000 0.2395379), wk = 0.0038023 k( 232) = ( 0.0921053 -0.0000000 0.2395379), wk = 0.0038023 k( 233) = ( 0.1052632 -0.0000000 0.2395379), wk = 0.0038023 k( 234) = ( 0.1184210 -0.0000000 0.2395379), wk = 0.0038023 k( 235) = ( 0.1315790 -0.0000000 0.2395379), wk = 0.0038023 k( 236) = ( 0.1447368 -0.0000000 0.2395379), wk = 0.0038023 k( 237) = ( 0.1578947 -0.0000000 0.2395379), wk = 0.0038023 k( 238) = ( 0.1710526 -0.0000000 0.2395379), wk = 0.0038023 k( 239) = ( 0.1842105 -0.0000000 0.2395379), wk = 0.0038023 k( 240) = ( 0.1973684 -0.0000000 0.2395379), wk = 0.0038023 k( 241) = ( 0.2105263 -0.0000000 0.2395379), wk = 0.0038023 k( 242) = ( 0.2236842 -0.0000000 0.2395379), wk = 0.0038023 k( 243) = ( 0.2368421 -0.0000000 0.2395379), wk = 0.0038023 k( 244) = ( 0.2500000 -0.0000000 0.2395379), wk = 0.0038023 k( 245) = ( 0.2631579 -0.0000000 0.2395379), wk = 0.0038023 k( 246) = ( 0.2763158 -0.0000000 0.2395379), wk = 0.0038023 k( 247) = ( 0.2894737 -0.0000000 0.2395379), wk = 0.0038023 k( 248) = ( 0.3026316 -0.0000000 0.2395379), wk = 0.0038023 k( 249) = ( 0.3157895 -0.0000000 0.2395379), wk = 0.0038023 k( 250) = ( 0.3289474 -0.0000000 0.2395379), wk = 0.0038023 k( 251) = ( 0.3421053 -0.0000000 0.2395379), wk = 0.0038023 k( 252) = ( 0.3552632 -0.0000000 0.2395379), wk = 0.0038023 k( 253) = ( 0.3684211 -0.0000000 0.2395379), wk = 0.0038023 k( 254) = ( 0.3815789 -0.0000000 0.2395379), wk = 0.0038023 k( 255) = ( 0.3947368 -0.0000000 0.2395379), wk = 0.0038023 k( 256) = ( 0.4078947 -0.0000000 0.2395379), wk = 0.0038023 k( 257) = ( 0.4210526 -0.0000000 0.2395379), wk = 0.0038023 k( 258) = ( 0.4342105 -0.0000000 0.2395379), wk = 0.0038023 k( 259) = ( 0.4473684 -0.0000000 0.2395379), wk = 0.0038023 k( 260) = ( 0.4605263 -0.0000000 0.2395379), wk = 0.0038023 k( 261) = ( 0.4736842 -0.0000000 0.2395379), wk = 0.0038023 k( 262) = ( 0.4868421 -0.0000000 0.2395379), wk = 0.0038023 k( 263) = ( 0.5000000 -0.0000000 0.2395379), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0038023 k( 3) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0038023 k( 4) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0038023 k( 5) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0038023 k( 6) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0038023 k( 7) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0038023 k( 8) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0038023 k( 9) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0038023 k( 10) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0038023 k( 11) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0038023 k( 12) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0038023 k( 13) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0038023 k( 14) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0038023 k( 15) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0038023 k( 16) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0038023 k( 17) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0038023 k( 18) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0038023 k( 19) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0038023 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 22) = ( 0.0000000 0.0149409 0.5069146), wk = 0.0038023 k( 23) = ( 0.0000000 0.0298818 0.5138291), wk = 0.0038023 k( 24) = ( 0.0000000 0.0448226 0.5207437), wk = 0.0038023 k( 25) = ( 0.0000000 0.0597635 0.5276582), wk = 0.0038023 k( 26) = ( 0.0000000 0.0747044 0.5345728), wk = 0.0038023 k( 27) = ( 0.0000000 0.0896453 0.5414874), wk = 0.0038023 k( 28) = ( 0.0000000 0.1045862 0.5484019), wk = 0.0038023 k( 29) = ( 0.0000000 0.1195270 0.5553165), wk = 0.0038023 k( 30) = ( 0.0000000 0.1344679 0.5622310), wk = 0.0038023 k( 31) = ( 0.0000000 0.1494088 0.5691456), wk = 0.0038023 k( 32) = ( 0.0000000 0.1643497 0.5760602), wk = 0.0038023 k( 33) = ( 0.0000000 0.1792906 0.5829747), wk = 0.0038023 k( 34) = ( 0.0000000 0.1942314 0.5898893), wk = 0.0038023 k( 35) = ( 0.0000000 0.2091723 0.5968038), wk = 0.0038023 k( 36) = ( 0.0000000 0.2241132 0.6037184), wk = 0.0038023 k( 37) = ( 0.0000000 0.2390541 0.6106330), wk = 0.0038023 k( 38) = ( 0.0000000 0.2539950 0.6175475), wk = 0.0038023 k( 39) = ( 0.0000000 0.2689358 0.6244621), wk = 0.0038023 k( 40) = ( 0.0000000 0.2838767 0.6313766), wk = 0.0038023 k( 41) = ( 0.0000000 0.2988176 0.6382912), wk = 0.0038023 k( 42) = ( 0.0000000 0.3137585 0.6452058), wk = 0.0038023 k( 43) = ( 0.0000000 0.3286994 0.6521203), wk = 0.0038023 k( 44) = ( 0.0000000 0.3436402 0.6590349), wk = 0.0038023 k( 45) = ( 0.0000000 0.3585811 0.6659495), wk = 0.0038023 k( 46) = ( 0.0000000 0.3735220 0.6728640), wk = 0.0038023 k( 47) = ( 0.0000000 0.3884629 0.6797786), wk = 0.0038023 k( 48) = ( 0.0000000 0.4034038 0.6866931), wk = 0.0038023 k( 49) = ( 0.0000000 0.4183446 0.6936077), wk = 0.0038023 k( 50) = ( 0.0000000 0.4332855 0.7005223), wk = 0.0038023 k( 51) = ( 0.0000000 0.4482264 0.7074368), wk = 0.0038023 k( 52) = ( 0.0000000 0.4631673 0.7143514), wk = 0.0038023 k( 53) = ( 0.0000000 0.4631673 0.7143514), wk = 0.0038023 k( 54) = ( 0.0000000 0.4672598 0.6905345), wk = 0.0038023 k( 55) = ( 0.0000000 0.4713523 0.6667177), wk = 0.0038023 k( 56) = ( 0.0000000 0.4754449 0.6429009), wk = 0.0038023 k( 57) = ( 0.0000000 0.4795374 0.6190841), wk = 0.0038023 k( 58) = ( 0.0000000 0.4836299 0.5952673), wk = 0.0038023 k( 59) = ( 0.0000000 0.4877224 0.5714505), wk = 0.0038023 k( 60) = ( 0.0000000 0.4918149 0.5476336), wk = 0.0038023 k( 61) = ( 0.0000000 0.4959075 0.5238168), wk = 0.0038023 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038023 k( 63) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038023 k( 64) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0038023 k( 65) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0038023 k( 66) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0038023 k( 67) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0038023 k( 68) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0038023 k( 69) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0038023 k( 70) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0038023 k( 71) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0038023 k( 72) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0038023 k( 73) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0038023 k( 74) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0038023 k( 75) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0038023 k( 76) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0038023 k( 77) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0038023 k( 78) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0038023 k( 79) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0038023 k( 80) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0038023 k( 81) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0038023 k( 82) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038023 k( 83) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0038023 k( 84) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0038023 k( 85) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0038023 k( 86) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0038023 k( 87) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0038023 k( 88) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0038023 k( 89) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0038023 k( 90) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0038023 k( 91) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0038023 k( 92) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0038023 k( 93) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0038023 k( 94) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0038023 k( 95) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0038023 k( 96) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0038023 k( 97) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0038023 k( 98) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0038023 k( 99) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0038023 k( 100) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0038023 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 103) = ( 0.5000000 0.5040925 0.4761832), wk = 0.0038023 k( 104) = ( 0.5000000 0.5081851 0.4523664), wk = 0.0038023 k( 105) = ( 0.5000000 0.5122776 0.4285495), wk = 0.0038023 k( 106) = ( 0.5000000 0.5163701 0.4047327), wk = 0.0038023 k( 107) = ( 0.5000000 0.5204626 0.3809159), wk = 0.0038023 k( 108) = ( 0.5000000 0.5245551 0.3570991), wk = 0.0038023 k( 109) = ( 0.5000000 0.5286477 0.3332823), wk = 0.0038023 k( 110) = ( 0.5000000 0.5327402 0.3094654), wk = 0.0038023 k( 111) = ( 0.5000000 0.5368327 0.2856486), wk = 0.0038023 k( 112) = ( 0.5000000 0.5368327 0.2856486), wk = 0.0038023 k( 113) = ( 0.5000000 0.5331494 0.2570838), wk = 0.0038023 k( 114) = ( 0.5000000 0.5294662 0.2285189), wk = 0.0038023 k( 115) = ( 0.5000000 0.5257829 0.1999540), wk = 0.0038023 k( 116) = ( 0.5000000 0.5220996 0.1713892), wk = 0.0038023 k( 117) = ( 0.5000000 0.5184163 0.1428243), wk = 0.0038023 k( 118) = ( 0.5000000 0.5147331 0.1142594), wk = 0.0038023 k( 119) = ( 0.5000000 0.5110498 0.0856946), wk = 0.0038023 k( 120) = ( 0.5000000 0.5073665 0.0571297), wk = 0.0038023 k( 121) = ( 0.5000000 0.5036833 0.0285649), wk = 0.0038023 k( 122) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 123) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 124) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0038023 k( 125) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0038023 k( 126) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0038023 k( 127) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0038023 k( 128) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0038023 k( 129) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0038023 k( 130) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0038023 k( 131) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0038023 k( 132) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0038023 k( 133) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0038023 k( 134) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0038023 k( 135) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0038023 k( 136) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0038023 k( 137) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0038023 k( 138) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0038023 k( 139) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0038023 k( 140) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0038023 k( 141) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0038023 k( 142) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038023 k( 143) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0038023 k( 144) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0038023 k( 145) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0038023 k( 146) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0038023 k( 147) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0038023 k( 148) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0038023 k( 149) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0038023 k( 150) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0038023 k( 151) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0038023 k( 152) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0038023 k( 153) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0038023 k( 154) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0038023 k( 155) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0038023 k( 156) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0038023 k( 157) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0038023 k( 158) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0038023 k( 159) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0038023 k( 160) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0038023 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 163) = ( 0.0000000 0.5036833 0.0285649), wk = 0.0038023 k( 164) = ( 0.0000000 0.5073665 0.0571297), wk = 0.0038023 k( 165) = ( 0.0000000 0.5110498 0.0856946), wk = 0.0038023 k( 166) = ( 0.0000000 0.5147331 0.1142595), wk = 0.0038023 k( 167) = ( 0.0000000 0.5184163 0.1428243), wk = 0.0038023 k( 168) = ( 0.0000000 0.5220996 0.1713892), wk = 0.0038023 k( 169) = ( 0.0000000 0.5257829 0.1999540), wk = 0.0038023 k( 170) = ( 0.0000000 0.5294662 0.2285189), wk = 0.0038023 k( 171) = ( 0.0000000 0.5331494 0.2570838), wk = 0.0038023 k( 172) = ( 0.0000000 0.5368327 0.2856486), wk = 0.0038023 k( 173) = ( 0.5000000 0.4631673 0.7143514), wk = 0.0038023 k( 174) = ( 0.5000000 0.4482264 0.7074368), wk = 0.0038023 k( 175) = ( 0.5000000 0.4332855 0.7005223), wk = 0.0038023 k( 176) = ( 0.5000000 0.4183446 0.6936077), wk = 0.0038023 k( 177) = ( 0.5000000 0.4034038 0.6866931), wk = 0.0038023 k( 178) = ( 0.5000000 0.3884629 0.6797786), wk = 0.0038023 k( 179) = ( 0.5000000 0.3735220 0.6728640), wk = 0.0038023 k( 180) = ( 0.5000000 0.3585811 0.6659495), wk = 0.0038023 k( 181) = ( 0.5000000 0.3436402 0.6590349), wk = 0.0038023 k( 182) = ( 0.5000000 0.3286994 0.6521203), wk = 0.0038023 k( 183) = ( 0.5000000 0.3137585 0.6452058), wk = 0.0038023 k( 184) = ( 0.5000000 0.2988176 0.6382912), wk = 0.0038023 k( 185) = ( 0.5000000 0.2838767 0.6313766), wk = 0.0038023 k( 186) = ( 0.5000000 0.2689358 0.6244621), wk = 0.0038023 k( 187) = ( 0.5000000 0.2539950 0.6175475), wk = 0.0038023 k( 188) = ( 0.5000000 0.2390541 0.6106330), wk = 0.0038023 k( 189) = ( 0.5000000 0.2241132 0.6037184), wk = 0.0038023 k( 190) = ( 0.5000000 0.2091723 0.5968038), wk = 0.0038023 k( 191) = ( 0.5000000 0.1942314 0.5898893), wk = 0.0038023 k( 192) = ( 0.5000000 0.1792906 0.5829747), wk = 0.0038023 k( 193) = ( 0.5000000 0.1643497 0.5760602), wk = 0.0038023 k( 194) = ( 0.5000000 0.1494088 0.5691456), wk = 0.0038023 k( 195) = ( 0.5000000 0.1344679 0.5622310), wk = 0.0038023 k( 196) = ( 0.5000000 0.1195270 0.5553165), wk = 0.0038023 k( 197) = ( 0.5000000 0.1045862 0.5484019), wk = 0.0038023 k( 198) = ( 0.5000000 0.0896453 0.5414874), wk = 0.0038023 k( 199) = ( 0.5000000 0.0747044 0.5345728), wk = 0.0038023 k( 200) = ( 0.5000000 0.0597635 0.5276582), wk = 0.0038023 k( 201) = ( 0.5000000 0.0448226 0.5207437), wk = 0.0038023 k( 202) = ( 0.5000000 0.0298818 0.5138291), wk = 0.0038023 k( 203) = ( 0.5000000 0.0149409 0.5069146), wk = 0.0038023 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 206) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0038023 k( 207) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0038023 k( 208) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0038023 k( 209) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0038023 k( 210) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0038023 k( 211) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0038023 k( 212) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0038023 k( 213) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0038023 k( 214) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0038023 k( 215) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0038023 k( 216) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0038023 k( 217) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0038023 k( 218) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0038023 k( 219) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0038023 k( 220) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0038023 k( 221) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0038023 k( 222) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0038023 k( 223) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0038023 k( 224) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 226) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0038023 k( 227) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0038023 k( 228) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0038023 k( 229) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0038023 k( 230) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0038023 k( 231) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0038023 k( 232) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0038023 k( 233) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0038023 k( 234) = ( 0.1184210 0.0000000 0.5000000), wk = 0.0038023 k( 235) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0038023 k( 236) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0038023 k( 237) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0038023 k( 238) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0038023 k( 239) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0038023 k( 240) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0038023 k( 241) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0038023 k( 242) = ( 0.2236842 0.0000000 0.5000000), wk = 0.0038023 k( 243) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0038023 k( 244) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0038023 k( 245) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0038023 k( 246) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0038023 k( 247) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0038023 k( 248) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0038023 k( 249) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0038023 k( 250) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0038023 k( 251) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0038023 k( 252) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0038023 k( 253) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0038023 k( 254) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0038023 k( 255) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0038023 k( 256) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0038023 k( 257) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0038023 k( 258) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0038023 k( 259) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0038023 k( 260) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0038023 k( 261) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0038023 k( 262) = ( 0.4868421 0.0000000 0.5000000), wk = 0.0038023 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 Dense grid: 89383 G-vectors FFT dimensions: ( 45, 48, 90) Smooth grid: 49185 G-vectors FFT dimensions: ( 36, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 356, 48) NL pseudopotentials 0.55 Mb ( 178, 204) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2485) G-vector shells 0.02 Mb ( 2267) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 356, 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 : ./CaSb2.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.8 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 16.3 secs Computing kpt #: 16 total cpu time spent up to now is 17.3 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 19.2 secs Computing kpt #: 19 total cpu time spent up to now is 20.1 secs Computing kpt #: 20 total cpu time spent up to now is 21.0 secs Computing kpt #: 21 total cpu time spent up to now is 21.9 secs Computing kpt #: 22 total cpu time spent up to now is 22.9 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 24.7 secs Computing kpt #: 25 total cpu time spent up to now is 25.7 secs Computing kpt #: 26 total cpu time spent up to now is 26.5 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.2 secs Computing kpt #: 29 total cpu time spent up to now is 29.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.0 secs Computing kpt #: 31 total cpu time spent up to now is 30.9 secs Computing kpt #: 32 total cpu time spent up to now is 31.9 secs Computing kpt #: 33 total cpu time spent up to now is 32.9 secs Computing kpt #: 34 total cpu time spent up to now is 34.0 secs Computing kpt #: 35 total cpu time spent up to now is 35.1 secs Computing kpt #: 36 total cpu time spent up to now is 36.3 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.5 secs Computing kpt #: 39 total cpu time spent up to now is 39.4 secs Computing kpt #: 40 total cpu time spent up to now is 40.3 secs Computing kpt #: 41 total cpu time spent up to now is 41.2 secs Computing kpt #: 42 total cpu time spent up to now is 42.1 secs Computing kpt #: 43 total cpu time spent up to now is 42.9 secs Computing kpt #: 44 total cpu time spent up to now is 43.6 secs Computing kpt #: 45 total cpu time spent up to now is 44.4 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 45.8 secs Computing kpt #: 48 total cpu time spent up to now is 46.5 secs Computing kpt #: 49 total cpu time spent up to now is 47.2 secs Computing kpt #: 50 total cpu time spent up to now is 47.8 secs Computing kpt #: 51 total cpu time spent up to now is 48.5 secs Computing kpt #: 52 total cpu time spent up to now is 49.1 secs Computing kpt #: 53 total cpu time spent up to now is 49.8 secs Computing kpt #: 54 total cpu time spent up to now is 50.4 secs Computing kpt #: 55 total cpu time spent up to now is 51.1 secs Computing kpt #: 56 total cpu time spent up to now is 51.8 secs Computing kpt #: 57 total cpu time spent up to now is 52.4 secs Computing kpt #: 58 total cpu time spent up to now is 53.1 secs Computing kpt #: 59 total cpu time spent up to now is 53.7 secs Computing kpt #: 60 total cpu time spent up to now is 54.5 secs Computing kpt #: 61 total cpu time spent up to now is 55.2 secs Computing kpt #: 62 total cpu time spent up to now is 55.8 secs Computing kpt #: 63 total cpu time spent up to now is 56.5 secs Computing kpt #: 64 total cpu time spent up to now is 57.2 secs Computing kpt #: 65 total cpu time spent up to now is 57.9 secs Computing kpt #: 66 total cpu time spent up to now is 58.6 secs Computing kpt #: 67 total cpu time spent up to now is 59.4 secs Computing kpt #: 68 total cpu time spent up to now is 60.2 secs Computing kpt #: 69 total cpu time spent up to now is 60.9 secs Computing kpt #: 70 total cpu time spent up to now is 61.7 secs Computing kpt #: 71 total cpu time spent up to now is 62.5 secs Computing kpt #: 72 total cpu time spent up to now is 63.4 secs Computing kpt #: 73 total cpu time spent up to now is 64.3 secs Computing kpt #: 74 total cpu time spent up to now is 65.1 secs Computing kpt #: 75 total cpu time spent up to now is 66.2 secs Computing kpt #: 76 total cpu time spent up to now is 67.2 secs Computing kpt #: 77 total cpu time spent up to now is 68.2 secs Computing kpt #: 78 total cpu time spent up to now is 69.2 secs Computing kpt #: 79 total cpu time spent up to now is 70.2 secs Computing kpt #: 80 total cpu time spent up to now is 71.2 secs Computing kpt #: 81 total cpu time spent up to now is 72.2 secs Computing kpt #: 82 total cpu time spent up to now is 73.2 secs Computing kpt #: 83 total cpu time spent up to now is 74.1 secs Computing kpt #: 84 total cpu time spent up to now is 75.1 secs Computing kpt #: 85 total cpu time spent up to now is 76.1 secs Computing kpt #: 86 total cpu time spent up to now is 77.1 secs Computing kpt #: 87 total cpu time spent up to now is 78.0 secs Computing kpt #: 88 total cpu time spent up to now is 79.0 secs Computing kpt #: 89 total cpu time spent up to now is 80.0 secs Computing kpt #: 90 total cpu time spent up to now is 80.9 secs Computing kpt #: 91 total cpu time spent up to now is 81.9 secs Computing kpt #: 92 total cpu time spent up to now is 82.8 secs Computing kpt #: 93 total cpu time spent up to now is 83.8 secs Computing kpt #: 94 total cpu time spent up to now is 84.6 secs Computing kpt #: 95 total cpu time spent up to now is 85.4 secs Computing kpt #: 96 total cpu time spent up to now is 86.1 secs Computing kpt #: 97 total cpu time spent up to now is 86.9 secs Computing kpt #: 98 total cpu time spent up to now is 87.6 secs Computing kpt #: 99 total cpu time spent up to now is 88.4 secs Computing kpt #: 100 total cpu time spent up to now is 89.1 secs Computing kpt #: 101 total cpu time spent up to now is 89.9 secs Computing kpt #: 102 total cpu time spent up to now is 90.6 secs Computing kpt #: 103 total cpu time spent up to now is 91.4 secs Computing kpt #: 104 total cpu time spent up to now is 92.1 secs Computing kpt #: 105 total cpu time spent up to now is 92.9 secs Computing kpt #: 106 total cpu time spent up to now is 93.7 secs Computing kpt #: 107 total cpu time spent up to now is 94.5 secs Computing kpt #: 108 total cpu time spent up to now is 95.3 secs Computing kpt #: 109 total cpu time spent up to now is 96.1 secs Computing kpt #: 110 total cpu time spent up to now is 97.0 secs Computing kpt #: 111 total cpu time spent up to now is 97.9 secs Computing kpt #: 112 total cpu time spent up to now is 98.7 secs Computing kpt #: 113 total cpu time spent up to now is 99.6 secs Computing kpt #: 114 total cpu time spent up to now is 100.5 secs Computing kpt #: 115 total cpu time spent up to now is 101.5 secs Computing kpt #: 116 total cpu time spent up to now is 102.4 secs Computing kpt #: 117 total cpu time spent up to now is 103.4 secs Computing kpt #: 118 total cpu time spent up to now is 104.4 secs Computing kpt #: 119 total cpu time spent up to now is 105.3 secs Computing kpt #: 120 total cpu time spent up to now is 106.3 secs Computing kpt #: 121 total cpu time spent up to now is 107.3 secs Computing kpt #: 122 total cpu time spent up to now is 108.2 secs Computing kpt #: 123 total cpu time spent up to now is 109.2 secs Computing kpt #: 124 total cpu time spent up to now is 110.1 secs Computing kpt #: 125 total cpu time spent up to now is 111.2 secs Computing kpt #: 126 total cpu time spent up to now is 112.2 secs Computing kpt #: 127 total cpu time spent up to now is 113.5 secs Computing kpt #: 128 total cpu time spent up to now is 115.1 secs Computing kpt #: 129 total cpu time spent up to now is 116.6 secs Computing kpt #: 130 total cpu time spent up to now is 118.0 secs Computing kpt #: 131 total cpu time spent up to now is 119.2 secs Computing kpt #: 132 total cpu time spent up to now is 120.3 secs Computing kpt #: 133 total cpu time spent up to now is 121.3 secs Computing kpt #: 134 total cpu time spent up to now is 122.3 secs Computing kpt #: 135 total cpu time spent up to now is 123.4 secs Computing kpt #: 136 total cpu time spent up to now is 124.3 secs Computing kpt #: 137 total cpu time spent up to now is 125.3 secs Computing kpt #: 138 total cpu time spent up to now is 126.3 secs Computing kpt #: 139 total cpu time spent up to now is 127.3 secs Computing kpt #: 140 total cpu time spent up to now is 128.2 secs Computing kpt #: 141 total cpu time spent up to now is 129.2 secs Computing kpt #: 142 total cpu time spent up to now is 130.2 secs Computing kpt #: 143 total cpu time spent up to now is 131.2 secs Computing kpt #: 144 total cpu time spent up to now is 132.1 secs Computing kpt #: 145 total cpu time spent up to now is 133.1 secs Computing kpt #: 146 total cpu time spent up to now is 134.1 secs Computing kpt #: 147 total cpu time spent up to now is 135.1 secs Computing kpt #: 148 total cpu time spent up to now is 136.1 secs Computing kpt #: 149 total cpu time spent up to now is 137.0 secs Computing kpt #: 150 total cpu time spent up to now is 138.0 secs Computing kpt #: 151 total cpu time spent up to now is 138.9 secs Computing kpt #: 152 total cpu time spent up to now is 139.8 secs Computing kpt #: 153 total cpu time spent up to now is 140.6 secs Computing kpt #: 154 total cpu time spent up to now is 141.4 secs Computing kpt #: 155 total cpu time spent up to now is 142.1 secs Computing kpt #: 156 total cpu time spent up to now is 142.8 secs Computing kpt #: 157 total cpu time spent up to now is 143.5 secs Computing kpt #: 158 total cpu time spent up to now is 144.1 secs Computing kpt #: 159 total cpu time spent up to now is 144.7 secs Computing kpt #: 160 total cpu time spent up to now is 145.4 secs Computing kpt #: 161 total cpu time spent up to now is 146.0 secs Computing kpt #: 162 total cpu time spent up to now is 146.6 secs Computing kpt #: 163 total cpu time spent up to now is 147.3 secs Computing kpt #: 164 total cpu time spent up to now is 147.9 secs Computing kpt #: 165 total cpu time spent up to now is 148.6 secs Computing kpt #: 166 total cpu time spent up to now is 149.2 secs Computing kpt #: 167 total cpu time spent up to now is 149.8 secs Computing kpt #: 168 total cpu time spent up to now is 150.5 secs Computing kpt #: 169 total cpu time spent up to now is 151.1 secs Computing kpt #: 170 total cpu time spent up to now is 151.8 secs Computing kpt #: 171 total cpu time spent up to now is 152.5 secs Computing kpt #: 172 total cpu time spent up to now is 153.1 secs Computing kpt #: 173 total cpu time spent up to now is 154.0 secs Computing kpt #: 174 total cpu time spent up to now is 154.9 secs Computing kpt #: 175 total cpu time spent up to now is 155.7 secs Computing kpt #: 176 total cpu time spent up to now is 156.5 secs Computing kpt #: 177 total cpu time spent up to now is 157.4 secs Computing kpt #: 178 total cpu time spent up to now is 158.3 secs Computing kpt #: 179 total cpu time spent up to now is 159.2 secs Computing kpt #: 180 total cpu time spent up to now is 160.0 secs Computing kpt #: 181 total cpu time spent up to now is 160.9 secs Computing kpt #: 182 total cpu time spent up to now is 161.8 secs Computing kpt #: 183 total cpu time spent up to now is 162.7 secs Computing kpt #: 184 total cpu time spent up to now is 163.6 secs Computing kpt #: 185 total cpu time spent up to now is 164.5 secs Computing kpt #: 186 total cpu time spent up to now is 165.3 secs Computing kpt #: 187 total cpu time spent up to now is 166.1 secs Computing kpt #: 188 total cpu time spent up to now is 167.0 secs Computing kpt #: 189 total cpu time spent up to now is 168.0 secs Computing kpt #: 190 total cpu time spent up to now is 168.9 secs Computing kpt #: 191 total cpu time spent up to now is 169.6 secs Computing kpt #: 192 total cpu time spent up to now is 170.5 secs Computing kpt #: 193 total cpu time spent up to now is 171.3 secs Computing kpt #: 194 total cpu time spent up to now is 172.1 secs Computing kpt #: 195 total cpu time spent up to now is 173.0 secs Computing kpt #: 196 total cpu time spent up to now is 173.9 secs Computing kpt #: 197 total cpu time spent up to now is 174.9 secs Computing kpt #: 198 total cpu time spent up to now is 175.9 secs Computing kpt #: 199 total cpu time spent up to now is 176.9 secs Computing kpt #: 200 total cpu time spent up to now is 177.9 secs Computing kpt #: 201 total cpu time spent up to now is 178.9 secs Computing kpt #: 202 total cpu time spent up to now is 180.0 secs Computing kpt #: 203 total cpu time spent up to now is 181.0 secs Computing kpt #: 204 total cpu time spent up to now is 182.1 secs Computing kpt #: 205 total cpu time spent up to now is 183.1 secs Computing kpt #: 206 total cpu time spent up to now is 184.2 secs Computing kpt #: 207 total cpu time spent up to now is 185.2 secs Computing kpt #: 208 total cpu time spent up to now is 186.2 secs Computing kpt #: 209 total cpu time spent up to now is 187.2 secs Computing kpt #: 210 total cpu time spent up to now is 188.1 secs Computing kpt #: 211 total cpu time spent up to now is 188.9 secs Computing kpt #: 212 total cpu time spent up to now is 189.7 secs Computing kpt #: 213 total cpu time spent up to now is 190.5 secs Computing kpt #: 214 total cpu time spent up to now is 191.3 secs Computing kpt #: 215 total cpu time spent up to now is 192.0 secs Computing kpt #: 216 total cpu time spent up to now is 192.8 secs Computing kpt #: 217 total cpu time spent up to now is 193.5 secs Computing kpt #: 218 total cpu time spent up to now is 194.3 secs Computing kpt #: 219 total cpu time spent up to now is 195.0 secs Computing kpt #: 220 total cpu time spent up to now is 195.7 secs Computing kpt #: 221 total cpu time spent up to now is 196.3 secs Computing kpt #: 222 total cpu time spent up to now is 197.0 secs Computing kpt #: 223 total cpu time spent up to now is 197.6 secs Computing kpt #: 224 total cpu time spent up to now is 198.3 secs Computing kpt #: 225 total cpu time spent up to now is 199.2 secs Computing kpt #: 226 total cpu time spent up to now is 200.1 secs Computing kpt #: 227 total cpu time spent up to now is 201.0 secs Computing kpt #: 228 total cpu time spent up to now is 201.9 secs Computing kpt #: 229 total cpu time spent up to now is 202.9 secs Computing kpt #: 230 total cpu time spent up to now is 203.8 secs Computing kpt #: 231 total cpu time spent up to now is 204.8 secs Computing kpt #: 232 total cpu time spent up to now is 205.8 secs Computing kpt #: 233 total cpu time spent up to now is 206.7 secs Computing kpt #: 234 total cpu time spent up to now is 207.7 secs Computing kpt #: 235 total cpu time spent up to now is 208.7 secs Computing kpt #: 236 total cpu time spent up to now is 209.8 secs Computing kpt #: 237 total cpu time spent up to now is 210.8 secs Computing kpt #: 238 total cpu time spent up to now is 211.9 secs Computing kpt #: 239 total cpu time spent up to now is 212.9 secs Computing kpt #: 240 total cpu time spent up to now is 214.0 secs Computing kpt #: 241 total cpu time spent up to now is 215.0 secs Computing kpt #: 242 total cpu time spent up to now is 216.0 secs Computing kpt #: 243 total cpu time spent up to now is 217.1 secs Computing kpt #: 244 total cpu time spent up to now is 218.1 secs Computing kpt #: 245 total cpu time spent up to now is 219.1 secs Computing kpt #: 246 total cpu time spent up to now is 220.0 secs Computing kpt #: 247 total cpu time spent up to now is 221.0 secs Computing kpt #: 248 total cpu time spent up to now is 222.0 secs Computing kpt #: 249 total cpu time spent up to now is 222.9 secs Computing kpt #: 250 total cpu time spent up to now is 223.9 secs Computing kpt #: 251 total cpu time spent up to now is 224.9 secs Computing kpt #: 252 total cpu time spent up to now is 225.8 secs Computing kpt #: 253 total cpu time spent up to now is 226.8 secs Computing kpt #: 254 total cpu time spent up to now is 227.8 secs Computing kpt #: 255 total cpu time spent up to now is 228.8 secs Computing kpt #: 256 total cpu time spent up to now is 229.8 secs Computing kpt #: 257 total cpu time spent up to now is 230.8 secs Computing kpt #: 258 total cpu time spent up to now is 231.9 secs Computing kpt #: 259 total cpu time spent up to now is 233.0 secs Computing kpt #: 260 total cpu time spent up to now is 234.2 secs Computing kpt #: 261 total cpu time spent up to now is 235.6 secs Computing kpt #: 262 total cpu time spent up to now is 236.7 secs Computing kpt #: 263 total cpu time spent up to now is 237.8 secs ethr = 2.50E-08, avg # of iterations = 37.4 total cpu time spent up to now is 237.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6175 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2387 -15.2387 -15.2285 -15.2285 -14.8828 -14.8828 -14.8695 -14.8695 -14.8339 -14.8339 -14.8275 -14.8275 -4.2756 -4.2756 -3.4431 -3.4431 -0.8101 -0.8101 1.1127 1.1127 3.9215 3.9215 4.1722 4.1722 4.7870 4.7870 5.0450 5.0450 5.0485 5.0485 5.4997 5.4997 6.7735 6.7735 7.6209 7.6209 7.9513 7.9513 8.7105 8.7105 8.8453 8.8453 9.2484 9.2484 k = 0.0000 0.0000 0.0126 ( 6177 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2387 -15.2387 -15.2285 -15.2285 -14.8828 -14.8828 -14.8695 -14.8695 -14.8339 -14.8339 -14.8275 -14.8275 -4.2747 -4.2747 -3.4450 -3.4450 -0.8075 -0.8075 1.1120 1.1120 3.9209 3.9209 4.1574 4.1574 4.7934 4.7934 5.0245 5.0245 5.0787 5.0787 5.5002 5.5002 6.7747 6.7747 7.6146 7.6146 7.9546 7.9546 8.7120 8.7120 8.8468 8.8468 9.2474 9.2474 k = 0.0000 0.0000 0.0252 ( 6173 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2387 -15.2387 -15.2285 -15.2285 -14.8827 -14.8827 -14.8695 -14.8695 -14.8339 -14.8339 -14.8275 -14.8275 -4.2719 -4.2719 -3.4506 -3.4506 -0.7997 -0.7997 1.1099 1.1099 3.9187 3.9187 4.1170 4.1170 4.8095 4.8095 5.0099 5.0099 5.1218 5.1218 5.5022 5.5022 6.7783 6.7783 7.5968 7.5968 7.9633 7.9633 8.7163 8.7163 8.8510 8.8510 9.2445 9.2445 k = 0.0000 0.0000 0.0378 ( 6173 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2387 -15.2387 -15.2286 -15.2286 -14.8826 -14.8826 -14.8696 -14.8696 -14.8338 -14.8338 -14.8275 -14.8275 -4.2674 -4.2674 -3.4597 -3.4597 -0.7870 -0.7870 1.1063 1.1063 3.9135 3.9135 4.0600 4.0600 4.8289 4.8289 5.0008 5.0008 5.1751 5.1751 5.5069 5.5069 6.7842 6.7842 7.5696 7.5696 7.9756 7.9756 8.7232 8.7232 8.8581 8.8581 9.2407 9.2407 k = 0.0000 0.0000 0.0504 ( 6164 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2386 -15.2386 -15.2287 -15.2287 -14.8825 -14.8825 -14.8697 -14.8697 -14.8338 -14.8338 -14.8276 -14.8276 -4.2611 -4.2611 -3.4723 -3.4723 -0.7695 -0.7695 1.1014 1.1014 3.8994 3.8994 4.0001 4.0001 4.8471 4.8471 4.9960 4.9960 5.2339 5.2339 5.5178 5.5178 6.7923 6.7923 7.5354 7.5354 7.9894 7.9894 8.7323 8.7323 8.8678 8.8678 9.2368 9.2368 k = 0.0000 0.0000 0.0630 ( 6158 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2385 -15.2385 -15.2287 -15.2287 -14.8824 -14.8824 -14.8698 -14.8698 -14.8337 -14.8337 -14.8276 -14.8276 -4.2530 -4.2530 -3.4881 -3.4881 -0.7478 -0.7478 1.0951 1.0951 3.8594 3.8594 3.9595 3.9595 4.8625 4.8625 4.9945 4.9945 5.2889 5.2889 5.5409 5.5409 6.8024 6.8024 7.4963 7.4963 8.0030 8.0030 8.7429 8.7429 8.8802 8.8802 9.2335 9.2335 k = 0.0000 0.0000 0.0756 ( 6153 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2384 -15.2384 -15.2288 -15.2288 -14.8822 -14.8822 -14.8699 -14.8699 -14.8337 -14.8337 -14.8277 -14.8277 -4.2432 -4.2432 -3.5066 -3.5066 -0.7222 -0.7222 1.0874 1.0874 3.7917 3.7917 3.9439 3.9439 4.8751 4.8751 4.9957 4.9957 5.3293 5.3293 5.5838 5.5838 6.8143 6.8143 7.4541 7.4541 8.0156 8.0156 8.7538 8.7538 8.8950 8.8950 9.2310 9.2310 k = 0.0000 0.0000 0.0883 ( 6158 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2382 -15.2382 -15.2289 -15.2289 -14.8821 -14.8821 -14.8701 -14.8701 -14.8336 -14.8336 -14.8278 -14.8278 -4.2319 -4.2319 -3.5277 -3.5277 -0.6934 -0.6934 1.0785 1.0785 3.7147 3.7147 3.9377 3.9377 4.8855 4.8855 4.9991 4.9991 5.3510 5.3510 5.6479 5.6479 6.8275 6.8275 7.4103 7.4103 8.0267 8.0267 8.7631 8.7631 8.9120 8.9120 9.2298 9.2298 k = 0.0000 0.0000 0.1009 ( 6158 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2381 -15.2381 -15.2291 -15.2291 -14.8819 -14.8819 -14.8703 -14.8703 -14.8336 -14.8336 -14.8278 -14.8278 -4.2189 -4.2189 -3.5509 -3.5509 -0.6621 -0.6621 1.0684 1.0684 3.6368 3.6368 3.9343 3.9343 4.8941 4.8941 5.0042 5.0042 5.3585 5.3585 5.7266 5.7266 6.8412 6.8412 7.3661 7.3661 8.0365 8.0365 8.7685 8.7685 8.9308 8.9308 9.2303 9.2303 k = 0.0000 0.0000 0.1135 ( 6164 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2380 -15.2380 -15.2292 -15.2292 -14.8817 -14.8817 -14.8705 -14.8705 -14.8335 -14.8335 -14.8279 -14.8279 -4.2046 -4.2046 -3.5757 -3.5757 -0.6289 -0.6289 1.0572 1.0572 3.5610 3.5610 3.9320 3.9320 4.9015 4.9015 5.0107 5.0107 5.3577 5.3577 5.8127 5.8127 6.8543 6.8543 7.3232 7.3232 8.0455 8.0455 8.7667 8.7667 8.9508 8.9508 9.2338 9.2338 k = 0.0000 0.0000 0.1261 ( 6162 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2378 -15.2378 -15.2293 -15.2293 -14.8815 -14.8815 -14.8707 -14.8707 -14.8335 -14.8335 -14.8280 -14.8280 -4.1890 -4.1890 -3.6018 -3.6018 -0.5947 -0.5947 1.0452 1.0452 3.4892 3.4892 3.9302 3.9302 4.9080 4.9080 5.0184 5.0184 5.3522 5.3522 5.9014 5.9014 6.8651 6.8651 7.2832 7.2832 8.0545 8.0545 8.7547 8.7547 8.9711 8.9711 9.2423 9.2423 k = 0.0000 0.0000 0.1387 ( 6167 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2377 -15.2377 -15.2295 -15.2295 -14.8813 -14.8813 -14.8709 -14.8709 -14.8334 -14.8334 -14.8281 -14.8281 -4.1723 -4.1723 -3.6287 -3.6287 -0.5603 -0.5603 1.0326 1.0326 3.4224 3.4224 3.9288 3.9288 4.9136 4.9136 5.0268 5.0268 5.3440 5.3440 5.9898 5.9898 6.8711 6.8711 7.2486 7.2486 8.0645 8.0645 8.7308 8.7308 8.9911 8.9911 9.2568 9.2568 k = 0.0000 0.0000 0.1513 ( 6165 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2376 -15.2376 -15.2296 -15.2296 -14.8811 -14.8811 -14.8711 -14.8711 -14.8333 -14.8333 -14.8282 -14.8282 -4.1547 -4.1547 -3.6559 -3.6559 -0.5266 -0.5266 1.0197 1.0197 3.3617 3.3617 3.9276 3.9276 4.9187 4.9187 5.0356 5.0356 5.3343 5.3343 6.0764 6.0764 6.8693 6.8693 7.2218 7.2218 8.0767 8.0767 8.6948 8.6948 9.0104 9.0104 9.2767 9.2767 k = 0.0000 0.0000 0.1639 ( 6156 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2374 -15.2374 -15.2298 -15.2298 -14.8808 -14.8808 -14.8713 -14.8713 -14.8332 -14.8332 -14.8283 -14.8283 -4.1367 -4.1367 -3.6827 -3.6827 -0.4946 -0.4946 1.0069 1.0069 3.3076 3.3076 3.9265 3.9265 4.9231 4.9231 5.0446 5.0446 5.3239 5.3239 6.1600 6.1600 6.8571 6.8571 7.2047 7.2047 8.0922 8.0922 8.6486 8.6486 9.0285 9.0285 9.2998 9.2998 k = 0.0000 0.0000 0.1765 ( 6153 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2373 -15.2373 -15.2299 -15.2299 -14.8807 -14.8807 -14.8714 -14.8714 -14.8332 -14.8332 -14.8283 -14.8283 -4.1187 -4.1187 -3.7086 -3.7086 -0.4654 -0.4654 0.9948 0.9948 3.2609 3.2609 3.9257 3.9257 4.9269 4.9269 5.0535 5.0535 5.3135 5.3135 6.2400 6.2400 6.8335 6.8335 7.1974 7.1974 8.1120 8.1120 8.5949 8.5949 9.0451 9.0451 9.3229 9.3229 k = 0.0000 0.0000 0.1891 ( 6146 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2371 -15.2371 -15.2300 -15.2300 -14.8805 -14.8805 -14.8716 -14.8716 -14.8331 -14.8331 -14.8284 -14.8284 -4.1014 -4.1014 -3.7326 -3.7326 -0.4397 -0.4397 0.9838 0.9838 3.2221 3.2221 3.9249 3.9249 4.9301 4.9301 5.0617 5.0617 5.3037 5.3037 6.3160 6.3160 6.7999 6.7999 7.1975 7.1975 8.1372 8.1372 8.5366 8.5366 9.0597 9.0597 9.3436 9.3436 k = 0.0000 0.0000 0.2017 ( 6134 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2370 -15.2370 -15.2301 -15.2301 -14.8803 -14.8803 -14.8717 -14.8717 -14.8331 -14.8331 -14.8284 -14.8284 -4.0856 -4.0856 -3.7536 -3.7536 -0.4186 -0.4186 0.9745 0.9745 3.1914 3.1914 3.9244 3.9244 4.9327 4.9327 5.0689 5.0689 5.2952 5.2952 6.3876 6.3876 6.7586 6.7586 7.2017 7.2017 8.1684 8.1684 8.4763 8.4763 9.0717 9.0717 9.3603 9.3603 k = 0.0000 0.0000 0.2143 ( 6134 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2301 -15.2301 -14.8802 -14.8802 -14.8718 -14.8718 -14.8330 -14.8330 -14.8285 -14.8285 -4.0728 -4.0728 -3.7704 -3.7704 -0.4029 -0.4029 0.9674 0.9674 3.1693 3.1693 3.9239 3.9239 4.9346 4.9346 5.0746 5.0746 5.2885 5.2885 6.4540 6.4540 6.7124 6.7124 7.2070 7.2070 8.2056 8.2056 8.4164 8.4164 9.0806 9.0806 9.3724 9.3724 k = 0.0000 0.0000 0.2269 ( 6139 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8285 -14.8285 -4.0642 -4.0642 -3.7813 -3.7813 -0.3932 -0.3932 0.9630 0.9630 3.1559 3.1559 3.9237 3.9237 4.9357 4.9357 5.0782 5.0782 5.2842 5.2842 6.5120 6.5120 6.6659 6.6659 7.2111 7.2111 8.2481 8.2481 8.3595 8.3595 9.0862 9.0862 9.3796 9.3796 k = 0.0000 0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8285 -14.8285 -4.0611 -4.0611 -3.7851 -3.7851 -0.3899 -0.3899 0.9614 0.9614 3.1515 3.1515 3.9236 3.9236 4.9361 4.9361 5.0795 5.0795 5.2827 5.2827 6.5427 6.5427 6.6389 6.6389 7.2126 7.2126 8.2824 8.2824 8.3204 8.3204 9.0881 9.0881 9.3820 9.3820 k = 0.0000 0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8285 -14.8285 -4.0611 -4.0611 -3.7851 -3.7851 -0.3899 -0.3899 0.9614 0.9614 3.1515 3.1515 3.9236 3.9236 4.9361 4.9361 5.0795 5.0795 5.2827 5.2827 6.5427 6.5427 6.6389 6.6389 7.2126 7.2126 8.2824 8.2824 8.3204 8.3204 9.0881 9.0881 9.3820 9.3820 k = 0.0000 0.0131 0.2395 ( 6143 PWs) bands (ev): -33.9576 -33.9576 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8285 -14.8285 -4.0599 -4.0599 -3.7846 -3.7846 -0.3894 -0.3894 0.9547 0.9547 3.1493 3.1493 3.9327 3.9327 4.9332 4.9332 5.0780 5.0780 5.2828 5.2828 6.5416 6.5416 6.6394 6.6394 7.2127 7.2127 8.2301 8.2301 8.3784 8.3784 9.0847 9.0847 9.3760 9.3760 k = 0.0000 0.0263 0.2395 ( 6140 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8802 -14.8802 -14.8720 -14.8720 -14.8330 -14.8330 -14.8285 -14.8285 -4.0564 -4.0564 -3.7829 -3.7829 -0.3879 -0.3879 0.9348 0.9348 3.1433 3.1433 3.9595 3.9595 4.9239 4.9239 5.0746 5.0746 5.2829 5.2829 6.5375 6.5375 6.6410 6.6410 7.2126 7.2126 8.1708 8.1708 8.4549 8.4549 9.0749 9.0749 9.3589 9.3589 k = 0.0000 0.0394 0.2395 ( 6136 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2370 -15.2370 -15.2303 -15.2303 -14.8802 -14.8802 -14.8721 -14.8721 -14.8330 -14.8330 -14.8285 -14.8285 -4.0504 -4.0504 -3.7802 -3.7802 -0.3856 -0.3856 0.9022 0.9022 3.1345 3.1345 4.0019 4.0019 4.9064 4.9064 5.0720 5.0720 5.2830 5.2830 6.5291 6.5291 6.6448 6.6448 7.2112 7.2112 8.1220 8.1220 8.5328 8.5328 9.0594 9.0594 9.3332 9.3332 k = 0.0000 0.0526 0.2395 ( 6135 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2370 -15.2370 -15.2303 -15.2303 -14.8803 -14.8803 -14.8722 -14.8722 -14.8331 -14.8331 -14.8285 -14.8285 -4.0421 -4.0421 -3.7764 -3.7764 -0.3823 -0.3823 0.8579 0.8579 3.1242 3.1242 4.0577 4.0577 4.8792 4.8792 5.0729 5.0729 5.2831 5.2831 6.5145 6.5145 6.6514 6.6514 7.2073 7.2073 8.0863 8.0863 8.6088 8.6088 9.0396 9.0396 9.3026 9.3026 k = 0.0000 0.0657 0.2395 ( 6141 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2371 -15.2371 -15.2305 -15.2305 -14.8805 -14.8805 -14.8724 -14.8724 -14.8331 -14.8331 -14.8285 -14.8285 -4.0314 -4.0314 -3.7715 -3.7715 -0.3781 -0.3781 0.8029 0.8029 3.1137 3.1137 4.1239 4.1239 4.8429 4.8429 5.0786 5.0786 5.2833 5.2833 6.4923 6.4923 6.6609 6.6609 7.2001 7.2001 8.0648 8.0648 8.6797 8.6797 9.0174 9.0174 9.2710 9.2710 k = 0.0000 0.0789 0.2395 ( 6146 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2372 -15.2372 -15.2306 -15.2306 -14.8806 -14.8806 -14.8726 -14.8726 -14.8331 -14.8331 -14.8286 -14.8286 -4.0185 -4.0185 -3.7656 -3.7656 -0.3732 -0.3732 0.7386 0.7386 3.1039 3.1039 4.1976 4.1976 4.7997 4.7997 5.0888 5.0888 5.2837 5.2837 6.4617 6.4617 6.6728 6.6728 7.1904 7.1904 8.0569 8.0569 8.7409 8.7409 8.9964 8.9964 9.2428 9.2428 k = 0.0000 0.0920 0.2395 ( 6150 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2373 -15.2373 -15.2307 -15.2307 -14.8808 -14.8808 -14.8728 -14.8728 -14.8332 -14.8332 -14.8286 -14.8286 -4.0032 -4.0032 -3.7587 -3.7587 -0.3677 -0.3677 0.6662 0.6662 3.0952 3.0952 4.2755 4.2755 4.7526 4.7526 5.1030 5.1030 5.2847 5.2847 6.4221 6.4221 6.6864 6.6864 7.1796 7.1796 8.0600 8.0600 8.7845 8.7845 8.9824 8.9824 9.2231 9.2231 k = 0.0000 0.1052 0.2395 ( 6146 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2374 -15.2374 -15.2309 -15.2309 -14.8810 -14.8810 -14.8731 -14.8731 -14.8332 -14.8332 -14.8286 -14.8286 -3.9858 -3.9858 -3.7508 -3.7508 -0.3616 -0.3616 0.5871 0.5871 3.0879 3.0879 4.3525 4.3525 4.7067 4.7067 5.1202 5.1202 5.2868 5.2868 6.3735 6.3735 6.7006 6.7006 7.1703 7.1703 8.0703 8.0703 8.8011 8.8011 8.9830 8.9830 9.2166 9.2166 k = 0.0000 0.1183 0.2395 ( 6148 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2375 -15.2375 -15.2311 -15.2311 -14.8812 -14.8812 -14.8733 -14.8733 -14.8332 -14.8332 -14.8286 -14.8286 -3.9661 -3.9661 -3.7421 -3.7421 -0.3552 -0.3552 0.5027 0.5027 3.0819 3.0819 4.4178 4.4178 4.6729 4.6729 5.1395 5.1395 5.2910 5.2910 6.3165 6.3165 6.7143 6.7143 7.1648 7.1648 8.0833 8.0833 8.7909 8.7909 8.9971 8.9971 9.2265 9.2265 k = 0.0000 0.1315 0.2395 ( 6150 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2377 -15.2377 -15.2313 -15.2313 -14.8814 -14.8814 -14.8737 -14.8737 -14.8333 -14.8333 -14.8287 -14.8287 -3.9443 -3.9443 -3.7324 -3.7324 -0.3487 -0.3487 0.4143 0.4143 3.0772 3.0772 4.4478 4.4478 4.6743 4.6743 5.1593 5.1593 5.2989 5.2989 6.2521 6.2521 6.7266 6.7266 7.1648 7.1648 8.0951 8.0951 8.7647 8.7647 9.0173 9.0173 9.2515 9.2515 k = 0.0000 0.1446 0.2395 ( 6159 PWs) bands (ev): -33.9575 -33.9575 -33.9562 -33.9562 -15.2379 -15.2379 -15.2315 -15.2315 -14.8817 -14.8817 -14.8740 -14.8740 -14.8334 -14.8334 -14.8287 -14.8287 -3.9205 -3.9205 -3.7219 -3.7219 -0.3427 -0.3427 0.3231 0.3231 3.0735 3.0735 4.4303 4.4303 4.7228 4.7228 5.1775 5.1775 5.3132 5.3132 6.1817 6.1817 6.7363 6.7363 7.1716 7.1716 8.1024 8.1024 8.7307 8.7307 9.0406 9.0406 9.2862 9.2862 k = 0.0000 0.1578 0.2395 ( 6150 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2380 -15.2380 -15.2317 -15.2317 -14.8819 -14.8819 -14.8744 -14.8744 -14.8334 -14.8334 -14.8287 -14.8287 -3.8948 -3.8948 -3.7106 -3.7106 -0.3376 -0.3376 0.2307 0.2307 3.0704 3.0704 4.3882 4.3882 4.7949 4.7949 5.1919 5.1919 5.3364 5.3364 6.1070 6.1070 6.7426 6.7426 7.1857 7.1857 8.1037 8.1037 8.6933 8.6933 9.0671 9.0671 9.3249 9.3249 k = 0.0000 0.1709 0.2395 ( 6158 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2382 -15.2382 -15.2319 -15.2319 -14.8822 -14.8822 -14.8748 -14.8748 -14.8335 -14.8335 -14.8287 -14.8287 -3.8674 -3.8674 -3.6985 -3.6985 -0.3346 -0.3346 0.1389 0.1389 3.0676 3.0676 4.3387 4.3387 4.8724 4.8724 5.2020 5.2020 5.3700 5.3700 6.0295 6.0295 6.7448 6.7448 7.2070 7.2070 8.0987 8.0987 8.6543 8.6543 9.0950 9.0950 9.3633 9.3633 k = 0.0000 0.1841 0.2395 ( 6156 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2383 -15.2383 -15.2322 -15.2322 -14.8825 -14.8825 -14.8751 -14.8751 -14.8335 -14.8335 -14.8287 -14.8287 -3.8383 -3.8383 -3.6856 -3.6856 -0.3358 -0.3358 0.0504 0.0504 3.0648 3.0648 4.2881 4.2881 4.9475 4.9475 5.2090 5.2090 5.4139 5.4139 5.9509 5.9509 6.7425 6.7425 7.2351 7.2351 8.0882 8.0882 8.6149 8.6149 9.1192 9.1192 9.3975 9.3975 k = 0.0000 0.1972 0.2395 ( 6160 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2385 -15.2385 -15.2324 -15.2324 -14.8828 -14.8828 -14.8756 -14.8756 -14.8335 -14.8335 -14.8288 -14.8288 -3.8081 -3.8081 -3.6717 -3.6717 -0.3450 -0.3450 -0.0304 -0.0304 3.0616 3.0616 4.2394 4.2394 5.0151 5.0151 5.2157 5.2157 5.4671 5.4671 5.8730 5.8730 6.7357 6.7357 7.2692 7.2692 8.0735 8.0735 8.5757 8.5757 9.1316 9.1316 9.4190 9.4190 k = 0.0000 0.2104 0.2395 ( 6152 PWs) bands (ev): -33.9574 -33.9574 -33.9561 -33.9561 -15.2387 -15.2387 -15.2327 -15.2327 -14.8831 -14.8831 -14.8760 -14.8760 -14.8336 -14.8336 -14.8288 -14.8288 -3.7771 -3.7771 -3.6565 -3.6565 -0.3689 -0.3689 -0.0964 -0.0964 3.0578 3.0578 4.1940 4.1940 5.0701 5.0701 5.2264 5.2264 5.5283 5.5283 5.7975 5.7975 6.7246 6.7246 7.3085 7.3085 8.0559 8.0559 8.5370 8.5370 9.1234 9.1234 9.4060 9.4060 k = 0.0000 0.2235 0.2395 ( 6157 PWs) bands (ev): -33.9574 -33.9574 -33.9561 -33.9561 -15.2389 -15.2389 -15.2329 -15.2329 -14.8834 -14.8834 -14.8764 -14.8764 -14.8336 -14.8336 -14.8287 -14.8287 -3.7461 -3.7461 -3.6397 -3.6397 -0.4144 -0.4144 -0.1402 -0.1402 3.0530 3.0530 4.1528 4.1528 5.1065 5.1065 5.2461 5.2461 5.5959 5.5959 5.7267 5.7267 6.7093 6.7093 7.3517 7.3517 8.0368 8.0368 8.4991 8.4991 9.0892 9.0892 9.3637 9.3637 k = 0.0000 0.2367 0.2395 ( 6162 PWs) bands (ev): -33.9573 -33.9573 -33.9561 -33.9561 -15.2391 -15.2391 -15.2332 -15.2332 -14.8837 -14.8837 -14.8768 -14.8768 -14.8337 -14.8337 -14.8288 -14.8288 -3.7162 -3.7162 -3.6202 -3.6202 -0.4803 -0.4803 -0.1627 -0.1627 3.0472 3.0472 4.1164 4.1164 5.1230 5.1230 5.2749 5.2749 5.6553 5.6553 5.6766 5.6766 6.6904 6.6904 7.3981 7.3981 8.0171 8.0171 8.4617 8.4617 9.0316 9.0316 9.3161 9.3161 k = 0.0000 0.2498 0.2395 ( 6159 PWs) bands (ev): -33.9573 -33.9573 -33.9561 -33.9561 -15.2393 -15.2393 -15.2334 -15.2334 -14.8840 -14.8840 -14.8772 -14.8772 -14.8337 -14.8337 -14.8287 -14.8287 -3.6888 -3.6888 -3.5970 -3.5970 -0.5588 -0.5588 -0.1712 -0.1712 3.0402 3.0402 4.0850 4.0850 5.1251 5.1251 5.3040 5.3040 5.6105 5.6105 5.7460 5.7460 6.6686 6.6686 7.4463 7.4463 7.9975 7.9975 8.4248 8.4248 8.9595 8.9595 9.2671 9.2671 k = 0.0000 0.2630 0.2395 ( 6156 PWs) bands (ev): -33.9573 -33.9573 -33.9561 -33.9561 -15.2395 -15.2395 -15.2336 -15.2336 -14.8843 -14.8843 -14.8776 -14.8776 -14.8337 -14.8337 -14.8287 -14.8287 -3.6653 -3.6653 -3.5691 -3.5691 -0.6430 -0.6430 -0.1724 -0.1724 3.0320 3.0320 4.0590 4.0590 5.1184 5.1184 5.3220 5.3220 5.5798 5.5798 5.8222 5.8222 6.6449 6.6449 7.4951 7.4951 7.9786 7.9786 8.3876 8.3876 8.8810 8.8810 9.2144 9.2144 k = 0.0000 0.2761 0.2395 ( 6157 PWs) bands (ev): -33.9573 -33.9573 -33.9561 -33.9561 -15.2397 -15.2397 -15.2339 -15.2339 -14.8847 -14.8847 -14.8780 -14.8780 -14.8337 -14.8337 -14.8287 -14.8287 -3.6458 -3.6458 -3.5367 -3.5367 -0.7288 -0.7288 -0.1698 -0.1698 3.0230 3.0230 4.0380 4.0380 5.1052 5.1052 5.3211 5.3211 5.5758 5.5758 5.8973 5.8973 6.6206 6.6206 7.5429 7.5429 7.9609 7.9609 8.3496 8.3496 8.8021 8.8021 9.1563 9.1563 k = 0.0000 0.2893 0.2395 ( 6156 PWs) bands (ev): -33.9573 -33.9573 -33.9560 -33.9560 -15.2399 -15.2399 -15.2341 -15.2341 -14.8850 -14.8850 -14.8783 -14.8783 -14.8338 -14.8338 -14.8287 -14.8287 -3.6298 -3.6298 -3.5008 -3.5008 -0.8140 -0.8140 -0.1655 -0.1655 3.0132 3.0132 4.0219 4.0219 5.0862 5.0862 5.3050 5.3050 5.5954 5.5954 5.9688 5.9688 6.5978 6.5978 7.5876 7.5876 7.9455 7.9455 8.3096 8.3096 8.7269 8.7269 9.0924 9.0924 k = 0.0000 0.3024 0.2395 ( 6157 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2400 -15.2400 -15.2343 -15.2343 -14.8853 -14.8853 -14.8787 -14.8787 -14.8338 -14.8338 -14.8287 -14.8287 -3.6164 -3.6164 -3.4626 -3.4626 -0.8971 -0.8971 -0.1606 -0.1606 3.0031 3.0031 4.0104 4.0104 5.0623 5.0623 5.2833 5.2833 5.6289 5.6289 6.0333 6.0333 6.5794 6.5794 7.6263 7.6263 7.9339 7.9339 8.2665 8.2665 8.6585 8.6585 9.0231 9.0231 k = 0.0000 0.3156 0.2395 ( 6160 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2402 -15.2402 -15.2345 -15.2345 -14.8856 -14.8856 -14.8790 -14.8790 -14.8338 -14.8338 -14.8287 -14.8287 -3.6050 -3.6050 -3.4232 -3.4232 -0.9771 -0.9771 -0.1555 -0.1555 2.9932 2.9932 4.0029 4.0029 5.0345 5.0345 5.2628 5.2628 5.6689 5.6689 6.0869 6.0869 6.5695 6.5695 7.6551 7.6551 7.9290 7.9290 8.2195 8.2195 8.5989 8.5989 8.9498 8.9498 k = 0.0000 0.3287 0.2395 ( 6162 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2404 -15.2404 -15.2347 -15.2347 -14.8858 -14.8858 -14.8793 -14.8793 -14.8339 -14.8339 -14.8286 -14.8286 -3.5955 -3.5955 -3.3834 -3.3834 -1.0530 -1.0530 -0.1509 -0.1509 2.9838 2.9838 3.9988 3.9988 5.0049 5.0049 5.2457 5.2457 5.7115 5.7115 6.1248 6.1248 6.5730 6.5730 7.6698 7.6698 7.9331 7.9331 8.1687 8.1687 8.5489 8.5489 8.8742 8.8742 k = 0.0000 0.3419 0.2395 ( 6161 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2405 -15.2405 -15.2348 -15.2348 -14.8861 -14.8861 -14.8795 -14.8795 -14.8339 -14.8339 -14.8286 -14.8286 -3.5877 -3.5877 -3.3440 -3.3440 -1.1241 -1.1241 -0.1468 -0.1468 2.9755 2.9755 3.9976 3.9976 4.9753 4.9753 5.2320 5.2320 5.7546 5.7546 6.1437 6.1437 6.5934 6.5934 7.6689 7.6689 7.9460 7.9460 8.1160 8.1160 8.5076 8.5076 8.7989 8.7989 k = 0.0000 0.3550 0.2395 ( 6160 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2407 -15.2407 -15.2350 -15.2350 -14.8863 -14.8863 -14.8798 -14.8798 -14.8339 -14.8339 -14.8286 -14.8286 -3.5816 -3.5816 -3.3056 -3.3056 -1.1896 -1.1896 -0.1436 -0.1436 2.9687 2.9687 3.9989 3.9989 4.9476 4.9476 5.2213 5.2213 5.7966 5.7966 6.1446 6.1446 6.6300 6.6300 7.6544 7.6544 7.9611 7.9611 8.0664 8.0664 8.4721 8.4721 8.7276 8.7276 k = 0.0000 0.3682 0.2395 ( 6149 PWs) bands (ev): -33.9572 -33.9572 -33.9560 -33.9560 -15.2408 -15.2408 -15.2351 -15.2351 -14.8865 -14.8865 -14.8800 -14.8800 -14.8339 -14.8339 -14.8286 -14.8286 -3.5773 -3.5773 -3.2689 -3.2689 -1.2487 -1.2487 -0.1413 -0.1413 2.9638 2.9638 4.0019 4.0019 4.9230 4.9230 5.2129 5.2129 5.8364 5.8364 6.1319 6.1319 6.6784 6.6784 7.6301 7.6301 7.9584 7.9584 8.0371 8.0371 8.4384 8.4384 8.6656 8.6656 k = 0.0000 0.3813 0.2395 ( 6149 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2409 -15.2409 -15.2351 -15.2351 -14.8866 -14.8866 -14.8801 -14.8801 -14.8339 -14.8339 -14.8285 -14.8285 -3.5748 -3.5748 -3.2347 -3.2347 -1.3006 -1.3006 -0.1401 -0.1401 2.9612 2.9612 4.0065 4.0065 4.9021 4.9021 5.2064 5.2064 5.8725 5.8725 6.1112 6.1112 6.7335 6.7335 7.5994 7.5994 7.9221 7.9221 8.0409 8.0409 8.4023 8.4023 8.6188 8.6188 k = 0.0000 0.3945 0.2395 ( 6150 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2410 -15.2410 -15.2352 -15.2352 -14.8868 -14.8868 -14.8802 -14.8802 -14.8339 -14.8339 -14.8285 -14.8285 -3.5742 -3.5742 -3.2036 -3.2036 -1.3444 -1.3444 -0.1401 -0.1401 2.9613 2.9613 4.0123 4.0123 4.8852 4.8852 5.2016 5.2016 5.9033 5.9033 6.0871 6.0871 6.7909 6.7909 7.5649 7.5649 7.8753 7.8753 8.0508 8.0508 8.3641 8.3641 8.5907 8.5907 k = 0.0000 0.4076 0.2395 ( 6160 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5757 -3.5757 -3.1764 -3.1764 -1.3795 -1.3795 -0.1412 -0.1412 2.9643 2.9643 4.0189 4.0189 4.8722 4.8722 5.1982 5.1982 5.9264 5.9264 6.0639 6.0639 6.8473 6.8473 7.5282 7.5282 7.8291 7.8291 8.0511 8.0511 8.3312 8.3312 8.5792 8.5792 k = 0.0000 0.4076 0.2395 ( 6160 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5757 -3.5757 -3.1764 -3.1764 -1.3795 -1.3795 -0.1412 -0.1412 2.9643 2.9643 4.0189 4.0189 4.8722 4.8722 5.1982 5.1982 5.9264 5.9264 6.0639 6.0639 6.8473 6.8473 7.5282 7.5282 7.8291 7.8291 8.0511 8.0511 8.3312 8.3312 8.5792 8.5792 k = 0.0000 0.4112 0.2272 ( 6154 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5844 -3.5844 -3.1552 -3.1552 -1.4004 -1.4004 -0.1428 -0.1428 2.9826 2.9826 4.0949 4.0949 4.8127 4.8127 5.1766 5.1766 5.9012 5.9012 6.0270 6.0270 6.8980 6.8980 7.4943 7.4943 7.7811 7.7811 8.0939 8.0939 8.3478 8.3478 8.5962 8.5962 k = 0.0000 0.4148 0.2149 ( 6159 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8871 -14.8871 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5925 -3.5925 -3.1351 -3.1351 -1.4204 -1.4204 -0.1447 -0.1447 3.0024 3.0024 4.1734 4.1734 4.7571 4.7571 5.1579 5.1579 5.8253 5.8253 6.0359 6.0359 6.9449 6.9449 7.4605 7.4605 7.7341 7.7341 8.1412 8.1412 8.3622 8.3622 8.6111 8.6111 k = 0.0000 0.4184 0.2026 ( 6162 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8871 -14.8871 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5999 -3.5999 -3.1163 -3.1163 -1.4388 -1.4388 -0.1468 -0.1468 3.0229 3.0229 4.2521 4.2521 4.7086 4.7086 5.1411 5.1411 5.7326 5.7326 6.0578 6.0578 6.9881 6.9881 7.4277 7.4277 7.6900 7.6900 8.1895 8.1895 8.3744 8.3744 8.6241 8.6241 k = 0.0000 0.4220 0.1903 ( 6165 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8872 -14.8872 -14.8803 -14.8803 -14.8339 -14.8339 -14.8285 -14.8285 -3.6064 -3.6064 -3.0996 -3.0996 -1.4554 -1.4554 -0.1489 -0.1489 3.0430 3.0430 4.3266 4.3266 4.6724 4.6724 5.1252 5.1252 5.6364 5.6364 6.0811 6.0811 7.0275 7.0275 7.3968 7.3968 7.6498 7.6498 8.2361 8.2361 8.3848 8.3848 8.6350 8.6350 k = 0.0000 0.4256 0.1780 ( 6164 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2353 -15.2353 -14.8872 -14.8872 -14.8803 -14.8803 -14.8339 -14.8339 -14.8285 -14.8285 -3.6119 -3.6119 -3.0852 -3.0852 -1.4697 -1.4697 -0.1508 -0.1508 3.0615 3.0615 4.3878 4.3878 4.6575 4.6575 5.1087 5.1087 5.5422 5.5422 6.1026 6.1026 7.0629 7.0629 7.3686 7.3686 7.6146 7.6146 8.2783 8.2783 8.3936 8.3936 8.6438 8.6438 k = 0.0000 0.4292 0.1656 ( 6166 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8872 -14.8872 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.6162 -3.6162 -3.0736 -3.0736 -1.4812 -1.4812 -0.1524 -0.1524 3.0775 3.0775 4.4236 4.4236 4.6748 4.6748 5.0896 5.0896 5.4557 5.4557 6.1208 6.1208 7.0937 7.0937 7.3437 7.3437 7.5854 7.5854 8.3134 8.3134 8.4013 8.4013 8.6505 8.6505 k = 0.0000 0.4329 0.1533 ( 6161 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8872 -14.8872 -14.8803 -14.8803 -14.8339 -14.8339 -14.8285 -14.8285 -3.6194 -3.6194 -3.0650 -3.0650 -1.4897 -1.4897 -0.1536 -0.1536 3.0898 3.0898 4.4342 4.4342 4.7206 4.7206 5.0655 5.0655 5.3845 5.3845 6.1346 6.1346 7.1187 7.1187 7.3234 7.3234 7.5633 7.5633 8.3391 8.3391 8.4081 8.4081 8.6552 8.6552 k = 0.0000 0.4365 0.1410 ( 6162 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8873 -14.8873 -14.8803 -14.8803 -14.8339 -14.8339 -14.8285 -14.8285 -3.6213 -3.6213 -3.0598 -3.0598 -1.4949 -1.4949 -0.1544 -0.1544 3.0975 3.0975 4.4338 4.4338 4.7715 4.7715 5.0381 5.0381 5.3376 5.3376 6.1432 6.1432 7.1357 7.1357 7.3095 7.3095 7.5494 7.5494 8.3541 8.3541 8.4134 8.4134 8.6579 8.6579 k = 0.0000 0.4401 0.1287 ( 6156 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8873 -14.8873 -14.8803 -14.8803 -14.8339 -14.8339 -14.8284 -14.8284 -3.6219 -3.6219 -3.0580 -3.0580 -1.4966 -1.4966 -0.1547 -0.1547 3.1002 3.1002 4.4327 4.4327 4.7955 4.7955 5.0234 5.0234 5.3213 5.3213 6.1461 6.1461 7.1419 7.1419 7.3044 7.3044 7.5447 7.5447 8.3590 8.3590 8.4155 8.4155 8.6588 8.6588 k = 0.0000 0.4401 0.1287 ( 6156 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8873 -14.8873 -14.8803 -14.8803 -14.8339 -14.8339 -14.8284 -14.8284 -3.6219 -3.6219 -3.0580 -3.0580 -1.4966 -1.4966 -0.1547 -0.1547 3.1002 3.1002 4.4327 4.4327 4.7955 4.7955 5.0234 5.0234 5.3213 5.3213 6.1461 6.1461 7.1419 7.1419 7.3044 7.3044 7.5447 7.5447 8.3590 8.3590 8.4155 8.4155 8.6588 8.6588 k = 0.0132 0.4401 0.1287 ( 6166 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2352 -15.2352 -14.8873 -14.8873 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.6206 -3.6206 -3.0567 -3.0567 -1.4959 -1.4959 -0.1553 -0.1553 3.1010 3.1010 4.4327 4.4327 4.7859 4.7859 5.0286 5.0286 5.3210 5.3210 6.1176 6.1176 7.0767 7.0767 7.3667 7.3667 7.5714 7.5714 8.3222 8.3222 8.4260 8.4260 8.6928 8.6928 k = 0.0263 0.4401 0.1287 ( 6166 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2413 -15.2413 -15.2353 -15.2353 -14.8872 -14.8872 -14.8803 -14.8803 -14.8341 -14.8341 -14.8287 -14.8287 -3.6168 -3.6168 -3.0528 -3.0528 -1.4935 -1.4935 -0.1572 -0.1572 3.1033 3.1033 4.4326 4.4326 4.7597 4.7597 5.0420 5.0420 5.3198 5.3198 6.0392 6.0392 6.9605 6.9605 7.4795 7.4795 7.6385 7.6385 8.2444 8.2444 8.4512 8.4512 8.7693 8.7693 k = 0.0395 0.4401 0.1287 ( 6170 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2414 -15.2414 -15.2353 -15.2353 -14.8871 -14.8871 -14.8802 -14.8802 -14.8344 -14.8344 -14.8289 -14.8289 -3.6103 -3.6103 -3.0462 -3.0462 -1.4896 -1.4896 -0.1605 -0.1605 3.1071 3.1071 4.4313 4.4313 4.7227 4.7227 5.0591 5.0591 5.3179 5.3179 5.9257 5.9257 6.8314 6.8314 7.6097 7.6097 7.7233 7.7233 8.1562 8.1562 8.4897 8.4897 8.8609 8.8609 k = 0.0526 0.4401 0.1287 ( 6164 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2414 -15.2414 -15.2354 -15.2354 -14.8870 -14.8870 -14.8802 -14.8802 -14.8347 -14.8347 -14.8293 -14.8293 -3.6013 -3.6013 -3.0370 -3.0370 -1.4841 -1.4841 -0.1651 -0.1651 3.1123 3.1123 4.4269 4.4269 4.6810 4.6810 5.0764 5.0764 5.3148 5.3148 5.7910 5.7910 6.6966 6.6966 7.7396 7.7396 7.8100 7.8100 8.0794 8.0794 8.5406 8.5406 8.9575 8.9575 k = 0.0658 0.4401 0.1287 ( 6166 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2415 -15.2415 -15.2356 -15.2356 -14.8869 -14.8869 -14.8801 -14.8801 -14.8352 -14.8352 -14.8298 -14.8298 -3.5897 -3.5897 -3.0251 -3.0251 -1.4772 -1.4772 -0.1712 -0.1712 3.1188 3.1188 4.4159 4.4159 4.6409 4.6409 5.0917 5.0917 5.3093 5.3093 5.6461 5.6461 6.5591 6.5591 7.7950 7.7950 7.9121 7.9121 8.0653 8.0653 8.6019 8.6020 9.0555 9.0555 k = 0.0789 0.4401 0.1287 ( 6168 PWs) bands (ev): -33.9570 -33.9570 -33.9558 -33.9558 -15.2416 -15.2416 -15.2357 -15.2357 -14.8868 -14.8868 -14.8800 -14.8800 -14.8357 -14.8357 -14.8304 -14.8304 -3.5755 -3.5755 -3.0107 -3.0107 -1.4688 -1.4688 -0.1789 -0.1789 3.1262 3.1262 4.3931 4.3931 4.6095 4.6095 5.1030 5.1030 5.2958 5.2958 5.5038 5.5038 6.4209 6.4209 7.7412 7.7412 8.0095 8.0095 8.1623 8.1623 8.6712 8.6712 9.1533 9.1533 k = 0.0921 0.4401 0.1287 ( 6162 PWs) bands (ev): -33.9570 -33.9570 -33.9558 -33.9558 -15.2416 -15.2416 -15.2358 -15.2358 -14.8866 -14.8866 -14.8799 -14.8799 -14.8363 -14.8363 -14.8311 -14.8311 -3.5588 -3.5588 -2.9937 -2.9937 -1.4591 -1.4591 -0.1884 -0.1884 3.1344 3.1344 4.3554 4.3554 4.5915 4.5915 5.1063 5.1063 5.2470 5.2470 5.3977 5.3977 6.2840 6.2840 7.6479 7.6479 8.0856 8.0856 8.3124 8.3124 8.7455 8.7455 9.2499 9.2499 k = 0.1053 0.4401 0.1287 ( 6156 PWs) bands (ev): -33.9569 -33.9569 -33.9557 -33.9557 -15.2417 -15.2417 -15.2360 -15.2360 -14.8864 -14.8864 -14.8798 -14.8798 -14.8370 -14.8370 -14.8318 -14.8318 -3.5395 -3.5395 -2.9741 -2.9741 -1.4480 -1.4480 -0.1999 -0.1999 3.1428 3.1428 4.3054 4.3054 4.5856 4.5856 5.0772 5.0772 5.1549 5.1549 5.3626 5.3626 6.1501 6.1501 7.5439 7.5439 8.1489 8.1489 8.4747 8.4747 8.8217 8.8217 9.3443 9.3443 k = 0.1184 0.4401 0.1287 ( 6158 PWs) bands (ev): -33.9569 -33.9569 -33.9557 -33.9557 -15.2418 -15.2418 -15.2362 -15.2362 -14.8862 -14.8862 -14.8797 -14.8797 -14.8378 -14.8378 -14.8327 -14.8327 -3.5177 -3.5177 -2.9520 -2.9520 -1.4357 -1.4357 -0.2134 -0.2134 3.1512 3.1512 4.2486 4.2486 4.5866 4.5866 4.9553 4.9553 5.1213 5.1213 5.3579 5.3579 6.0213 6.0213 7.4366 7.4366 8.2007 8.2007 8.6378 8.6378 8.8969 8.8969 9.4355 9.4355 k = 0.1316 0.4401 0.1287 ( 6166 PWs) bands (ev): -33.9568 -33.9568 -33.9557 -33.9557 -15.2420 -15.2420 -15.2364 -15.2364 -14.8859 -14.8859 -14.8795 -14.8795 -14.8386 -14.8386 -14.8336 -14.8336 -3.4933 -3.4933 -2.9273 -2.9273 -1.4223 -1.4223 -0.2293 -0.2293 3.1588 3.1588 4.1897 4.1897 4.5860 4.5860 4.8131 4.8131 5.0988 5.0988 5.3626 5.3626 5.9004 5.9004 7.3288 7.3288 8.2409 8.2409 8.7965 8.7965 8.9684 8.9684 9.5222 9.5222 k = 0.1447 0.4401 0.1287 ( 6174 PWs) bands (ev): -33.9567 -33.9567 -33.9556 -33.9556 -15.2421 -15.2421 -15.2367 -15.2367 -14.8857 -14.8857 -14.8794 -14.8794 -14.8395 -14.8395 -14.8346 -14.8346 -3.4664 -3.4664 -2.9002 -2.9002 -1.4079 -1.4079 -0.2477 -0.2477 3.1650 3.1650 4.1321 4.1321 4.5548 4.5548 4.7025 4.7025 5.0658 5.0658 5.3720 5.3720 5.7904 5.7904 7.2218 7.2218 8.2700 8.2700 8.9455 8.9455 9.0351 9.0351 9.6029 9.6029 k = 0.1579 0.4401 0.1287 ( 6172 PWs) bands (ev): -33.9566 -33.9566 -33.9555 -33.9555 -15.2423 -15.2423 -15.2370 -15.2370 -14.8854 -14.8854 -14.8793 -14.8793 -14.8405 -14.8405 -14.8357 -14.8357 -3.4370 -3.4370 -2.8706 -2.8706 -1.3927 -1.3927 -0.2689 -0.2689 3.1690 3.1690 4.0784 4.0784 4.4463 4.4463 4.6724 4.6724 5.0185 5.0185 5.3839 5.3839 5.6947 5.6947 7.1168 7.1168 8.2886 8.2886 9.0623 9.0623 9.1138 9.1138 9.6759 9.6759 k = 0.1711 0.4401 0.1287 ( 6172 PWs) bands (ev): -33.9565 -33.9565 -33.9555 -33.9555 -15.2424 -15.2424 -15.2372 -15.2372 -14.8851 -14.8851 -14.8791 -14.8791 -14.8415 -14.8415 -14.8368 -14.8368 -3.4051 -3.4051 -2.8386 -2.8386 -1.3767 -1.3767 -0.2931 -0.2931 3.1699 3.1699 4.0299 4.0299 4.3073 4.3073 4.6761 4.6761 4.9568 4.9568 5.3955 5.3955 5.6166 5.6166 7.0145 7.0145 8.2981 8.2981 9.1166 9.1166 9.2297 9.2297 9.7396 9.7396 k = 0.1842 0.4401 0.1287 ( 6174 PWs) bands (ev): -33.9565 -33.9565 -33.9554 -33.9554 -15.2426 -15.2426 -15.2376 -15.2376 -14.8848 -14.8848 -14.8790 -14.8790 -14.8425 -14.8425 -14.8379 -14.8379 -3.3707 -3.3707 -2.8042 -2.8042 -1.3602 -1.3602 -0.3206 -0.3206 3.1670 3.1670 3.9859 3.9859 4.1687 4.1687 4.6802 4.6802 4.8872 4.8872 5.4019 5.4019 5.5595 5.5595 6.9156 6.9156 8.2997 8.2997 9.1474 9.1474 9.3405 9.3405 9.7926 9.7926 k = 0.1974 0.4401 0.1287 ( 6160 PWs) bands (ev): -33.9564 -33.9564 -33.9553 -33.9553 -15.2428 -15.2428 -15.2378 -15.2378 -14.8845 -14.8845 -14.8788 -14.8788 -14.8436 -14.8436 -14.8391 -14.8391 -3.3339 -3.3339 -2.7674 -2.7674 -1.3433 -1.3433 -0.3514 -0.3514 3.1596 3.1596 3.9350 3.9350 4.0489 4.0489 4.6611 4.6611 4.8304 4.8304 5.3939 5.3939 5.5295 5.5295 6.8208 6.8208 8.2951 8.2951 9.1629 9.1629 9.4365 9.4365 9.8338 9.8338 k = 0.2105 0.4401 0.1287 ( 6152 PWs) bands (ev): -33.9563 -33.9563 -33.9553 -33.9553 -15.2429 -15.2429 -15.2382 -15.2382 -14.8842 -14.8842 -14.8786 -14.8786 -14.8446 -14.8446 -14.8403 -14.8403 -3.2946 -3.2946 -2.7284 -2.7284 -1.3263 -1.3263 -0.3859 -0.3859 3.1473 3.1473 3.8428 3.8428 3.9854 3.9854 4.5942 4.5942 4.8130 4.8130 5.3669 5.3669 5.5270 5.5270 6.7307 6.7307 8.2859 8.2859 9.1645 9.1645 9.5176 9.5176 9.8624 9.8624 k = 0.2237 0.4401 0.1287 ( 6148 PWs) bands (ev): -33.9562 -33.9562 -33.9552 -33.9552 -15.2431 -15.2431 -15.2385 -15.2385 -14.8839 -14.8839 -14.8785 -14.8785 -14.8457 -14.8457 -14.8415 -14.8415 -3.2528 -3.2528 -2.6871 -2.6871 -1.3095 -1.3095 -0.4241 -0.4241 3.1298 3.1298 3.7234 3.7234 3.9658 3.9658 4.4942 4.4942 4.8227 4.8227 5.3288 5.3288 5.5407 5.5407 6.6457 6.6457 8.2737 8.2737 9.1535 9.1535 9.5859 9.5859 9.8780 9.8780 k = 0.2368 0.4401 0.1287 ( 6144 PWs) bands (ev): -33.9561 -33.9561 -33.9551 -33.9551 -15.2433 -15.2433 -15.2388 -15.2388 -14.8835 -14.8835 -14.8783 -14.8783 -14.8468 -14.8468 -14.8428 -14.8428 -3.2087 -3.2087 -2.6437 -2.6437 -1.2930 -1.2930 -0.4661 -0.4661 3.1070 3.1070 3.6043 3.6043 3.9637 3.9637 4.3813 4.3813 4.8411 4.8411 5.2862 5.2862 5.5615 5.5615 6.5662 6.5662 8.2598 8.2598 9.1317 9.1317 9.6441 9.6441 9.8806 9.8806 k = 0.2500 0.4401 0.1287 ( 6146 PWs) bands (ev): -33.9559 -33.9559 -33.9551 -33.9551 -15.2435 -15.2435 -15.2392 -15.2392 -14.8832 -14.8832 -14.8782 -14.8782 -14.8479 -14.8479 -14.8440 -14.8440 -3.1622 -3.1622 -2.5982 -2.5982 -1.2772 -1.2772 -0.5120 -0.5120 3.0778 3.0778 3.4940 3.4940 3.9719 3.9719 4.2639 4.2639 4.8608 4.8608 5.2420 5.2420 5.5857 5.5857 6.4920 6.4920 8.2458 8.2458 9.1007 9.1007 9.6942 9.6942 9.8711 9.8711 k = 0.2632 0.4401 0.1287 ( 6144 PWs) bands (ev): -33.9558 -33.9558 -33.9550 -33.9550 -15.2437 -15.2437 -15.2396 -15.2396 -14.8829 -14.8829 -14.8781 -14.8781 -14.8490 -14.8490 -14.8453 -14.8453 -3.1133 -3.1133 -2.5508 -2.5508 -1.2624 -1.2624 -0.5618 -0.5618 3.0402 3.0402 3.3978 3.3978 3.9854 3.9854 4.1479 4.1479 4.8768 4.8768 5.1989 5.1989 5.6117 5.6117 6.4232 6.4232 8.2329 8.2329 9.0626 9.0626 9.7371 9.7371 9.8511 9.8511 k = 0.2763 0.4401 0.1287 ( 6144 PWs) bands (ev): -33.9557 -33.9557 -33.9549 -33.9549 -15.2439 -15.2439 -15.2400 -15.2400 -14.8826 -14.8826 -14.8779 -14.8779 -14.8501 -14.8501 -14.8465 -14.8465 -3.0621 -3.0621 -2.5014 -2.5014 -1.2490 -1.2490 -0.6154 -0.6154 2.9913 2.9913 3.3206 3.3206 3.9766 3.9766 4.0610 4.0610 4.8832 4.8832 5.1619 5.1619 5.6386 5.6386 6.3594 6.3594 8.2220 8.2220 9.0190 9.0190 9.7692 9.7692 9.8268 9.8268 k = 0.2895 0.4401 0.1287 ( 6140 PWs) bands (ev): -33.9556 -33.9556 -33.9549 -33.9549 -15.2440 -15.2440 -15.2403 -15.2403 -14.8822 -14.8822 -14.8778 -14.8778 -14.8511 -14.8511 -14.8477 -14.8477 -3.0087 -3.0087 -2.4502 -2.4502 -1.2373 -1.2373 -0.6728 -0.6728 2.9300 2.9300 3.2652 3.2652 3.8831 3.8831 4.0656 4.0656 4.8726 4.8726 5.1380 5.1380 5.6660 5.6660 6.3002 6.3002 8.2140 8.2140 8.9715 8.9715 9.7624 9.7624 9.8280 9.8280 k = 0.3026 0.4401 0.1287 ( 6138 PWs) bands (ev): -33.9555 -33.9555 -33.9548 -33.9548 -15.2442 -15.2442 -15.2407 -15.2407 -14.8819 -14.8819 -14.8778 -14.8778 -14.8521 -14.8521 -14.8489 -14.8489 -2.9530 -2.9530 -2.3973 -2.3973 -1.2277 -1.2277 -0.7337 -0.7337 2.8594 2.8594 3.2300 3.2300 3.7685 3.7685 4.0979 4.0979 4.8405 4.8405 5.1315 5.1315 5.6933 5.6933 6.2449 6.2449 8.2095 8.2095 8.9215 8.9215 9.7215 9.7215 9.8518 9.8518 k = 0.3158 0.4401 0.1287 ( 6134 PWs) bands (ev): -33.9554 -33.9554 -33.9548 -33.9548 -15.2444 -15.2444 -15.2411 -15.2411 -14.8816 -14.8816 -14.8777 -14.8777 -14.8531 -14.8531 -14.8500 -14.8500 -2.8951 -2.8951 -2.3429 -2.3429 -1.2207 -1.2207 -0.7980 -0.7980 2.7848 2.7848 3.2107 3.2107 3.6531 3.6531 4.1370 4.1370 4.7900 4.7900 5.1393 5.1393 5.7202 5.7202 6.1932 6.1932 8.2089 8.2089 8.8700 8.8700 9.6719 9.6719 9.8741 9.8741 k = 0.3289 0.4401 0.1287 ( 6134 PWs) bands (ev): -33.9553 -33.9553 -33.9547 -33.9547 -15.2446 -15.2446 -15.2415 -15.2415 -14.8813 -14.8813 -14.8776 -14.8776 -14.8540 -14.8540 -14.8511 -14.8511 -2.8350 -2.8350 -2.2870 -2.2870 -1.2165 -1.2165 -0.8654 -0.8654 2.7111 2.7111 3.2034 3.2034 3.5396 3.5396 4.1798 4.1798 4.7278 4.7278 5.1552 5.1552 5.7463 5.7463 6.1448 6.1448 8.2125 8.2125 8.8183 8.8183 9.6190 9.6190 9.8903 9.8903 k = 0.3421 0.4401 0.1287 ( 6138 PWs) bands (ev): -33.9552 -33.9552 -33.9546 -33.9546 -15.2447 -15.2447 -15.2419 -15.2419 -14.8810 -14.8810 -14.8776 -14.8776 -14.8548 -14.8548 -14.8521 -14.8521 -2.7729 -2.7729 -2.2299 -2.2299 -1.2156 -1.2156 -0.9357 -0.9357 2.6414 2.6414 3.2053 3.2053 3.4292 3.4292 4.2244 4.2244 4.6599 4.6599 5.1741 5.1741 5.7712 5.7712 6.0997 6.0997 8.2201 8.2201 8.7672 8.7672 9.5652 9.5652 9.8984 9.8984 k = 0.3553 0.4401 0.1287 ( 6140 PWs) bands (ev): -33.9551 -33.9551 -33.9546 -33.9546 -15.2449 -15.2449 -15.2422 -15.2422 -14.8808 -14.8808 -14.8776 -14.8776 -14.8556 -14.8556 -14.8531 -14.8531 -2.7087 -2.7087 -2.1718 -2.1718 -1.2184 -1.2184 -1.0085 -1.0085 2.5780 2.5780 3.2143 3.2143 3.3229 3.3229 4.2678 4.2678 4.5913 4.5913 5.1925 5.1925 5.7944 5.7944 6.0581 6.0581 8.2313 8.2313 8.7175 8.7175 9.5125 9.5125 9.8971 9.8971 k = 0.3684 0.4401 0.1287 ( 6138 PWs) bands (ev): -33.9551 -33.9551 -33.9546 -33.9546 -15.2450 -15.2450 -15.2426 -15.2426 -14.8805 -14.8805 -14.8776 -14.8776 -14.8563 -14.8563 -14.8540 -14.8540 -2.6425 -2.6425 -2.1127 -2.1127 -1.2252 -1.2252 -1.0836 -1.0836 2.5221 2.5221 3.2070 3.2070 3.2438 3.2438 4.3028 4.3028 4.5309 4.5309 5.2079 5.2079 5.8156 5.8156 6.0207 6.0207 8.2458 8.2458 8.6701 8.6701 9.4628 9.4628 9.8851 9.8851 k = 0.3816 0.4401 0.1287 ( 6126 PWs) bands (ev): -33.9550 -33.9550 -33.9545 -33.9545 -15.2451 -15.2451 -15.2429 -15.2429 -14.8802 -14.8802 -14.8776 -14.8776 -14.8569 -14.8569 -14.8549 -14.8549 -2.5744 -2.5744 -2.0530 -2.0530 -1.2362 -1.2362 -1.1606 -1.1606 2.4746 2.4746 3.1153 3.1153 3.2595 3.2595 4.3095 4.3095 4.4993 4.4993 5.2184 5.2184 5.8341 5.8341 5.9885 5.9885 8.2627 8.2627 8.6255 8.6255 9.4178 9.4178 9.8624 9.8624 k = 0.3947 0.4401 0.1287 ( 6118 PWs) bands (ev): -33.9549 -33.9549 -33.9545 -33.9545 -15.2452 -15.2452 -15.2432 -15.2432 -14.8800 -14.8800 -14.8776 -14.8776 -14.8575 -14.8575 -14.8556 -14.8556 -2.5045 -2.5045 -1.9929 -1.9929 -1.2519 -1.2519 -1.2391 -1.2391 2.4362 2.4362 3.0211 3.0211 3.2881 3.2881 4.2708 4.2708 4.5143 4.5143 5.2221 5.2221 5.8494 5.8494 5.9626 5.9626 8.2811 8.2811 8.5844 8.5844 9.3791 9.3791 9.8296 9.8296 k = 0.4079 0.4401 0.1287 ( 6118 PWs) bands (ev): -33.9548 -33.9548 -33.9545 -33.9545 -15.2452 -15.2452 -15.2435 -15.2435 -14.8798 -14.8798 -14.8777 -14.8777 -14.8579 -14.8579 -14.8563 -14.8563 -2.4328 -2.4328 -1.9327 -1.9327 -1.3192 -1.3192 -1.2718 -1.2718 2.4073 2.4073 2.9314 2.9314 3.3228 3.3228 4.2060 4.2060 4.5569 4.5569 5.2176 5.2176 5.8610 5.8610 5.9439 5.9439 8.3000 8.3000 8.5471 8.5471 9.3483 9.3483 9.7882 9.7882 k = 0.4211 0.4401 0.1287 ( 6118 PWs) bands (ev): -33.9547 -33.9547 -33.9544 -33.9544 -15.2453 -15.2453 -15.2438 -15.2438 -14.8796 -14.8796 -14.8778 -14.8778 -14.8583 -14.8583 -14.8570 -14.8570 -2.3595 -2.3595 -1.8725 -1.8725 -1.4001 -1.4001 -1.2966 -1.2966 2.3880 2.3880 2.8467 2.8467 3.3627 3.3627 4.1326 4.1326 4.6099 4.6099 5.2040 5.2040 5.8690 5.8690 5.9328 5.9328 8.3184 8.3184 8.5139 8.5139 9.3268 9.3268 9.7401 9.7401 k = 0.4342 0.4401 0.1287 ( 6120 PWs) bands (ev): -33.9547 -33.9547 -33.9544 -33.9544 -15.2453 -15.2453 -15.2441 -15.2441 -14.8794 -14.8794 -14.8779 -14.8779 -14.8587 -14.8587 -14.8575 -14.8575 -2.2847 -2.2847 -1.8129 -1.8129 -1.4817 -1.4817 -1.3260 -1.3260 2.3784 2.3784 2.7676 2.7676 3.4076 3.4076 4.0568 4.0568 4.6670 4.6670 5.1813 5.1813 5.8745 5.8745 5.9274 5.9274 8.3354 8.3354 8.4850 8.4850 9.3157 9.3157 9.6872 9.6872 k = 0.4474 0.4401 0.1287 ( 6118 PWs) bands (ev): -33.9546 -33.9546 -33.9544 -33.9544 -15.2453 -15.2453 -15.2443 -15.2443 -14.8792 -14.8792 -14.8780 -14.8780 -14.8589 -14.8589 -14.8580 -14.8580 -2.2084 -2.2084 -1.7541 -1.7541 -1.5637 -1.5637 -1.3598 -1.3598 2.3785 2.3785 2.6946 2.6946 3.4570 3.4570 3.9809 3.9809 4.7262 4.7262 5.1499 5.1499 5.8797 5.8797 5.9249 5.9249 8.3505 8.3505 8.4604 8.4604 9.3157 9.3157 9.6316 9.6316 k = 0.4605 0.4401 0.1287 ( 6124 PWs) bands (ev): -33.9546 -33.9546 -33.9544 -33.9544 -15.2453 -15.2453 -15.2446 -15.2446 -14.8790 -14.8790 -14.8781 -14.8781 -14.8591 -14.8591 -14.8584 -14.8584 -2.1308 -2.1308 -1.6965 -1.6965 -1.6459 -1.6459 -1.3979 -1.3979 2.3881 2.3881 2.6280 2.6280 3.5108 3.5108 3.9061 3.9061 4.7860 4.7860 5.1108 5.1108 5.8858 5.8858 5.9227 5.9227 8.3636 8.3636 8.4398 8.4398 9.3270 9.3270 9.5752 9.5752 k = 0.4737 0.4401 0.1287 ( 6134 PWs) bands (ev): -33.9545 -33.9545 -33.9544 -33.9544 -15.2453 -15.2453 -15.2448 -15.2448 -14.8789 -14.8789 -14.8783 -14.8783 -14.8592 -14.8592 -14.8587 -14.8587 -2.0520 -2.0520 -1.7283 -1.7283 -1.6402 -1.6402 -1.4399 -1.4399 2.4070 2.4070 2.5683 2.5683 3.5685 3.5685 3.8332 3.8332 4.8456 4.8456 5.0655 5.0655 5.8930 5.8930 5.9194 5.9194 8.3752 8.3752 8.4227 8.4227 9.3490 9.3490 9.5202 9.5202 k = 0.4868 0.4401 0.1287 ( 6134 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2452 -15.2452 -15.2449 -15.2449 -14.8787 -14.8787 -14.8784 -14.8784 -14.8592 -14.8592 -14.8589 -14.8589 -1.9722 -1.9722 -1.8101 -1.8101 -1.5861 -1.5861 -1.4856 -1.4856 2.4349 2.4349 2.5159 2.5159 3.6299 3.6299 3.7626 3.7626 4.9042 4.9042 5.0152 5.0152 5.9007 5.9007 5.9145 5.9145 8.3858 8.3858 8.4086 8.4086 9.3809 9.3809 9.4682 9.4682 k = 0.5000 0.4401 0.1287 ( 6132 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2451 -15.2451 -15.2451 -15.2451 -14.8786 -14.8786 -14.8786 -14.8786 -14.8591 -14.8591 -14.8591 -14.8591 -1.8915 -1.8915 -1.8915 -1.8915 -1.5344 -1.5344 -1.5344 -1.5344 2.4713 2.4713 2.4713 2.4713 3.6947 3.6947 3.6947 3.6947 4.9611 4.9611 4.9611 4.9611 5.9081 5.9081 5.9081 5.9081 8.3967 8.3967 8.3967 8.3967 9.4212 9.4212 9.4212 9.4212 k = 0.5000 0.4401 0.1287 ( 6132 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2451 -15.2451 -15.2451 -15.2451 -14.8786 -14.8786 -14.8786 -14.8786 -14.8591 -14.8591 -14.8591 -14.8591 -1.8915 -1.8915 -1.8915 -1.8915 -1.5344 -1.5344 -1.5344 -1.5344 2.4713 2.4713 2.4713 2.4713 3.6947 3.6947 3.6947 3.6947 4.9611 4.9611 4.9611 4.9611 5.9081 5.9081 5.9081 5.9081 8.3967 8.3967 8.3967 8.3967 9.4212 9.4212 9.4212 9.4212 k = 0.5000 0.4437 0.1164 ( 6130 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2451 -15.2451 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8591 -14.8591 -1.8912 -1.8912 -1.8912 -1.8912 -1.5350 -1.5350 -1.5350 -1.5350 2.4719 2.4719 2.4725 2.4725 3.6937 3.6937 3.6982 3.6982 4.9561 4.9561 4.9625 4.9625 5.9052 5.9052 5.9064 5.9064 8.3886 8.3886 8.4019 8.4019 9.4254 9.4254 9.4359 9.4359 k = 0.5000 0.4473 0.1040 ( 6128 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8591 -14.8591 -1.8903 -1.8903 -1.8902 -1.8902 -1.5367 -1.5367 -1.5367 -1.5367 2.4743 2.4743 2.4754 2.4754 3.6953 3.6953 3.7043 3.7043 4.9478 4.9478 4.9606 4.9606 5.8977 5.8977 5.9001 5.9001 8.3788 8.3788 8.4043 8.4043 9.4485 9.4485 9.4685 9.4685 k = 0.5000 0.4509 0.0917 ( 6126 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8888 -1.8888 -1.8887 -1.8887 -1.5395 -1.5395 -1.5394 -1.5394 2.4784 2.4784 2.4800 2.4800 3.6994 3.6994 3.7128 3.7128 4.9362 4.9362 4.9554 4.9554 5.8859 5.8859 5.8891 5.8891 8.3690 8.3690 8.4049 8.4049 9.4888 9.4888 9.5169 9.5169 k = 0.5000 0.4545 0.0794 ( 6122 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8868 -1.8868 -1.8866 -1.8866 -1.5433 -1.5433 -1.5432 -1.5432 2.4842 2.4842 2.4862 2.4862 3.7058 3.7058 3.7236 3.7236 4.9218 4.9218 4.9473 4.9473 5.8700 5.8700 5.8736 5.8736 8.3612 8.3612 8.4053 8.4053 9.5439 9.5439 9.5784 9.5784 k = 0.5000 0.4581 0.0671 ( 6122 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8843 -1.8843 -1.8840 -1.8840 -1.5480 -1.5480 -1.5479 -1.5479 2.4916 2.4916 2.4939 2.4939 3.7144 3.7144 3.7363 3.7363 4.9049 4.9049 4.9366 4.9366 5.8503 5.8503 5.8538 5.8538 8.3572 8.3572 8.4073 8.4073 9.6107 9.6107 9.6501 9.6501 k = 0.5000 0.4617 0.0548 ( 6118 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8813 -1.8813 -1.8811 -1.8811 -1.5535 -1.5535 -1.5534 -1.5534 2.5004 2.5004 2.5030 2.5030 3.7248 3.7248 3.7506 3.7506 4.8861 4.8861 4.9238 4.9238 5.8272 5.8272 5.8301 5.8301 8.3582 8.3582 8.4124 8.4124 9.6860 9.6860 9.7292 9.7292 k = 0.5000 0.4653 0.0425 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8780 -1.8780 -1.8778 -1.8778 -1.5597 -1.5597 -1.5596 -1.5596 2.5107 2.5107 2.5133 2.5133 3.7369 3.7369 3.7662 3.7662 4.8660 4.8660 4.9095 4.9095 5.8013 5.8013 5.8031 5.8031 8.3652 8.3652 8.4218 8.4218 9.7666 9.7666 9.8126 9.8126 k = 0.5000 0.4689 0.0301 ( 6114 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8784 -14.8784 -14.8591 -14.8591 -14.8590 -14.8590 -1.8745 -1.8745 -1.8742 -1.8742 -1.5664 -1.5664 -1.5663 -1.5663 2.5222 2.5222 2.5247 2.5247 3.7501 3.7501 3.7824 3.7824 4.8453 4.8453 4.8941 4.8941 5.7732 5.7732 5.7735 5.7735 8.3785 8.3785 8.4361 8.4361 9.8491 9.8491 9.8975 9.8975 k = 0.5000 0.4725 0.0178 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8785 -14.8785 -14.8784 -14.8784 -14.8591 -14.8591 -14.8590 -14.8590 -1.8710 -1.8710 -1.8706 -1.8706 -1.5734 -1.5734 -1.5733 -1.5733 2.5348 2.5348 2.5370 2.5370 3.7640 3.7640 3.7987 3.7987 4.8248 4.8248 4.8782 4.8782 5.7424 5.7424 5.7438 5.7438 8.3980 8.3980 8.4554 8.4554 9.9299 9.9299 9.9806 9.9806 k = 0.5000 0.4725 0.0178 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8785 -14.8785 -14.8784 -14.8784 -14.8591 -14.8591 -14.8590 -14.8590 -1.8710 -1.8710 -1.8706 -1.8706 -1.5734 -1.5734 -1.5733 -1.5733 2.5348 2.5348 2.5370 2.5370 3.7640 3.7640 3.7987 3.7987 4.8248 4.8248 4.8782 4.8782 5.7424 5.7424 5.7438 5.7438 8.3980 8.3980 8.4554 8.4554 9.9299 9.9299 9.9806 9.9806 k = 0.5000 0.4692 0.0050 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8785 -14.8785 -14.8784 -14.8784 -14.8591 -14.8591 -14.8589 -14.8589 -1.8675 -1.8675 -1.8672 -1.8672 -1.5763 -1.5763 -1.5763 -1.5763 2.5395 2.5395 2.5423 2.5423 3.7727 3.7727 3.8089 3.8089 4.8023 4.8023 4.8573 4.8573 5.7190 5.7190 5.7221 5.7221 8.4231 8.4231 8.4790 8.4790 9.9960 9.9960 10.0496 10.0496 k = 0.5000 0.4660-0.0079 ( 6106 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8784 -14.8784 -14.8591 -14.8591 -14.8589 -14.8589 -1.8643 -1.8643 -1.8640 -1.8640 -1.5791 -1.5791 -1.5791 -1.5791 2.5448 2.5448 2.5480 2.5480 3.7810 3.7810 3.8178 3.8178 4.7823 4.7823 4.8375 4.8375 5.6950 5.6950 5.6996 5.6996 8.4535 8.4535 8.5069 8.5069 10.0519 10.0519 10.1082 10.1082 k = 0.5000 0.4627-0.0208 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8589 -14.8589 -1.8614 -1.8614 -1.8611 -1.8611 -1.5818 -1.5818 -1.5817 -1.5817 2.5504 2.5504 2.5537 2.5537 3.7888 3.7888 3.8249 3.8249 4.7657 4.7657 4.8194 4.8194 5.6709 5.6709 5.6766 5.6766 8.4880 8.4880 8.5381 8.5381 10.0937 10.0937 10.1518 10.1518 k = 0.5000 0.4595-0.0336 ( 6120 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8588 -1.8588 -1.8586 -1.8586 -1.5841 -1.5841 -1.5841 -1.5841 2.5561 2.5561 2.5593 2.5593 3.7961 3.7961 3.8303 3.8303 4.7526 4.7526 4.8032 4.8032 5.6476 5.6476 5.6540 5.6540 8.5253 8.5253 8.5711 8.5711 10.1189 10.1189 10.1763 10.1763 k = 0.5000 0.4563-0.0465 ( 6120 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8565 -1.8565 -1.8563 -1.8563 -1.5862 -1.5862 -1.5862 -1.5862 2.5615 2.5615 2.5645 2.5645 3.8028 3.8028 3.8337 3.8337 4.7432 4.7432 4.7889 4.7889 5.6260 5.6260 5.6326 5.6326 8.5635 8.5635 8.6041 8.6041 10.1283 10.1283 10.1813 10.1813 k = 0.5000 0.4530-0.0594 ( 6124 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8785 -14.8785 -14.8591 -14.8591 -14.8590 -14.8590 -1.8546 -1.8546 -1.8545 -1.8545 -1.5880 -1.5880 -1.5880 -1.5880 2.5664 2.5664 2.5691 2.5691 3.8089 3.8089 3.8353 3.8353 4.7375 4.7375 4.7765 4.7765 5.6069 5.6069 5.6131 5.6131 8.6006 8.6006 8.6350 8.6350 10.1256 10.1256 10.1709 10.1709 k = 0.5000 0.4498-0.0723 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8786 -14.8786 -14.8590 -14.8590 -14.8590 -14.8590 -1.8531 -1.8531 -1.8530 -1.8530 -1.5894 -1.5894 -1.5894 -1.5894 2.5706 2.5706 2.5727 2.5727 3.8144 3.8144 3.8353 3.8353 4.7350 4.7350 4.7659 4.7659 5.5913 5.5913 5.5965 5.5965 8.6342 8.6342 8.6613 8.6613 10.1167 10.1167 10.1520 10.1520 k = 0.5000 0.4465-0.0851 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8786 -14.8786 -14.8590 -14.8590 -14.8590 -14.8590 -1.8520 -1.8520 -1.8520 -1.8520 -1.5905 -1.5905 -1.5904 -1.5904 2.5739 2.5739 2.5754 2.5754 3.8195 3.8195 3.8339 3.8339 4.7354 4.7354 4.7568 4.7568 5.5799 5.5799 5.5837 5.5837 8.6619 8.6619 8.6807 8.6807 10.1074 10.1074 10.1315 10.1315 k = 0.5000 0.4433-0.0980 ( 6114 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8786 -14.8786 -14.8590 -14.8590 -14.8590 -14.8590 -1.8514 -1.8514 -1.8513 -1.8513 -1.5911 -1.5911 -1.5911 -1.5911 2.5761 2.5761 2.5769 2.5769 3.8240 3.8240 3.8314 3.8314 4.7382 4.7382 4.7491 4.7491 5.5732 5.5732 5.5752 5.5752 8.6816 8.6816 8.6912 8.6912 10.1023 10.1023 10.1145 10.1145 k = 0.5000 0.4401-0.1109 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8786 -14.8786 -14.8590 -14.8590 -14.8590 -14.8590 -1.8511 -1.8511 -1.8511 -1.8511 -1.5913 -1.5913 -1.5913 -1.5913 2.5771 2.5771 2.5771 2.5771 3.8280 3.8280 3.8280 3.8280 4.7429 4.7429 4.7429 4.7429 5.5716 5.5716 5.5716 5.5716 8.6916 8.6916 8.6916 8.6916 10.1044 10.1044 10.1044 10.1044 k = 0.5000 0.4401-0.1109 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8786 -14.8786 -14.8786 -14.8786 -14.8590 -14.8590 -14.8590 -14.8590 -1.8511 -1.8511 -1.8511 -1.8511 -1.5913 -1.5913 -1.5913 -1.5913 2.5771 2.5771 2.5771 2.5771 3.8280 3.8280 3.8280 3.8280 4.7429 4.7429 4.7429 4.7429 5.5716 5.5716 5.5716 5.5716 8.6916 8.6916 8.6916 8.6916 10.1044 10.1044 10.1044 10.1044 k = 0.4868 0.4401-0.1109 ( 6110 PWs) bands (ev): -33.9545 -33.9545 -33.9544 -33.9544 -15.2451 -15.2451 -15.2449 -15.2449 -14.8787 -14.8787 -14.8785 -14.8785 -14.8591 -14.8591 -14.8588 -14.8588 -1.9181 -1.9181 -1.8026 -1.8026 -1.6211 -1.6211 -1.5445 -1.5445 2.5267 2.5267 2.6349 2.6349 3.7763 3.7763 3.8819 3.8819 4.6819 4.6819 4.7996 4.7996 5.5241 5.5241 5.6245 5.6245 8.6707 8.6707 8.7137 8.7137 10.0359 10.0359 10.1724 10.1724 k = 0.4737 0.4401-0.1109 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9544 -33.9544 -15.2452 -15.2452 -15.2447 -15.2447 -14.8789 -14.8789 -14.8784 -14.8784 -14.8591 -14.8591 -14.8586 -14.8586 -1.9904 -1.9904 -1.8004 -1.8004 -1.6059 -1.6059 -1.4941 -1.4941 2.4843 2.4843 2.6997 2.6997 3.7274 3.7274 3.9369 3.9369 4.6184 4.6184 4.8502 4.8502 5.4844 5.4844 5.6810 5.6810 8.6513 8.6513 8.7367 8.7367 9.9681 9.9681 10.2383 10.2383 k = 0.4605 0.4401-0.1109 ( 6118 PWs) bands (ev): -33.9546 -33.9546 -33.9544 -33.9544 -15.2453 -15.2453 -15.2446 -15.2446 -14.8790 -14.8790 -14.8782 -14.8782 -14.8591 -14.8591 -14.8582 -14.8582 -2.0643 -2.0643 -1.8396 -1.8396 -1.5503 -1.5503 -1.4442 -1.4442 2.4502 2.4502 2.7710 2.7710 3.6821 3.6821 3.9917 3.9917 4.5537 4.5537 4.8925 4.8925 5.4552 5.4552 5.7397 5.7397 8.6336 8.6336 8.7601 8.7601 9.9021 9.9021 10.2991 10.2991 k = 0.4474 0.4401-0.1109 ( 6114 PWs) bands (ev): -33.9546 -33.9546 -33.9544 -33.9544 -15.2453 -15.2453 -15.2443 -15.2443 -14.8792 -14.8792 -14.8781 -14.8781 -14.8589 -14.8589 -14.8578 -14.8578 -2.1383 -2.1383 -1.8941 -1.8941 -1.4804 -1.4804 -1.3964 -1.3964 2.4249 2.4249 2.8482 2.8482 3.6408 3.6408 4.0444 4.0444 4.4892 4.4892 4.9245 4.9245 5.4395 5.4395 5.7996 5.7996 8.6178 8.6178 8.7838 8.7838 9.8386 9.8386 10.3451 10.3451 k = 0.4342 0.4401-0.1109 ( 6122 PWs) bands (ev): -33.9547 -33.9547 -33.9544 -33.9544 -15.2453 -15.2453 -15.2441 -15.2441 -14.8793 -14.8793 -14.8780 -14.8780 -14.8587 -14.8587 -14.8574 -14.8574 -2.2117 -2.2117 -1.9540 -1.9540 -1.4060 -1.4060 -1.3516 -1.3516 2.4089 2.4089 2.9308 2.9308 3.6041 3.6041 4.0920 4.0920 4.4270 4.4270 4.9458 4.9458 5.4390 5.4390 5.8597 5.8597 8.6042 8.6042 8.8071 8.8071 9.7786 9.7786 10.3499 10.3499 k = 0.4211 0.4401-0.1109 ( 6120 PWs) bands (ev): -33.9547 -33.9547 -33.9544 -33.9544 -15.2453 -15.2453 -15.2438 -15.2438 -14.8795 -14.8795 -14.8780 -14.8780 -14.8584 -14.8584 -14.8568 -14.8568 -2.2842 -2.2842 -2.0161 -2.0161 -1.3301 -1.3301 -1.3105 -1.3105 2.4024 2.4024 3.0180 3.0180 3.5729 3.5729 4.1288 4.1288 4.3711 4.3711 4.9590 4.9590 5.4531 5.4531 5.9193 5.9193 8.5929 8.5929 8.8297 8.8297 9.7226 9.7226 10.3209 10.3209 k = 0.4079 0.4401-0.1109 ( 6126 PWs) bands (ev): -33.9548 -33.9548 -33.9545 -33.9545 -15.2452 -15.2452 -15.2436 -15.2436 -14.8797 -14.8797 -14.8779 -14.8779 -14.8580 -14.8580 -14.8562 -14.8562 -2.3556 -2.3556 -2.0791 -2.0791 -1.2736 -1.2736 -1.2539 -1.2539 2.4057 2.4057 3.1087 3.1087 3.5479 3.5479 4.1444 4.1444 4.3298 4.3298 4.9694 4.9694 5.4788 5.4788 5.9779 5.9779 8.5839 8.5839 8.8509 8.8509 9.6714 9.6714 10.2834 10.2834 k = 0.3947 0.4401-0.1109 ( 6132 PWs) bands (ev): -33.9549 -33.9549 -33.9545 -33.9545 -15.2451 -15.2451 -15.2433 -15.2433 -14.8799 -14.8799 -14.8778 -14.8778 -14.8576 -14.8576 -14.8555 -14.8555 -2.4255 -2.4255 -2.1423 -2.1423 -1.2409 -1.2409 -1.1785 -1.1785 2.4191 2.4191 3.2010 3.2010 3.5311 3.5311 4.1279 4.1279 4.3115 4.3115 4.9833 4.9833 5.5125 5.5125 6.0347 6.0347 8.5775 8.5775 8.8701 8.8701 9.6257 9.6257 10.2438 10.2438 k = 0.3816 0.4401-0.1109 ( 6130 PWs) bands (ev): -33.9550 -33.9550 -33.9545 -33.9545 -15.2451 -15.2451 -15.2429 -15.2429 -14.8801 -14.8801 -14.8778 -14.8778 -14.8570 -14.8570 -14.8547 -14.8547 -2.4939 -2.4939 -2.2052 -2.2052 -1.2128 -1.2128 -1.1041 -1.1041 2.4427 2.4427 3.2903 3.2903 3.5264 3.5264 4.0860 4.0860 4.3077 4.3077 5.0062 5.0062 5.5507 5.5507 6.0893 6.0893 8.5736 8.5736 8.8866 8.8866 9.5862 9.5862 10.2039 10.2039 k = 0.3684 0.4401-0.1109 ( 6126 PWs) bands (ev): -33.9550 -33.9550 -33.9546 -33.9546 -15.2449 -15.2449 -15.2426 -15.2426 -14.8803 -14.8803 -14.8777 -14.8777 -14.8564 -14.8564 -14.8539 -14.8539 -2.5606 -2.5606 -2.2675 -2.2675 -1.1894 -1.1894 -1.0311 -1.0311 2.4765 2.4765 3.3652 3.3652 3.5445 3.5445 4.0341 4.0341 4.3033 4.3033 5.0415 5.0415 5.5909 5.5909 6.1414 6.1414 8.5721 8.5721 8.8995 8.8995 9.5534 9.5534 10.1642 10.1642 k = 0.3553 0.4401-0.1109 ( 6132 PWs) bands (ev): -33.9551 -33.9551 -33.9546 -33.9546 -15.2448 -15.2448 -15.2422 -15.2422 -14.8806 -14.8806 -14.8777 -14.8777 -14.8557 -14.8557 -14.8530 -14.8530 -2.6256 -2.6256 -2.3289 -2.3289 -1.1706 -1.1706 -0.9600 -0.9600 2.5203 2.5203 3.4103 3.4103 3.5983 3.5983 3.9818 3.9818 4.2918 4.2918 5.0900 5.0900 5.6313 5.6313 6.1904 6.1904 8.5729 8.5729 8.9080 8.9080 9.5281 9.5281 10.1253 10.1253 k = 0.3421 0.4401-0.1109 ( 6134 PWs) bands (ev): -33.9552 -33.9552 -33.9547 -33.9547 -15.2447 -15.2447 -15.2419 -15.2419 -14.8808 -14.8808 -14.8778 -14.8778 -14.8550 -14.8550 -14.8520 -14.8520 -2.6887 -2.6887 -2.3892 -2.3892 -1.1563 -1.1563 -0.8911 -0.8911 2.5742 2.5742 3.4324 3.4324 3.6739 3.6739 3.9390 3.9390 4.2728 4.2728 5.1505 5.1505 5.6706 5.6706 6.2360 6.2360 8.5756 8.5756 8.9114 8.9114 9.5105 9.5105 10.0873 10.0873 k = 0.3289 0.4401-0.1109 ( 6130 PWs) bands (ev): -33.9553 -33.9553 -33.9547 -33.9547 -15.2445 -15.2445 -15.2415 -15.2415 -14.8811 -14.8811 -14.8778 -14.8778 -14.8541 -14.8541 -14.8510 -14.8510 -2.7500 -2.7500 -2.4482 -2.4482 -1.1463 -1.1463 -0.8246 -0.8246 2.6376 2.6376 3.4480 3.4480 3.7298 3.7298 3.9310 3.9310 4.2491 4.2491 5.2209 5.2209 5.7082 5.7082 6.2781 6.2781 8.5799 8.5799 8.9092 8.9092 9.5007 9.5007 10.0504 10.0504 k = 0.3158 0.4401-0.1109 ( 6128 PWs) bands (ev): -33.9554 -33.9554 -33.9548 -33.9548 -15.2443 -15.2443 -15.2411 -15.2411 -14.8814 -14.8814 -14.8778 -14.8778 -14.8532 -14.8532 -14.8499 -14.8499 -2.8092 -2.8092 -2.5058 -2.5058 -1.1402 -1.1402 -0.7609 -0.7609 2.7104 2.7104 3.4643 3.4643 3.7272 3.7272 3.9864 3.9864 4.2260 4.2260 5.2989 5.2989 5.7436 5.7436 6.3164 6.3164 8.5852 8.5852 8.9012 8.9012 9.4984 9.4984 10.0149 10.0149 k = 0.3026 0.4401-0.1109 ( 6136 PWs) bands (ev): -33.9555 -33.9555 -33.9548 -33.9548 -15.2442 -15.2442 -15.2407 -15.2407 -14.8817 -14.8817 -14.8779 -14.8779 -14.8523 -14.8523 -14.8487 -14.8487 -2.8663 -2.8663 -2.5617 -2.5617 -1.1379 -1.1379 -0.7002 -0.7002 2.7921 2.7921 3.4826 3.4826 3.6920 3.6920 4.0615 4.0615 4.2220 4.2220 5.3824 5.3824 5.7769 5.7769 6.3508 6.3508 8.5909 8.5909 8.8874 8.8874 9.5028 9.5028 9.9807 9.9807 k = 0.2895 0.4401-0.1109 ( 6142 PWs) bands (ev): -33.9556 -33.9556 -33.9549 -33.9549 -15.2440 -15.2440 -15.2404 -15.2404 -14.8820 -14.8820 -14.8780 -14.8780 -14.8513 -14.8513 -14.8476 -14.8476 -2.9213 -2.9213 -2.6159 -2.6159 -1.1388 -1.1388 -0.6427 -0.6427 2.8821 2.8821 3.5002 3.5002 3.6536 3.6536 4.0861 4.0861 4.2825 4.2825 5.4691 5.4691 5.8086 5.8086 6.3813 6.3813 8.5961 8.5961 8.8681 8.8681 9.5128 9.5128 9.9479 9.9479 k = 0.2763 0.4401-0.1109 ( 6152 PWs) bands (ev): -33.9557 -33.9557 -33.9550 -33.9550 -15.2438 -15.2438 -15.2400 -15.2400 -14.8824 -14.8824 -14.8781 -14.8781 -14.8503 -14.8503 -14.8464 -14.8464 -2.9741 -2.9741 -2.6682 -2.6682 -1.1426 -1.1426 -0.5886 -0.5886 2.9800 2.9800 3.5061 3.5061 3.6305 3.6305 4.0667 4.0667 4.3945 4.3945 5.5566 5.5566 5.8400 5.8400 6.4080 6.4080 8.5998 8.5998 8.8437 8.8437 9.5270 9.5270 9.9163 9.9163 k = 0.2632 0.4401-0.1109 ( 6160 PWs) bands (ev): -33.9558 -33.9558 -33.9550 -33.9550 -15.2437 -15.2437 -15.2396 -15.2396 -14.8827 -14.8827 -14.8782 -14.8782 -14.8493 -14.8493 -14.8452 -14.8452 -3.0248 -3.0248 -2.7186 -2.7186 -1.1488 -1.1488 -0.5379 -0.5379 3.0850 3.0850 3.4862 3.4862 3.6390 3.6390 4.0368 4.0368 4.5233 4.5233 5.6409 5.6409 5.8741 5.8741 6.4309 6.4309 8.6011 8.6011 8.8146 8.8146 9.5437 9.5437 9.8858 9.8858 k = 0.2500 0.4401-0.1109 ( 6156 PWs) bands (ev): -33.9559 -33.9559 -33.9551 -33.9551 -15.2435 -15.2435 -15.2392 -15.2392 -14.8830 -14.8830 -14.8783 -14.8783 -14.8482 -14.8482 -14.8439 -14.8439 -3.0731 -3.0731 -2.7670 -2.7670 -1.1572 -1.1572 -0.4909 -0.4909 3.1959 3.1959 3.4497 3.4497 3.6706 3.6706 4.0065 4.0065 4.6594 4.6594 5.7154 5.7154 5.9170 5.9170 6.4503 6.4503 8.5987 8.5987 8.7810 8.7810 9.5606 9.5606 9.8560 9.8560 k = 0.2368 0.4401-0.1109 ( 6160 PWs) bands (ev): -33.9560 -33.9560 -33.9552 -33.9552 -15.2433 -15.2433 -15.2389 -15.2389 -14.8834 -14.8834 -14.8785 -14.8785 -14.8471 -14.8471 -14.8427 -14.8427 -3.1192 -3.1192 -2.8133 -2.8133 -1.1672 -1.1672 -0.4474 -0.4474 3.3071 3.3071 3.4136 3.4136 3.7110 3.7110 3.9809 3.9809 4.7999 4.7999 5.7717 5.7717 5.9764 5.9764 6.4666 6.4666 8.5913 8.5913 8.7435 8.7435 9.5749 9.5749 9.8265 9.8265 k = 0.2237 0.4401-0.1109 ( 6162 PWs) bands (ev): -33.9561 -33.9561 -33.9552 -33.9552 -15.2431 -15.2431 -15.2385 -15.2385 -14.8837 -14.8837 -14.8786 -14.8786 -14.8460 -14.8460 -14.8414 -14.8414 -3.1629 -3.1629 -2.8573 -2.8573 -1.1786 -1.1786 -0.4075 -0.4075 3.3452 3.3452 3.4548 3.4548 3.7502 3.7502 3.9674 3.9674 4.9435 4.9435 5.8080 5.8080 6.0534 6.0534 6.4802 6.4802 8.5773 8.5773 8.7029 8.7029 9.5822 9.5822 9.7969 9.7969 k = 0.2105 0.4401-0.1109 ( 6154 PWs) bands (ev): -33.9562 -33.9562 -33.9553 -33.9553 -15.2429 -15.2429 -15.2382 -15.2382 -14.8840 -14.8840 -14.8787 -14.8787 -14.8449 -14.8449 -14.8402 -14.8402 -3.2043 -3.2043 -2.8992 -2.8992 -1.1909 -1.1909 -0.3712 -0.3712 3.3089 3.3089 3.5737 3.5737 3.7775 3.7775 3.9775 3.9775 5.0893 5.0893 5.8302 5.8302 6.1416 6.1416 6.4920 6.4920 8.5545 8.5545 8.6603 8.6603 9.5770 9.5770 9.7665 9.7665 k = 0.1974 0.4401-0.1109 ( 6154 PWs) bands (ev): -33.9563 -33.9563 -33.9554 -33.9554 -15.2427 -15.2427 -15.2378 -15.2378 -14.8843 -14.8843 -14.8789 -14.8789 -14.8438 -14.8438 -14.8389 -14.8389 -3.2433 -3.2433 -2.9387 -2.9387 -1.2039 -1.2039 -0.3382 -0.3382 3.2687 3.2687 3.6864 3.6864 3.7992 3.7992 4.0181 4.0181 5.2365 5.2365 5.8441 5.8441 6.2337 6.2337 6.5035 6.5035 8.5204 8.5204 8.6175 8.6175 9.5529 9.5529 9.7341 9.7341 k = 0.1842 0.4401-0.1109 ( 6152 PWs) bands (ev): -33.9564 -33.9564 -33.9554 -33.9554 -15.2425 -15.2425 -15.2375 -15.2375 -14.8846 -14.8846 -14.8790 -14.8790 -14.8428 -14.8428 -14.8378 -14.8378 -3.2798 -3.2798 -2.9759 -2.9759 -1.2172 -1.2172 -0.3086 -0.3086 3.2295 3.2295 3.7264 3.7264 3.8838 3.8838 4.0818 4.0818 5.3840 5.3840 5.8530 5.8530 6.3234 6.3234 6.5183 6.5183 8.4734 8.4734 8.5757 8.5757 9.5061 9.5061 9.6971 9.6971 k = 0.1711 0.4401-0.1109 ( 6148 PWs) bands (ev): -33.9565 -33.9565 -33.9555 -33.9555 -15.2423 -15.2423 -15.2372 -15.2372 -14.8849 -14.8849 -14.8792 -14.8792 -14.8417 -14.8417 -14.8366 -14.8366 -3.3140 -3.3140 -3.0106 -3.0106 -1.2307 -1.2307 -0.2821 -0.2821 3.1922 3.1922 3.7148 3.7148 4.0173 4.0173 4.1596 4.1596 5.5301 5.5301 5.8590 5.8590 6.4003 6.4003 6.5457 6.5457 8.4145 8.4145 8.5336 8.5336 9.4369 9.4369 9.6530 9.6530 k = 0.1579 0.4401-0.1109 ( 6156 PWs) bands (ev): -33.9566 -33.9566 -33.9555 -33.9555 -15.2422 -15.2422 -15.2370 -15.2370 -14.8852 -14.8852 -14.8793 -14.8793 -14.8407 -14.8407 -14.8355 -14.8355 -3.3456 -3.3456 -3.0430 -3.0430 -1.2439 -1.2439 -0.2586 -0.2586 3.1571 3.1571 3.6937 3.6937 4.1603 4.1603 4.2477 4.2477 5.6717 5.6717 5.8642 5.8642 6.4498 6.4498 6.6002 6.6002 8.3457 8.3457 8.4894 8.4894 9.3495 9.3495 9.5991 9.5991 k = 0.1447 0.4401-0.1109 ( 6156 PWs) bands (ev): -33.9567 -33.9567 -33.9556 -33.9556 -15.2420 -15.2420 -15.2367 -15.2367 -14.8855 -14.8855 -14.8795 -14.8795 -14.8398 -14.8398 -14.8345 -14.8345 -3.3748 -3.3748 -3.0729 -3.0729 -1.2569 -1.2569 -0.2379 -0.2379 3.1245 3.1245 3.6708 3.6708 4.3003 4.3003 4.3499 4.3499 5.7971 5.7971 5.8774 5.8774 6.4781 6.4781 6.6773 6.6773 8.2691 8.2691 8.4419 8.4419 9.2501 9.2501 9.5317 9.5317 k = 0.1316 0.4401-0.1109 ( 6152 PWs) bands (ev): -33.9568 -33.9568 -33.9557 -33.9557 -15.2419 -15.2419 -15.2364 -15.2364 -14.8858 -14.8858 -14.8796 -14.8796 -14.8388 -14.8388 -14.8335 -14.8335 -3.4015 -3.4015 -3.1002 -3.1002 -1.2692 -1.2692 -0.2197 -0.2197 3.0945 3.0945 3.6481 3.6481 4.4161 4.4161 4.4834 4.4834 5.8471 5.8471 5.9520 5.9520 6.5054 6.5054 6.7608 6.7608 8.1868 8.1868 8.3911 8.3911 9.1443 9.1443 9.4464 9.4464 k = 0.1184 0.4401-0.1109 ( 6150 PWs) bands (ev): -33.9568 -33.9568 -33.9557 -33.9557 -15.2417 -15.2417 -15.2362 -15.2362 -14.8860 -14.8860 -14.8797 -14.8797 -14.8380 -14.8380 -14.8326 -14.8326 -3.4257 -3.4257 -3.1251 -3.1251 -1.2809 -1.2809 -0.2040 -0.2040 3.0671 3.0671 3.6267 3.6267 4.5183 4.5183 4.6352 4.6352 5.8529 5.8529 6.0471 6.0471 6.5472 6.5472 6.8418 6.8418 8.1018 8.1018 8.3376 8.3376 9.0364 9.0364 9.3412 9.3412 k = 0.1053 0.4401-0.1109 ( 6160 PWs) bands (ev): -33.9569 -33.9569 -33.9558 -33.9558 -15.2416 -15.2416 -15.2360 -15.2360 -14.8862 -14.8862 -14.8798 -14.8798 -14.8373 -14.8373 -14.8317 -14.8317 -3.4474 -3.4474 -3.1473 -3.1473 -1.2916 -1.2916 -0.1905 -0.1905 3.0425 3.0425 3.6069 3.6069 4.6182 4.6182 4.7914 4.7914 5.8541 5.8541 6.1134 6.1134 6.6139 6.6139 6.9154 6.9154 8.0187 8.0187 8.2827 8.2827 8.9295 8.9295 9.2186 9.2186 k = 0.0921 0.4401-0.1109 ( 6154 PWs) bands (ev): -33.9570 -33.9570 -33.9558 -33.9558 -15.2415 -15.2415 -15.2359 -15.2359 -14.8864 -14.8864 -14.8799 -14.8799 -14.8365 -14.8365 -14.8310 -14.8310 -3.4666 -3.4666 -3.1671 -3.1671 -1.3014 -1.3014 -0.1790 -0.1790 3.0206 3.0206 3.5890 3.5890 4.7167 4.7167 4.9484 4.9484 5.8548 5.8548 6.1459 6.1459 6.7029 6.7029 6.9795 6.9795 7.9444 7.9444 8.2280 8.2280 8.8256 8.8256 9.0835 9.0835 k = 0.0789 0.4401-0.1109 ( 6150 PWs) bands (ev): -33.9570 -33.9570 -33.9558 -33.9558 -15.2414 -15.2414 -15.2357 -15.2357 -14.8866 -14.8866 -14.8800 -14.8800 -14.8359 -14.8359 -14.8303 -14.8303 -3.4832 -3.4832 -3.1842 -3.1842 -1.3101 -1.3101 -0.1694 -0.1694 3.0016 3.0016 3.5733 3.5733 4.8123 4.8123 5.1038 5.1038 5.8559 5.8559 6.1528 6.1528 6.7917 6.7917 7.0402 7.0402 7.8879 7.8879 8.1752 8.1752 8.7256 8.7256 8.9403 8.9403 k = 0.0658 0.4401-0.1109 ( 6146 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2413 -15.2413 -15.2355 -15.2355 -14.8867 -14.8867 -14.8801 -14.8801 -14.8354 -14.8354 -14.8297 -14.8297 -3.4973 -3.4973 -3.1987 -3.1987 -1.3176 -1.3176 -0.1615 -0.1615 2.9855 2.9855 3.5599 3.5599 4.9029 4.9029 5.2550 5.2550 5.8580 5.8580 6.1443 6.1443 6.8400 6.8400 7.1211 7.1211 7.8572 7.8572 8.1264 8.1264 8.6300 8.6300 8.7928 8.7928 k = 0.0526 0.4401-0.1109 ( 6152 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2413 -15.2413 -15.2354 -15.2354 -14.8869 -14.8869 -14.8802 -14.8802 -14.8350 -14.8350 -14.8292 -14.8292 -3.5088 -3.5088 -3.2106 -3.2106 -1.3238 -1.3238 -0.1552 -0.1552 2.9722 2.9722 3.5488 3.5488 4.9857 4.9857 5.3977 5.3977 5.8612 5.8612 6.1296 6.1296 6.8263 6.8263 7.2363 7.2363 7.8544 7.8544 8.0834 8.0834 8.5393 8.5393 8.6451 8.6451 k = 0.0395 0.4401-0.1109 ( 6148 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2413 -15.2413 -15.2353 -15.2353 -14.8870 -14.8870 -14.8802 -14.8802 -14.8346 -14.8346 -14.8288 -14.8288 -3.5178 -3.5178 -3.2198 -3.2198 -1.3287 -1.3287 -0.1504 -0.1504 2.9619 2.9619 3.5401 3.5401 5.0572 5.0572 5.5256 5.5256 5.8645 5.8645 6.1177 6.1177 6.7691 6.7691 7.3701 7.3701 7.8726 7.8726 8.0482 8.0482 8.4523 8.4523 8.5043 8.5043 k = 0.0263 0.4401-0.1109 ( 6136 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8870 -14.8870 -14.8802 -14.8802 -14.8343 -14.8343 -14.8285 -14.8285 -3.5242 -3.5242 -3.2264 -3.2264 -1.3323 -1.3323 -0.1471 -0.1471 2.9545 2.9545 3.5338 3.5338 5.1132 5.1132 5.6292 5.6292 5.8648 5.8648 6.1178 6.1178 6.6939 6.6939 7.5056 7.5056 7.8962 7.8962 8.0239 8.0239 8.3543 8.3543 8.3978 8.3978 k = 0.0132 0.4401-0.1109 ( 6150 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8871 -14.8871 -14.8803 -14.8803 -14.8342 -14.8342 -14.8284 -14.8284 -3.5280 -3.5280 -3.2304 -3.2304 -1.3344 -1.3344 -0.1451 -0.1451 2.9500 2.9500 3.5301 3.5301 5.1492 5.1492 5.6987 5.6987 5.8596 5.8596 6.1319 6.1319 6.6270 6.6270 7.6239 7.6239 7.9021 7.9021 8.0154 8.0154 8.2596 8.2596 8.3381 8.3381 k = 0.0000 0.4401-0.1109 ( 6156 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8871 -14.8871 -14.8803 -14.8803 -14.8342 -14.8342 -14.8284 -14.8284 -3.5293 -3.5293 -3.2317 -3.2317 -1.3351 -1.3351 -0.1444 -0.1444 2.9486 2.9486 3.5288 3.5288 5.1617 5.1617 5.7241 5.7241 5.8550 5.8550 6.1419 6.1419 6.5987 6.5987 7.6801 7.6801 7.8923 7.8923 8.0165 8.0165 8.2219 8.2219 8.3160 8.3160 k = 0.0000 0.4401-0.1109 ( 6156 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2353 -15.2353 -14.8871 -14.8871 -14.8803 -14.8803 -14.8342 -14.8342 -14.8284 -14.8284 -3.5293 -3.5293 -3.2317 -3.2317 -1.3351 -1.3351 -0.1444 -0.1444 2.9486 2.9486 3.5288 3.5288 5.1617 5.1617 5.7241 5.7241 5.8550 5.8550 6.1419 6.1419 6.5987 6.5987 7.6801 7.6801 7.8923 7.8923 8.0165 8.0165 8.2219 8.2219 8.3160 8.3160 k = 0.0000 0.4433-0.0980 ( 6150 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2352 -15.2352 -14.8871 -14.8871 -14.8803 -14.8803 -14.8342 -14.8342 -14.8284 -14.8284 -3.5299 -3.5299 -3.2311 -3.2311 -1.3357 -1.3357 -0.1443 -0.1443 2.9473 2.9473 3.5356 3.5356 5.1598 5.1598 5.7052 5.7052 5.8530 5.8530 6.1595 6.1595 6.5989 6.5989 7.6808 7.6808 7.8818 7.8818 8.0249 8.0249 8.2084 8.2084 8.3309 8.3309 k = 0.0000 0.4465-0.0851 ( 6147 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2412 -15.2412 -15.2352 -15.2352 -14.8871 -14.8871 -14.8803 -14.8803 -14.8341 -14.8341 -14.8284 -14.8284 -3.5315 -3.5315 -3.2290 -3.2290 -1.3376 -1.3376 -0.1440 -0.1440 2.9440 2.9440 3.5554 3.5554 5.1541 5.1541 5.6541 5.6541 5.8522 5.8522 6.2003 6.2003 6.6007 6.6007 7.6820 7.6820 7.8587 7.8587 8.0410 8.0410 8.1841 8.1841 8.3614 8.3614 k = 0.0000 0.4498-0.0723 ( 6146 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2412 -15.2412 -15.2352 -15.2352 -14.8871 -14.8871 -14.8803 -14.8803 -14.8341 -14.8341 -14.8284 -14.8284 -3.5342 -3.5342 -3.2257 -3.2257 -1.3405 -1.3405 -0.1434 -0.1434 2.9395 2.9395 3.5873 3.5873 5.1441 5.1441 5.5845 5.5845 5.8560 5.8560 6.2437 6.2437 6.6076 6.6076 7.6803 7.6803 7.8367 7.8367 8.0487 8.0487 8.1686 8.1686 8.3950 8.3950 k = 0.0000 0.4530-0.0594 ( 6141 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2411 -15.2411 -15.2352 -15.2352 -14.8871 -14.8871 -14.8803 -14.8803 -14.8341 -14.8341 -14.8284 -14.8284 -3.5378 -3.5378 -3.2212 -3.2212 -1.3444 -1.3444 -0.1428 -0.1428 2.9352 2.9352 3.6296 3.6296 5.1291 5.1291 5.5078 5.5078 5.8636 5.8636 6.2736 6.2736 6.6247 6.6247 7.6700 7.6700 7.8263 7.8263 8.0372 8.0372 8.1730 8.1730 8.4276 8.4276 k = 0.0000 0.4563-0.0465 ( 6143 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2411 -15.2411 -15.2352 -15.2352 -14.8870 -14.8870 -14.8803 -14.8803 -14.8341 -14.8341 -14.8284 -14.8284 -3.5424 -3.5424 -3.2157 -3.2157 -1.3493 -1.3493 -0.1421 -0.1421 2.9323 2.9323 3.6808 3.6808 5.1077 5.1077 5.4319 5.4319 5.8741 5.8741 6.2808 6.2808 6.6548 6.6548 7.6491 7.6491 7.8324 7.8324 8.0124 8.0124 8.1919 8.1919 8.4581 8.4581 k = 0.0000 0.4595-0.0336 ( 6138 PWs) bands (ev): -33.9571 -33.9571 -33.9559 -33.9559 -15.2411 -15.2411 -15.2352 -15.2352 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8284 -14.8284 -3.5478 -3.5478 -3.2091 -3.2091 -1.3548 -1.3548 -0.1414 -0.1414 2.9317 2.9317 3.7393 3.7393 5.0778 5.0778 5.3626 5.3626 5.8864 5.8864 6.2648 6.2648 6.6951 6.6951 7.6219 7.6219 7.8510 7.8510 7.9851 7.9851 8.2166 8.2166 8.4860 8.4860 k = 0.0000 0.4627-0.0208 ( 6151 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8341 -14.8341 -14.8284 -14.8284 -3.5539 -3.5539 -3.2018 -3.2018 -1.3608 -1.3608 -0.1409 -0.1409 2.9343 2.9343 3.8038 3.8038 5.0376 5.0376 5.3043 5.3043 5.8997 5.8997 6.2298 6.2298 6.7392 6.7392 7.5935 7.5935 7.8715 7.8715 7.9659 7.9659 8.2432 8.2432 8.5117 8.5117 k = 0.0000 0.4660-0.0079 ( 6155 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8284 -14.8284 -3.5606 -3.5606 -3.1937 -3.1937 -1.3671 -1.3671 -0.1407 -0.1407 2.9405 2.9405 3.8730 3.8730 4.9873 4.9873 5.2588 5.2588 5.9130 5.9130 6.1807 6.1807 6.7813 6.7813 7.5675 7.5675 7.8735 7.8735 7.9734 7.9734 8.2709 8.2709 8.5354 8.5354 k = 0.0000 0.4692 0.0050 ( 6153 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5679 -3.5679 -3.1852 -3.1852 -1.3734 -1.3734 -0.1407 -0.1407 2.9505 2.9505 3.9452 3.9452 4.9304 4.9304 5.2245 5.2245 5.9240 5.9240 6.1227 6.1227 6.8179 6.8179 7.5456 7.5456 7.8545 7.8545 8.0076 8.0076 8.3000 8.3000 8.5577 8.5577 k = 0.0000 0.4725 0.0178 ( 6160 PWs) bands (ev): -33.9572 -33.9572 -33.9559 -33.9559 -15.2411 -15.2411 -15.2353 -15.2353 -14.8870 -14.8870 -14.8803 -14.8803 -14.8340 -14.8340 -14.8285 -14.8285 -3.5757 -3.5757 -3.1764 -3.1764 -1.3795 -1.3795 -0.1412 -0.1412 2.9643 2.9643 4.0189 4.0189 4.8722 4.8722 5.1982 5.1982 5.9264 5.9264 6.0639 6.0639 6.8473 6.8473 7.5282 7.5282 7.8291 7.8291 8.0511 8.0511 8.3312 8.3312 8.5792 8.5792 k = 0.5000 0.4076 0.2395 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2450 -15.2450 -14.8785 -14.8785 -14.8784 -14.8784 -14.8591 -14.8591 -14.8590 -14.8590 -1.8710 -1.8710 -1.8706 -1.8706 -1.5734 -1.5734 -1.5733 -1.5733 2.5348 2.5348 2.5370 2.5370 3.7640 3.7640 3.7987 3.7987 4.8248 4.8248 4.8782 4.8782 5.7424 5.7424 5.7438 5.7438 8.3980 8.3980 8.4554 8.4554 9.9299 9.9299 9.9806 9.9806 k = 0.5000 0.3945 0.2395 ( 6106 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2450 -15.2450 -15.2449 -15.2449 -14.8784 -14.8784 -14.8784 -14.8784 -14.8591 -14.8591 -14.8590 -14.8590 -1.8712 -1.8712 -1.8708 -1.8708 -1.5825 -1.5825 -1.5824 -1.5824 2.5556 2.5556 2.5559 2.5559 3.7749 3.7749 3.8097 3.8097 4.8305 4.8305 4.8879 4.8879 5.7235 5.7235 5.7251 5.7251 8.4013 8.4013 8.4593 8.4593 9.9531 9.9531 10.0031 10.0031 k = 0.5000 0.3813 0.2395 ( 6106 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2449 -15.2449 -15.2448 -15.2448 -14.8783 -14.8783 -14.8783 -14.8783 -14.8590 -14.8590 -14.8590 -14.8590 -1.8727 -1.8727 -1.8721 -1.8721 -1.5932 -1.5932 -1.5931 -1.5931 2.5816 2.5816 2.5830 2.5830 3.7856 3.7856 3.8207 3.8207 4.8383 4.8383 4.9000 4.9000 5.7050 5.7050 5.7069 5.7069 8.4073 8.4073 8.4657 8.4657 9.9746 9.9746 10.0230 10.0230 k = 0.5000 0.3682 0.2395 ( 6108 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2449 -15.2449 -15.2448 -15.2448 -14.8782 -14.8782 -14.8782 -14.8782 -14.8590 -14.8590 -14.8590 -14.8590 -1.8752 -1.8752 -1.8746 -1.8746 -1.6052 -1.6052 -1.6052 -1.6052 2.6138 2.6138 2.6171 2.6171 3.7963 3.7963 3.8317 3.8317 4.8479 4.8479 4.9140 4.9140 5.6867 5.6867 5.6892 5.6892 8.4164 8.4164 8.4753 8.4753 9.9926 9.9926 10.0379 10.0379 k = 0.5000 0.3550 0.2395 ( 6104 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2448 -15.2448 -15.2447 -15.2447 -14.8781 -14.8781 -14.8780 -14.8780 -14.8590 -14.8590 -14.8590 -14.8590 -1.8788 -1.8788 -1.8782 -1.8782 -1.6186 -1.6186 -1.6185 -1.6185 2.6523 2.6523 2.6574 2.6574 3.8069 3.8069 3.8426 3.8426 4.8591 4.8591 4.9300 4.9300 5.6688 5.6688 5.6721 5.6721 8.4291 8.4291 8.4886 8.4886 10.0052 10.0052 10.0457 10.0457 k = 0.5000 0.3419 0.2395 ( 6114 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2447 -15.2447 -15.2446 -15.2446 -14.8779 -14.8779 -14.8778 -14.8778 -14.8590 -14.8590 -14.8590 -14.8590 -1.8835 -1.8835 -1.8828 -1.8828 -1.6330 -1.6330 -1.6329 -1.6329 2.6968 2.6968 2.7038 2.7038 3.8176 3.8176 3.8537 3.8537 4.8717 4.8717 4.9476 4.9476 5.6517 5.6517 5.6560 5.6560 8.4457 8.4457 8.5058 8.5058 10.0107 10.0107 10.0448 10.0448 k = 0.5000 0.3287 0.2395 ( 6112 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2446 -15.2446 -15.2445 -15.2445 -14.8778 -14.8778 -14.8776 -14.8776 -14.8590 -14.8590 -14.8589 -14.8589 -1.8893 -1.8893 -1.8884 -1.8884 -1.6483 -1.6483 -1.6482 -1.6482 2.7469 2.7469 2.7557 2.7557 3.8284 3.8284 3.8649 3.8649 4.8855 4.8855 4.9667 4.9667 5.6354 5.6354 5.6411 5.6411 8.4663 8.4663 8.5271 8.5271 10.0074 10.0074 10.0333 10.0333 k = 0.5000 0.3156 0.2395 ( 6116 PWs) bands (ev): -33.9545 -33.9545 -33.9545 -33.9545 -15.2445 -15.2445 -15.2444 -15.2444 -14.8776 -14.8776 -14.8774 -14.8774 -14.8590 -14.8590 -14.8589 -14.8589 -1.8960 -1.8960 -1.8951 -1.8951 -1.6642 -1.6642 -1.6641 -1.6641 2.8022 2.8022 2.8128 2.8128 3.8396 3.8396 3.8765 3.8765 4.9002 4.9002 4.9869 4.9869 5.6205 5.6205 5.6277 5.6277 8.4909 8.4909 8.5524 8.5524 9.9938 9.9938 10.0098 10.0098 k = 0.5000 0.3024 0.2395 ( 6112 PWs) bands (ev): -33.9546 -33.9546 -33.9546 -33.9546 -15.2444 -15.2444 -15.2442 -15.2442 -14.8774 -14.8774 -14.8772 -14.8772 -14.8590 -14.8590 -14.8589 -14.8589 -1.9037 -1.9037 -1.9027 -1.9027 -1.6806 -1.6806 -1.6805 -1.6805 2.8620 2.8620 2.8746 2.8746 3.8512 3.8512 3.8887 3.8887 4.9154 4.9154 5.0080 5.0080 5.6072 5.6072 5.6164 5.6164 8.5192 8.5192 8.5817 8.5817 9.9683 9.9683 9.9731 9.9731 k = 0.5000 0.2893 0.2395 ( 6110 PWs) bands (ev): -33.9546 -33.9546 -33.9546 -33.9546 -15.2443 -15.2443 -15.2441 -15.2441 -14.8772 -14.8772 -14.8769 -14.8769 -14.8589 -14.8589 -14.8588 -14.8588 -1.9124 -1.9124 -1.9114 -1.9114 -1.6971 -1.6971 -1.6970 -1.6970 2.9257 2.9257 2.9403 2.9403 3.8638 3.8638 3.9019 3.9019 4.9305 4.9305 5.0295 5.0295 5.5963 5.5963 5.6077 5.6077 8.5508 8.5508 8.6146 8.6146 9.9224 9.9224 9.9292 9.9292 k = 0.5000 0.2761 0.2395 ( 6114 PWs) bands (ev): -33.9546 -33.9546 -33.9546 -33.9546 -15.2441 -15.2441 -15.2440 -15.2440 -14.8770 -14.8770 -14.8767 -14.8767 -14.8589 -14.8589 -14.8588 -14.8588 -1.9221 -1.9221 -1.9209 -1.9209 -1.7136 -1.7136 -1.7134 -1.7134 2.9926 2.9926 3.0090 3.0090 3.8776 3.8776 3.9165 3.9165 4.9453 4.9453 5.0509 5.0509 5.5882 5.5882 5.6020 5.6020 8.5850 8.5850 8.6506 8.6506 9.8577 9.8577 9.8755 9.8755 k = 0.5000 0.2630 0.2395 ( 6116 PWs) bands (ev): -33.9546 -33.9546 -33.9546 -33.9546 -15.2440 -15.2440 -15.2438 -15.2438 -14.8767 -14.8767 -14.8764 -14.8764 -14.8589 -14.8589 -14.8587 -14.8587 -1.9326 -1.9326 -1.9314 -1.9314 -1.7298 -1.7298 -1.7296 -1.7296 3.0617 3.0617 3.0799 3.0799 3.8933 3.8933 3.9333 3.9333 4.9591 4.9591 5.0717 5.0717 5.5838 5.5838 5.6001 5.6001 8.6208 8.6208 8.6889 8.6889 9.7801 9.7801 9.8069 9.8069 k = 0.5000 0.2498 0.2395 ( 6118 PWs) bands (ev): -33.9546 -33.9546 -33.9546 -33.9546 -15.2439 -15.2439 -15.2437 -15.2437 -14.8765 -14.8765 -14.8762 -14.8762 -14.8588 -14.8588 -14.8587 -14.8587 -1.9439 -1.9439 -1.9427 -1.9427 -1.7455 -1.7455 -1.7453 -1.7453 3.1317 3.1317 3.1517 3.1517 3.9117 3.9117 3.9533 3.9533 4.9715 4.9715 5.0913 5.0913 5.5835 5.5835 5.6023 5.6023 8.6568 8.6568 8.7287 8.7287 9.6916 9.6916 9.7240 9.7240 k = 0.5000 0.2367 0.2395 ( 6120 PWs) bands (ev): -33.9547 -33.9547 -33.9547 -33.9547 -15.2437 -15.2437 -15.2435 -15.2435 -14.8763 -14.8763 -14.8760 -14.8760 -14.8588 -14.8588 -14.8586 -14.8586 -1.9560 -1.9560 -1.9548 -1.9548 -1.7606 -1.7606 -1.7604 -1.7604 3.2013 3.2013 3.2227 3.2227 3.9338 3.9338 3.9777 3.9777 4.9820 4.9820 5.1093 5.1093 5.5881 5.5881 5.6091 5.6091 8.6906 8.6906 8.7682 8.7682 9.5955 9.5955 9.6293 9.6293 k = 0.5000 0.2235 0.2395 ( 6112 PWs) bands (ev): -33.9547 -33.9547 -33.9547 -33.9547 -15.2436 -15.2436 -15.2434 -15.2434 -14.8761 -14.8761 -14.8757 -14.8757 -14.8587 -14.8587 -14.8585 -14.8585 -1.9687 -1.9687 -1.9675 -1.9675 -1.7749 -1.7749 -1.7747 -1.7747 3.2688 3.2688 3.2911 3.2911 3.9607 3.9607 4.0080 4.0080 4.9906 4.9906 5.1254 5.1254 5.5979 5.5979 5.6206 5.6206 8.7185 8.7185 8.8046 8.8046 9.4968 9.4968 9.5267 9.5267 k = 0.5000 0.2104 0.2395 ( 6130 PWs) bands (ev): -33.9547 -33.9547 -33.9547 -33.9547 -15.2435 -15.2435 -15.2433 -15.2433 -14.8759 -14.8759 -14.8755 -14.8755 -14.8586 -14.8586 -14.8585 -14.8585 -1.9820 -1.9820 -1.9807 -1.9807 -1.7883 -1.7883 -1.7881 -1.7881 3.3322 3.3322 3.3549 3.3549 3.9939 3.9939 4.0459 4.0459 4.9971 4.9971 5.1395 5.1395 5.6131 5.6131 5.6369 5.6369 8.7340 8.7340 8.8326 8.8326 9.4033 9.4033 9.4227 9.4227 k = 0.5000 0.1972 0.2395 ( 6132 PWs) bands (ev): -33.9547 -33.9547 -33.9547 -33.9547 -15.2433 -15.2433 -15.2431 -15.2431 -14.8757 -14.8757 -14.8753 -14.8753 -14.8586 -14.8586 -14.8584 -14.8584 -1.9955 -1.9955 -1.9943 -1.9943 -1.8009 -1.8009 -1.8007 -1.8007 3.3897 3.3897 3.4121 3.4121 4.0347 4.0347 4.0928 4.0928 5.0018 5.0018 5.1522 5.1522 5.6332 5.6332 5.6575 5.6575 8.7272 8.7272 8.8421 8.8421 9.3260 9.3260 9.3294 9.3294 k = 0.5000 0.1841 0.2395 ( 6134 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2432 -15.2432 -15.2430 -15.2430 -14.8755 -14.8755 -14.8751 -14.8751 -14.8585 -14.8585 -14.8583 -14.8583 -2.0092 -2.0092 -2.0080 -2.0080 -1.8125 -1.8125 -1.8123 -1.8123 3.4399 3.4399 3.4613 3.4613 4.0838 4.0838 4.1498 4.1498 5.0053 5.0053 5.1640 5.1640 5.6578 5.6578 5.6820 5.6820 8.6869 8.6869 8.8162 8.8162 9.2648 9.2648 9.2770 9.2770 k = 0.5000 0.1709 0.2395 ( 6132 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2430 -15.2430 -15.2429 -15.2429 -14.8753 -14.8753 -14.8749 -14.8749 -14.8583 -14.8583 -14.8582 -14.8582 -2.0229 -2.0229 -2.0217 -2.0217 -1.8232 -1.8232 -1.8230 -1.8230 3.4818 3.4818 3.5017 3.5017 4.1411 4.1411 4.2167 4.2167 5.0083 5.0083 5.1761 5.1761 5.6860 5.6860 5.7096 5.7096 8.6100 8.6100 8.7438 8.7438 9.2415 9.2415 9.2606 9.2606 k = 0.5000 0.1578 0.2395 ( 6130 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2429 -15.2429 -15.2427 -15.2427 -14.8751 -14.8751 -14.8748 -14.8748 -14.8582 -14.8582 -14.8581 -14.8581 -2.0363 -2.0363 -2.0352 -2.0352 -1.8330 -1.8330 -1.8328 -1.8328 3.5157 3.5157 3.5338 3.5338 4.2054 4.2054 4.2921 4.2921 5.0119 5.0119 5.1898 5.1898 5.7167 5.7167 5.7394 5.7394 8.5040 8.5040 8.6342 8.6342 9.2511 9.2511 9.2701 9.2701 k = 0.5000 0.1446 0.2395 ( 6132 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2428 -15.2428 -15.2426 -15.2426 -14.8749 -14.8749 -14.8746 -14.8746 -14.8581 -14.8581 -14.8579 -14.8579 -2.0493 -2.0493 -2.0483 -2.0483 -1.8419 -1.8419 -1.8417 -1.8417 3.5422 3.5422 3.5585 3.5585 4.2748 4.2748 4.3737 4.3737 5.0176 5.0176 5.2065 5.2065 5.7488 5.7488 5.7704 5.7704 8.3799 8.3799 8.5038 8.5038 9.2783 9.2783 9.2953 9.2953 k = 0.5000 0.1315 0.2395 ( 6138 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2427 -15.2427 -15.2425 -15.2425 -14.8748 -14.8748 -14.8745 -14.8745 -14.8580 -14.8580 -14.8578 -14.8578 -2.0618 -2.0618 -2.0608 -2.0608 -1.8499 -1.8499 -1.8498 -1.8498 3.5626 3.5626 3.5771 3.5771 4.3463 4.3463 4.4579 4.4579 5.0277 5.0277 5.2278 5.2278 5.7810 5.7810 5.8016 5.8016 8.2462 8.2462 8.3638 8.3638 9.3127 9.3127 9.3285 9.3285 k = 0.5000 0.1183 0.2395 ( 6142 PWs) bands (ev): -33.9548 -33.9548 -33.9548 -33.9548 -15.2426 -15.2426 -15.2424 -15.2424 -14.8747 -14.8747 -14.8744 -14.8744 -14.8579 -14.8579 -14.8577 -14.8577 -2.0734 -2.0734 -2.0725 -2.0725 -1.8571 -1.8571 -1.8570 -1.8570 3.5781 3.5781 3.5909 3.5909 4.4170 4.4170 4.5400 4.5400 5.0454 5.0454 5.2554 5.2554 5.8121 5.8121 5.8318 5.8318 8.1087 8.1087 8.2202 8.2202 9.3488 9.3488 9.3649 9.3649 k = 0.5000 0.1052 0.2395 ( 6150 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2425 -15.2425 -15.2423 -15.2423 -14.8746 -14.8746 -14.8743 -14.8743 -14.8578 -14.8578 -14.8576 -14.8576 -2.0843 -2.0843 -2.0834 -2.0834 -1.8635 -1.8635 -1.8634 -1.8634 3.5898 3.5898 3.6009 3.6009 4.4839 4.4839 4.6141 4.6141 5.0750 5.0750 5.2907 5.2907 5.8408 5.8408 5.8598 5.8598 7.9716 7.9716 8.0771 8.0771 9.3834 9.3834 9.4013 9.4013 k = 0.5000 0.0920 0.2395 ( 6154 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2424 -15.2424 -15.2423 -15.2423 -14.8745 -14.8745 -14.8743 -14.8743 -14.8576 -14.8576 -14.8575 -14.8575 -2.0941 -2.0941 -2.0933 -2.0933 -1.8692 -1.8692 -1.8691 -1.8691 3.5985 3.5985 3.6080 3.6080 4.5445 4.5445 4.6743 4.6743 5.1209 5.1209 5.3346 5.3346 5.8654 5.8654 5.8843 5.8843 7.8383 7.8383 7.9375 7.9375 9.4142 9.4142 9.4354 9.4354 k = 0.5000 0.0789 0.2395 ( 6148 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2423 -15.2423 -15.2422 -15.2422 -14.8744 -14.8744 -14.8742 -14.8742 -14.8575 -14.8575 -14.8574 -14.8574 -2.1028 -2.1028 -2.1021 -2.1021 -1.8740 -1.8740 -1.8739 -1.8739 3.6050 3.6050 3.6130 3.6130 4.5970 4.5970 4.7173 4.7173 5.1846 5.1846 5.3871 5.3871 5.8846 5.8846 5.9039 5.9039 7.7122 7.7122 7.8042 7.8042 9.4390 9.4390 9.4653 9.4653 k = 0.5000 0.0657 0.2395 ( 6154 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2422 -15.2422 -15.2421 -15.2421 -14.8743 -14.8743 -14.8742 -14.8742 -14.8574 -14.8574 -14.8574 -14.8574 -2.1103 -2.1103 -2.1097 -2.1097 -1.8781 -1.8781 -1.8780 -1.8780 3.6098 3.6098 3.6164 3.6164 4.6408 4.6408 4.7444 4.7444 5.2633 5.2633 5.4465 5.4465 5.8965 5.8965 5.9173 5.9173 7.5968 7.5968 7.6801 7.6801 9.4562 9.4562 9.4887 9.4887 k = 0.5000 0.0526 0.2395 ( 6152 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2422 -15.2422 -15.2421 -15.2421 -14.8742 -14.8742 -14.8741 -14.8741 -14.8573 -14.8573 -14.8573 -14.8573 -2.1165 -2.1165 -2.1161 -2.1161 -1.8814 -1.8814 -1.8814 -1.8814 3.6133 3.6133 3.6186 3.6186 4.6761 4.6761 4.7592 4.7592 5.3505 5.3505 5.5096 5.5096 5.8998 5.8998 5.9232 5.9232 7.4960 7.4960 7.5684 7.5684 9.4651 9.4651 9.5026 9.5026 k = 0.5000 0.0394 0.2395 ( 6156 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2421 -15.2421 -15.2420 -15.2420 -14.8742 -14.8742 -14.8741 -14.8741 -14.8573 -14.8573 -14.8572 -14.8572 -2.1214 -2.1214 -2.1211 -2.1211 -1.8840 -1.8840 -1.8840 -1.8840 3.6159 3.6159 3.6198 3.6198 4.7039 4.7039 4.7656 4.7656 5.4397 5.4397 5.5714 5.5714 5.8940 5.8940 5.9204 5.9204 7.4141 7.4141 7.4726 7.4726 9.4677 9.4677 9.5042 9.5042 k = 0.5000 0.0263 0.2395 ( 6156 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2421 -15.2421 -15.2420 -15.2420 -14.8742 -14.8742 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1249 -2.1249 -2.1247 -2.1247 -1.8859 -1.8859 -1.8859 -1.8859 3.6179 3.6179 3.6204 3.6204 4.7255 4.7255 4.7660 4.7660 5.5241 5.5241 5.6237 5.6237 5.8814 5.8814 5.9090 5.9090 7.3553 7.3553 7.3968 7.3968 9.4679 9.4679 9.4958 9.4958 k = 0.5000 0.0131 0.2395 ( 6160 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1270 -2.1270 -2.1269 -2.1269 -1.8870 -1.8870 -1.8870 -1.8870 3.6192 3.6192 3.6205 3.6205 4.7418 4.7418 4.7619 4.7619 5.5957 5.5957 5.6530 5.6530 5.8706 5.8706 5.8912 5.8912 7.3231 7.3231 7.3447 7.3447 9.4696 9.4696 9.4843 9.4843 k = 0.5000-0.0000 0.2395 ( 6160 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1276 -2.1276 -2.1276 -2.1276 -1.8873 -1.8873 -1.8873 -1.8873 3.6201 3.6201 3.6201 3.6201 4.7538 4.7538 4.7538 4.7538 5.6434 5.6434 5.6434 5.6434 5.8744 5.8744 5.8744 5.8744 7.3196 7.3196 7.3196 7.3196 9.4749 9.4749 9.4749 9.4749 k = 0.5000-0.0000 0.2395 ( 6160 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1276 -2.1276 -2.1276 -2.1276 -1.8873 -1.8873 -1.8873 -1.8873 3.6201 3.6201 3.6201 3.6201 4.7538 4.7538 4.7538 4.7538 5.6434 5.6434 5.6434 5.6434 5.8744 5.8744 5.8744 5.8744 7.3196 7.3196 7.3196 7.3196 9.4749 9.4749 9.4749 9.4749 k = 0.5000-0.0000 0.2269 ( 6164 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1294 -2.1294 -2.1292 -2.1292 -1.8854 -1.8854 -1.8853 -1.8853 3.6120 3.6120 3.6128 3.6128 4.7624 4.7624 4.7665 4.7665 5.6411 5.6411 5.6443 5.6443 5.8713 5.8713 5.8806 5.8806 7.3182 7.3182 7.3208 7.3208 9.4604 9.4604 9.4664 9.4664 k = 0.5000-0.0000 0.2143 ( 6166 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1342 -2.1342 -2.1340 -2.1340 -1.8797 -1.8797 -1.8794 -1.8794 3.5895 3.5895 3.5909 3.5909 4.7912 4.7912 4.7994 4.7994 5.6379 5.6379 5.6438 5.6438 5.8716 5.8716 5.8900 5.8900 7.3166 7.3166 7.3219 7.3219 9.4246 9.4246 9.4341 9.4341 k = 0.5000-0.0000 0.2017 ( 6164 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1417 -2.1417 -2.1414 -2.1414 -1.8707 -1.8707 -1.8703 -1.8703 3.5552 3.5552 3.5571 3.5571 4.8376 4.8376 4.8499 4.8499 5.6341 5.6341 5.6422 5.6422 5.8750 5.8750 5.9020 5.9020 7.3150 7.3150 7.3227 7.3227 9.3693 9.3693 9.3793 9.3793 k = 0.5000-0.0000 0.1891 ( 6154 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8740 -14.8740 -14.8740 -14.8740 -14.8572 -14.8572 -14.8572 -14.8572 -2.1512 -2.1512 -2.1508 -2.1508 -1.8591 -1.8591 -1.8586 -1.8586 3.5121 3.5121 3.5142 3.5142 4.8980 4.8980 4.9145 4.9145 5.6303 5.6303 5.6402 5.6402 5.8814 5.8814 5.9166 5.9166 7.3133 7.3133 7.3234 7.3234 9.2965 9.2965 9.3051 9.3051 k = 0.5000-0.0000 0.1765 ( 6152 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8740 -14.8740 -14.8740 -14.8740 -14.8573 -14.8573 -14.8573 -14.8573 -2.1619 -2.1619 -2.1614 -2.1614 -1.8457 -1.8457 -1.8451 -1.8451 3.4633 3.4633 3.4654 3.4654 4.9687 4.9687 4.9894 4.9894 5.6274 5.6274 5.6385 5.6385 5.8902 5.8902 5.9334 5.9334 7.3116 7.3116 7.3239 7.3239 9.2085 9.2085 9.2147 9.2147 k = 0.5000-0.0000 0.1639 ( 6148 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8740 -14.8740 -14.8740 -14.8740 -14.8573 -14.8573 -14.8573 -14.8573 -2.1734 -2.1734 -2.1729 -2.1729 -1.8311 -1.8311 -1.8305 -1.8305 3.4113 3.4113 3.4134 3.4134 5.0460 5.0460 5.0711 5.0711 5.6262 5.6262 5.6383 5.6383 5.9013 5.9013 5.9525 5.9525 7.3100 7.3100 7.3242 7.3242 9.1079 9.1079 9.1114 9.1114 k = 0.5000-0.0000 0.1513 ( 6134 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8739 -14.8739 -14.8739 -14.8739 -14.8573 -14.8573 -14.8573 -14.8573 -2.1851 -2.1851 -2.1846 -2.1846 -1.8158 -1.8158 -1.8152 -1.8152 3.3582 3.3582 3.3601 3.3601 5.1261 5.1261 5.1556 5.1556 5.6281 5.6281 5.6416 5.6416 5.9145 5.9145 5.9739 5.9739 7.3084 7.3084 7.3244 7.3244 8.9972 8.9972 8.9978 8.9978 k = 0.5000-0.0000 0.1387 ( 6134 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8739 -14.8739 -14.8739 -14.8739 -14.8574 -14.8574 -14.8574 -14.8574 -2.1967 -2.1967 -2.1962 -2.1962 -1.8003 -1.8003 -1.7997 -1.7997 3.3056 3.3056 3.3073 3.3073 5.2047 5.2047 5.2381 5.2381 5.6349 5.6349 5.6509 5.6509 5.9299 5.9299 5.9982 5.9982 7.3070 7.3070 7.3245 7.3245 8.8767 8.8767 8.8787 8.8787 k = 0.5000-0.0000 0.1261 ( 6130 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8738 -14.8738 -14.8738 -14.8738 -14.8574 -14.8574 -14.8574 -14.8574 -2.2079 -2.2079 -2.2075 -2.2075 -1.7850 -1.7850 -1.7844 -1.7844 3.2547 3.2547 3.2563 3.2563 5.2769 5.2769 5.3125 5.3125 5.6491 5.6491 5.6703 5.6703 5.9482 5.9482 6.0260 6.0260 7.3059 7.3059 7.3245 7.3245 8.7501 8.7501 8.7547 8.7547 k = 0.5000-0.0000 0.1135 ( 6130 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8738 -14.8738 -14.8737 -14.8737 -14.8575 -14.8575 -14.8575 -14.8575 -2.2186 -2.2186 -2.2182 -2.2182 -1.7702 -1.7702 -1.7696 -1.7696 3.2065 3.2065 3.2079 3.2079 5.3372 5.3372 5.3718 5.3718 5.6733 5.6733 5.7035 5.7035 5.9710 5.9710 6.0587 6.0587 7.3051 7.3051 7.3246 7.3246 8.6203 8.6203 8.6270 8.6270 k = 0.5000-0.0000 0.1009 ( 6136 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8737 -14.8737 -14.8737 -14.8737 -14.8575 -14.8575 -14.8575 -14.8575 -2.2285 -2.2285 -2.2281 -2.2281 -1.7561 -1.7561 -1.7556 -1.7556 3.1618 3.1618 3.1630 3.1630 5.3820 5.3820 5.4123 5.4123 5.7078 5.7078 5.7495 5.7495 6.0013 6.0013 6.0979 6.0979 7.3049 7.3049 7.3248 7.3248 8.4890 8.4890 8.4975 8.4975 k = 0.5000-0.0000 0.0883 ( 6132 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2419 -15.2419 -15.2419 -15.2419 -14.8737 -14.8737 -14.8737 -14.8737 -14.8576 -14.8576 -14.8576 -14.8576 -2.2374 -2.2374 -2.2371 -2.2371 -1.7432 -1.7432 -1.7427 -1.7427 3.1212 3.1212 3.1221 3.1221 5.4117 5.4117 5.4364 5.4364 5.7489 5.7489 5.7996 5.7996 6.0441 6.0441 6.1452 6.1452 7.3053 7.3053 7.3253 7.3253 8.3583 8.3583 8.3683 8.3683 k = 0.5000-0.0000 0.0756 ( 6138 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8736 -14.8736 -14.8736 -14.8736 -14.8576 -14.8576 -14.8576 -14.8576 -2.2454 -2.2454 -2.2451 -2.2451 -1.7315 -1.7315 -1.7310 -1.7310 3.0850 3.0850 3.0858 3.0858 5.4300 5.4300 5.4494 5.4494 5.7903 5.7903 5.8425 5.8425 6.1033 6.1033 6.2011 6.2011 7.3065 7.3065 7.3263 7.3263 8.2304 8.2304 8.2413 8.2413 k = 0.5000-0.0000 0.0630 ( 6140 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8736 -14.8736 -14.8736 -14.8736 -14.8577 -14.8577 -14.8577 -14.8577 -2.2523 -2.2523 -2.2520 -2.2520 -1.7212 -1.7212 -1.7209 -1.7209 3.0539 3.0539 3.0545 3.0545 5.4410 5.4410 5.4559 5.4559 5.8269 5.8269 5.8732 5.8732 6.1768 6.1768 6.2641 6.2641 7.3090 7.3090 7.3280 7.3280 8.1079 8.1079 8.1190 8.1190 k = 0.5000-0.0000 0.0504 ( 6142 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8736 -14.8736 -14.8736 -14.8736 -14.8577 -14.8577 -14.8577 -14.8577 -2.2579 -2.2579 -2.2577 -2.2577 -1.7126 -1.7126 -1.7123 -1.7123 3.0280 3.0280 3.0285 3.0285 5.4475 5.4475 5.4588 5.4588 5.8566 5.8566 5.8933 5.8933 6.2570 6.2570 6.3298 6.3298 7.3131 7.3131 7.3307 7.3307 7.9941 7.9941 8.0048 8.0048 k = 0.5000-0.0000 0.0378 ( 6146 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8735 -14.8735 -14.8735 -14.8735 -14.8578 -14.8578 -14.8577 -14.8577 -2.2624 -2.2624 -2.2623 -2.2623 -1.7058 -1.7058 -1.7055 -1.7055 3.0076 3.0076 3.0080 3.0080 5.4516 5.4516 5.4597 5.4597 5.8791 5.8791 5.9058 5.9058 6.3351 6.3351 6.3915 6.3915 7.3190 7.3190 7.3343 7.3343 7.8936 7.8936 7.9029 7.9029 k = 0.5000-0.0000 0.0252 ( 6142 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8735 -14.8735 -14.8735 -14.8735 -14.8578 -14.8578 -14.8578 -14.8578 -2.2656 -2.2656 -2.2655 -2.2655 -1.7008 -1.7008 -1.7006 -1.7006 2.9929 2.9929 2.9932 2.9932 5.4543 5.4543 5.4595 5.4595 5.8955 5.8955 5.9127 5.9127 6.4026 6.4026 6.4415 6.4415 7.3266 7.3266 7.3383 7.3383 7.8127 7.8127 7.8196 7.8196 k = 0.5000-0.0000 0.0126 ( 6150 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8735 -14.8735 -14.8735 -14.8735 -14.8578 -14.8578 -14.8578 -14.8578 -2.2675 -2.2675 -2.2675 -2.2675 -1.6978 -1.6978 -1.6977 -1.6977 2.9841 2.9841 2.9842 2.9842 5.4561 5.4561 5.4587 5.4587 5.9065 5.9065 5.9149 5.9149 6.4516 6.4516 6.4716 6.4716 7.3346 7.3346 7.3411 7.3411 7.7594 7.7594 7.7630 7.7630 k = 0.5000-0.0000-0.0000 ( 6158 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8735 -14.8735 -14.8735 -14.8735 -14.8578 -14.8578 -14.8578 -14.8578 -2.2682 -2.2682 -2.2682 -2.2682 -1.6967 -1.6967 -1.6967 -1.6967 2.9812 2.9812 2.9812 2.9812 5.4576 5.4576 5.4576 5.4576 5.9129 5.9129 5.9129 5.9129 6.4756 6.4756 6.4756 6.4756 7.3402 7.3402 7.3402 7.3402 7.7416 7.7416 7.7416 7.7416 k = 0.0000 0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8285 -14.8285 -4.0611 -4.0611 -3.7851 -3.7851 -0.3899 -0.3899 0.9614 0.9614 3.1515 3.1515 3.9236 3.9236 4.9361 4.9361 5.0795 5.0795 5.2827 5.2827 6.5427 6.5427 6.6389 6.6389 7.2126 7.2126 8.2824 8.2824 8.3204 8.3204 9.0881 9.0881 9.3820 9.3820 k = 0.0132-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8330 -14.8330 -14.8286 -14.8286 -4.0597 -4.0597 -3.7837 -3.7837 -0.3900 -0.3900 0.9586 0.9586 3.1514 3.1514 3.9250 3.9250 4.9348 4.9348 5.0780 5.0780 5.2664 5.2664 6.5427 6.5427 6.6550 6.6550 7.2114 7.2114 8.2853 8.2853 8.3199 8.3199 9.0742 9.0742 9.3913 9.3913 k = 0.0263-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2369 -15.2369 -15.2302 -15.2302 -14.8801 -14.8801 -14.8719 -14.8719 -14.8332 -14.8332 -14.8287 -14.8287 -4.0554 -4.0554 -3.7795 -3.7795 -0.3905 -0.3905 0.9500 0.9500 3.1512 3.1512 3.9291 3.9291 4.9306 4.9306 5.0731 5.0731 5.2207 5.2207 6.5453 6.5453 6.6976 6.6976 7.2080 7.2080 8.2913 8.2913 8.3209 8.3209 9.0378 9.0378 9.4143 9.4143 k = 0.0395-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2370 -15.2370 -15.2303 -15.2303 -14.8800 -14.8800 -14.8719 -14.8719 -14.8335 -14.8335 -14.8290 -14.8290 -4.0484 -4.0484 -3.7724 -3.7724 -0.3913 -0.3913 0.9357 0.9357 3.1510 3.1510 3.9358 3.9358 4.9224 4.9224 5.0621 5.0621 5.1564 5.1564 6.5523 6.5523 6.7570 6.7570 7.2023 7.2023 8.2909 8.2909 8.3327 8.3327 8.9886 8.9886 9.4427 9.4427 k = 0.0526-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2370 -15.2370 -15.2304 -15.2304 -14.8799 -14.8799 -14.8718 -14.8718 -14.8338 -14.8338 -14.8294 -14.8294 -4.0384 -4.0384 -3.7625 -3.7625 -0.3926 -0.3926 0.9156 0.9156 3.1509 3.1509 3.9452 3.9452 4.9059 4.9059 5.0260 5.0260 5.1042 5.1042 6.5627 6.5627 6.8247 6.8247 7.1948 7.1948 8.2806 8.2806 8.3590 8.3590 8.9345 8.9345 9.4704 9.4704 k = 0.0658-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9575 -33.9575 -33.9563 -33.9563 -15.2371 -15.2371 -15.2306 -15.2306 -14.8798 -14.8798 -14.8718 -14.8718 -14.8342 -14.8342 -14.8299 -14.8299 -4.0257 -4.0257 -3.7499 -3.7499 -0.3943 -0.3943 0.8895 0.8895 3.1512 3.1512 3.9572 3.9572 4.8649 4.8649 4.9646 4.9646 5.0885 5.0885 6.5741 6.5741 6.8929 6.8929 7.1859 7.1859 8.2632 8.2632 8.3962 8.3962 8.8812 8.8812 9.4941 9.4941 k = 0.0789-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2372 -15.2372 -15.2307 -15.2307 -14.8797 -14.8797 -14.8717 -14.8717 -14.8348 -14.8348 -14.8305 -14.8305 -4.0101 -4.0101 -3.7344 -3.7344 -0.3968 -0.3968 0.8574 0.8574 3.1520 3.1520 3.9715 3.9715 4.7783 4.7783 4.9279 4.9279 5.0863 5.0863 6.5837 6.5837 6.9552 6.9552 7.1767 7.1767 8.2400 8.2400 8.4426 8.4426 8.8333 8.8333 9.5117 9.5117 k = 0.0921-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9574 -33.9574 -33.9562 -33.9562 -15.2374 -15.2374 -15.2309 -15.2309 -14.8796 -14.8796 -14.8716 -14.8716 -14.8354 -14.8354 -14.8312 -14.8312 -3.9917 -3.9917 -3.7161 -3.7161 -0.4001 -0.4001 0.8193 0.8193 3.1538 3.1538 3.9880 3.9880 4.6676 4.6676 4.9075 4.9075 5.0893 5.0893 6.5888 6.5888 7.0053 7.0053 7.1690 7.1690 8.2117 8.2117 8.4959 8.4959 8.7950 8.7950 9.5218 9.5218 k = 0.1053-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9573 -33.9573 -33.9562 -33.9562 -15.2375 -15.2375 -15.2311 -15.2311 -14.8794 -14.8794 -14.8716 -14.8716 -14.8361 -14.8361 -14.8319 -14.8319 -3.9705 -3.9705 -3.6950 -3.6950 -0.4044 -0.4044 0.7750 0.7750 3.1568 3.1568 4.0061 4.0061 4.5503 4.5503 4.8921 4.8921 5.0959 5.0959 6.5867 6.5867 7.0374 7.0374 7.1659 7.1659 8.1801 8.1801 8.5513 8.5513 8.7709 8.7709 9.5235 9.5235 k = 0.1184-0.0000 0.2395 ( 6144 PWs) bands (ev): -33.9572 -33.9572 -33.9561 -33.9561 -15.2376 -15.2376 -15.2314 -15.2314 -14.8793 -14.8793 -14.8715 -14.8715 -14.8368 -14.8368 -14.8328 -14.8328 -3.9465 -3.9465 -3.6711 -3.6711 -0.4100 -0.4100 0.7246 0.7246 3.1614 3.1614 4.0246 4.0246 4.4332 4.4332 4.8796 4.8796 5.1053 5.1053 6.5749 6.5749 7.0487 7.0487 7.1683 7.1683 8.1476 8.1476 8.5985 8.5985 8.7690 8.7690 9.5163 9.5163 k = 0.1316-0.0000 0.2395 ( 6144 PWs) bands (ev): -33.9572 -33.9572 -33.9561 -33.9561 -15.2378 -15.2378 -15.2317 -15.2317 -14.8791 -14.8791 -14.8714 -14.8714 -14.8377 -14.8377 -14.8337 -14.8337 -3.9197 -3.9197 -3.6445 -3.6445 -0.4170 -0.4170 0.6682 0.6682 3.1680 3.1680 4.0400 4.0400 4.3224 4.3224 4.8698 4.8698 5.1172 5.1172 6.5516 6.5516 7.0433 7.0433 7.1713 7.1713 8.1174 8.1174 8.6243 8.6243 8.7980 8.7980 9.5000 9.5000 k = 0.1447-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9571 -33.9571 -33.9560 -33.9560 -15.2380 -15.2380 -15.2320 -15.2320 -14.8789 -14.8789 -14.8713 -14.8713 -14.8386 -14.8386 -14.8347 -14.8347 -3.8900 -3.8900 -3.6151 -3.6151 -0.4259 -0.4259 0.6058 0.6058 3.1767 3.1767 4.0403 4.0403 4.2318 4.2318 4.8632 4.8632 5.1313 5.1313 6.5156 6.5156 7.0278 7.0278 7.1682 7.1682 8.0924 8.0924 8.6315 8.6315 8.8486 8.8486 9.4756 9.4756 k = 0.1579-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9570 -33.9570 -33.9560 -33.9560 -15.2382 -15.2382 -15.2323 -15.2323 -14.8787 -14.8787 -14.8712 -14.8712 -14.8395 -14.8395 -14.8358 -14.8358 -3.8576 -3.8576 -3.5830 -3.5830 -0.4368 -0.4368 0.5377 0.5377 3.1880 3.1880 3.9969 3.9969 4.1911 4.1911 4.8600 4.8600 5.1473 5.1473 6.4667 6.4667 7.0058 7.0058 7.1551 7.1551 8.0750 8.0750 8.6313 8.6313 8.9016 8.9016 9.4454 9.4454 k = 0.1711-0.0000 0.2395 ( 6148 PWs) bands (ev): -33.9569 -33.9569 -33.9559 -33.9559 -15.2384 -15.2384 -15.2327 -15.2327 -14.8785 -14.8785 -14.8711 -14.8711 -14.8405 -14.8405 -14.8369 -14.8369 -3.8225 -3.8225 -3.5482 -3.5482 -0.4501 -0.4501 0.4640 0.4640 3.2018 3.2018 3.9130 3.9130 4.1982 4.1982 4.8603 4.8603 5.1651 5.1651 6.4054 6.4054 6.9790 6.9790 7.1308 7.1308 8.0664 8.0664 8.6288 8.6288 8.9424 8.9424 9.4135 9.4135 k = 0.1842-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9568 -33.9568 -33.9558 -33.9558 -15.2386 -15.2386 -15.2330 -15.2330 -14.8782 -14.8782 -14.8711 -14.8711 -14.8415 -14.8415 -14.8381 -14.8381 -3.7845 -3.7845 -3.5108 -3.5108 -0.4661 -0.4661 0.3852 0.3852 3.2185 3.2185 3.8184 3.8184 4.2244 4.2244 4.8641 4.8641 5.1846 5.1846 6.3330 6.3330 6.9480 6.9480 7.0956 7.0956 8.0671 8.0671 8.6249 8.6249 8.9604 8.9604 9.3849 9.3849 k = 0.1974-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9568 -33.9568 -33.9558 -33.9558 -15.2388 -15.2388 -15.2334 -15.2334 -14.8780 -14.8780 -14.8710 -14.8710 -14.8426 -14.8426 -14.8393 -14.8393 -3.7438 -3.7438 -3.4706 -3.4706 -0.4851 -0.4851 0.3015 0.3015 3.2377 3.2377 3.7253 3.7253 4.2583 4.2583 4.8714 4.8714 5.2057 5.2057 6.2512 6.2512 6.9133 6.9133 7.0499 7.0499 8.0765 8.0765 8.6186 8.6186 8.9501 8.9501 9.3606 9.3606 k = 0.2105-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9567 -33.9567 -33.9557 -33.9557 -15.2390 -15.2390 -15.2338 -15.2338 -14.8777 -14.8777 -14.8709 -14.8709 -14.8436 -14.8436 -14.8405 -14.8405 -3.7003 -3.7003 -3.4279 -3.4279 -0.5075 -0.5075 0.2134 0.2134 3.2592 3.2592 3.6380 3.6380 4.2967 4.2967 4.8819 4.8819 5.2282 5.2282 6.1618 6.1618 6.8752 6.8752 6.9948 6.9948 8.0934 8.0934 8.6080 8.6080 8.9142 8.9142 9.3352 9.3352 k = 0.2237-0.0000 0.2395 ( 6134 PWs) bands (ev): -33.9566 -33.9566 -33.9556 -33.9556 -15.2393 -15.2393 -15.2342 -15.2342 -14.8775 -14.8775 -14.8708 -14.8708 -14.8447 -14.8447 -14.8417 -14.8417 -3.6542 -3.6542 -3.3825 -3.3825 -0.5336 -0.5336 0.1212 0.1212 3.2817 3.2817 3.5595 3.5595 4.3385 4.3385 4.8951 4.8951 5.2521 5.2521 6.0669 6.0669 6.8337 6.8337 6.9317 6.9317 8.1163 8.1163 8.5904 8.5904 8.8612 8.8612 9.3036 9.3036 k = 0.2368-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9565 -33.9565 -33.9556 -33.9556 -15.2395 -15.2395 -15.2347 -15.2347 -14.8773 -14.8773 -14.8708 -14.8708 -14.8458 -14.8458 -14.8429 -14.8429 -3.6053 -3.6053 -3.3346 -3.3346 -0.5637 -0.5637 0.0255 0.0255 3.3017 3.3017 3.4943 3.4943 4.3830 4.3830 4.9105 4.9105 5.2772 5.2772 5.9685 5.9685 6.7882 6.7882 6.8624 6.8624 8.1431 8.1431 8.5633 8.5633 8.7995 8.7995 9.2679 9.2679 k = 0.2500-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9564 -33.9564 -33.9555 -33.9555 -15.2398 -15.2398 -15.2351 -15.2351 -14.8771 -14.8771 -14.8707 -14.8707 -14.8469 -14.8469 -14.8441 -14.8441 -3.5537 -3.5537 -3.2841 -3.2841 -0.5979 -0.5979 -0.0733 -0.0733 3.3091 3.3091 3.4531 3.4531 4.4298 4.4298 4.9269 4.9269 5.3033 5.3033 5.8688 5.8688 6.7362 6.7362 6.7912 6.7912 8.1704 8.1704 8.5257 8.5257 8.7350 8.7350 9.2343 9.2343 k = 0.2632-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9563 -33.9563 -33.9554 -33.9554 -15.2400 -15.2400 -15.2356 -15.2356 -14.8768 -14.8768 -14.8707 -14.8707 -14.8479 -14.8479 -14.8454 -14.8454 -3.4995 -3.4995 -3.2312 -3.2312 -0.6365 -0.6365 -0.1749 -0.1749 3.2907 3.2907 3.4496 3.4496 4.4788 4.4788 4.9432 4.9432 5.3301 5.3301 5.7704 5.7704 6.6706 6.6706 6.7264 6.7264 8.1924 8.1924 8.4816 8.4816 8.6701 8.6701 9.2078 9.2078 k = 0.2763-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9562 -33.9562 -33.9554 -33.9554 -15.2403 -15.2403 -15.2360 -15.2360 -14.8766 -14.8766 -14.8707 -14.8707 -14.8489 -14.8489 -14.8466 -14.8466 -3.4425 -3.4425 -3.1758 -3.1758 -0.6795 -0.6795 -0.2787 -0.2787 3.2563 3.2563 3.4740 3.4740 4.5296 4.5296 4.9570 4.9570 5.3572 5.3572 5.6770 5.6770 6.5897 6.5897 6.6709 6.6709 8.1974 8.1974 8.4415 8.4415 8.6068 8.6068 9.1912 9.1912 k = 0.2895-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9561 -33.9561 -33.9553 -33.9553 -15.2405 -15.2405 -15.2365 -15.2365 -14.8764 -14.8764 -14.8708 -14.8708 -14.8499 -14.8499 -14.8477 -14.8477 -3.3830 -3.3830 -3.1180 -3.1180 -0.7271 -0.7271 -0.3844 -0.3844 3.2214 3.2214 3.5110 3.5110 4.5820 4.5820 4.9649 4.9649 5.3830 5.3830 5.5937 5.5937 6.5005 6.5005 6.6191 6.6191 8.1716 8.1716 8.4131 8.4131 8.5532 8.5532 9.1848 9.1848 k = 0.3026-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9560 -33.9560 -33.9553 -33.9553 -15.2408 -15.2408 -15.2369 -15.2369 -14.8762 -14.8762 -14.8708 -14.8708 -14.8508 -14.8508 -14.8488 -14.8488 -3.3209 -3.3209 -3.0578 -3.0578 -0.7791 -0.7791 -0.4915 -0.4915 3.1919 3.1919 3.5544 3.5544 4.6357 4.6357 4.9618 4.9618 5.4035 5.4035 5.5305 5.5305 6.4070 6.4070 6.5680 6.5680 8.1155 8.1155 8.3739 8.3739 8.5341 8.5341 9.1877 9.1877 k = 0.3158-0.0000 0.2395 ( 6136 PWs) bands (ev): -33.9559 -33.9559 -33.9552 -33.9552 -15.2410 -15.2410 -15.2374 -15.2374 -14.8760 -14.8760 -14.8709 -14.8709 -14.8517 -14.8517 -14.8499 -14.8499 -3.2561 -3.2561 -2.9954 -2.9954 -0.8354 -0.8354 -0.5998 -0.5998 3.1699 3.1699 3.6020 3.6020 4.6901 4.6901 4.9418 4.9418 5.4082 5.4082 5.5040 5.5040 6.3112 6.3112 6.5168 6.5168 8.0423 8.0423 8.3068 8.3068 8.5563 8.5563 9.1983 9.1983 k = 0.3289-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9558 -33.9558 -33.9551 -33.9551 -15.2412 -15.2412 -15.2378 -15.2378 -14.8759 -14.8759 -14.8710 -14.8710 -14.8525 -14.8525 -14.8508 -14.8508 -3.1889 -3.1889 -2.9308 -2.9308 -0.8960 -0.8960 -0.7088 -0.7088 3.1559 3.1559 3.6525 3.6525 4.7442 4.7442 4.9019 4.9019 5.4007 5.4007 5.5144 5.5144 6.2146 6.2146 6.4653 6.4653 7.9615 7.9615 8.2250 8.2250 8.5999 8.5999 9.2149 9.2149 k = 0.3421-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9557 -33.9557 -33.9551 -33.9551 -15.2414 -15.2414 -15.2383 -15.2383 -14.8757 -14.8757 -14.8712 -14.8712 -14.8533 -14.8533 -14.8518 -14.8518 -3.1191 -3.1191 -2.8641 -2.8641 -0.9604 -0.9604 -0.8182 -0.8182 3.1503 3.1503 3.7049 3.7049 4.7908 4.7908 4.8511 4.8511 5.4015 5.4015 5.5392 5.5392 6.1185 6.1185 6.4134 6.4134 7.8783 7.8783 8.1372 8.1372 8.6534 8.6534 9.2362 9.2362 k = 0.3553-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9556 -33.9556 -33.9550 -33.9550 -15.2416 -15.2416 -15.2387 -15.2387 -14.8756 -14.8756 -14.8714 -14.8714 -14.8540 -14.8540 -14.8526 -14.8526 -3.0468 -3.0468 -2.7953 -2.7953 -1.0285 -1.0285 -0.9278 -0.9278 3.1528 3.1528 3.7583 3.7583 4.7591 4.7591 4.8657 4.8657 5.4147 5.4147 5.5676 5.5676 6.0247 6.0247 6.3613 6.3613 7.7954 7.7954 8.0472 8.0472 8.7127 8.7127 9.2611 9.2611 k = 0.3684-0.0000 0.2395 ( 6140 PWs) bands (ev): -33.9555 -33.9555 -33.9550 -33.9550 -15.2418 -15.2418 -15.2391 -15.2391 -14.8754 -14.8754 -14.8716 -14.8716 -14.8546 -14.8546 -14.8534 -14.8534 -2.9722 -2.9722 -2.7246 -2.7246 -1.0999 -1.0999 -1.0373 -1.0373 3.1633 3.1633 3.8111 3.8111 4.6851 4.6851 4.9160 4.9160 5.4365 5.4365 5.5961 5.5961 5.9356 5.9356 6.3089 6.3089 7.7148 7.7148 7.9570 7.9570 8.7757 8.7757 9.2886 9.2886 k = 0.3816-0.0000 0.2395 ( 6144 PWs) bands (ev): -33.9554 -33.9554 -33.9550 -33.9550 -15.2419 -15.2419 -15.2396 -15.2396 -14.8753 -14.8753 -14.8718 -14.8718 -14.8552 -14.8552 -14.8541 -14.8541 -2.8951 -2.8951 -2.6520 -2.6520 -1.1742 -1.1742 -1.1463 -1.1463 3.1814 3.1814 3.8607 3.8607 4.6099 4.6099 4.9655 4.9655 5.4624 5.4624 5.6215 5.6215 5.8560 5.8560 6.2565 6.2565 7.6377 7.6377 7.8680 7.8680 8.8416 8.8416 9.3182 9.3182 k = 0.3947-0.0000 0.2395 ( 6142 PWs) bands (ev): -33.9553 -33.9553 -33.9549 -33.9549 -15.2420 -15.2420 -15.2399 -15.2399 -14.8752 -14.8752 -14.8720 -14.8720 -14.8557 -14.8557 -14.8547 -14.8547 -2.8157 -2.8157 -2.5778 -2.5778 -1.2551 -1.2551 -1.2506 -1.2506 3.2069 3.2069 3.9033 3.9033 4.5422 4.5422 5.0096 5.0096 5.4872 5.4872 5.6385 5.6385 5.7952 5.7952 6.2043 6.2043 7.5657 7.5657 7.7815 7.7815 8.9096 8.9096 9.3493 9.3493 k = 0.4079-0.0000 0.2395 ( 6146 PWs) bands (ev): -33.9553 -33.9553 -33.9549 -33.9549 -15.2421 -15.2421 -15.2403 -15.2403 -14.8751 -14.8751 -14.8723 -14.8723 -14.8561 -14.8561 -14.8553 -14.8553 -2.7341 -2.7341 -2.5020 -2.5020 -1.3622 -1.3622 -1.3298 -1.3298 3.2393 3.2393 3.9323 3.9323 4.4902 4.4902 5.0436 5.0436 5.5041 5.5041 5.6415 5.6415 5.7672 5.7672 6.1525 6.1525 7.4999 7.4999 7.6987 7.6987 8.9793 8.9793 9.3814 9.3814 k = 0.4211-0.0000 0.2395 ( 6150 PWs) bands (ev): -33.9552 -33.9552 -33.9549 -33.9549 -15.2422 -15.2422 -15.2406 -15.2406 -14.8750 -14.8750 -14.8726 -14.8726 -14.8564 -14.8564 -14.8558 -14.8558 -2.6503 -2.6503 -2.4250 -2.4250 -1.4683 -1.4683 -1.4103 -1.4103 3.2783 3.2783 3.9398 3.9398 4.4631 4.4631 5.0608 5.0608 5.5073 5.5073 5.6425 5.6425 5.7698 5.7698 6.1016 6.1016 7.4416 7.4416 7.6206 7.6206 9.0503 9.0503 9.4141 9.4141 k = 0.4342-0.0000 0.2395 ( 6152 PWs) bands (ev): -33.9551 -33.9551 -33.9549 -33.9549 -15.2423 -15.2423 -15.2410 -15.2410 -14.8749 -14.8749 -14.8729 -14.8729 -14.8567 -14.8567 -14.8561 -14.8561 -2.5645 -2.5645 -2.3471 -2.3471 -1.5728 -1.5728 -1.4921 -1.4921 3.3233 3.3233 3.9208 3.9208 4.4663 4.4663 5.0542 5.0542 5.5061 5.5061 5.6544 5.6544 5.7849 5.7849 6.0523 6.0523 7.3923 7.3923 7.5484 7.5484 9.1221 9.1221 9.4470 9.4470 k = 0.4474-0.0000 0.2395 ( 6156 PWs) bands (ev): -33.9551 -33.9551 -33.9549 -33.9549 -15.2423 -15.2423 -15.2412 -15.2412 -14.8748 -14.8748 -14.8731 -14.8731 -14.8569 -14.8569 -14.8565 -14.8565 -2.4769 -2.4769 -2.2690 -2.2690 -1.6749 -1.6749 -1.5746 -1.5746 3.3738 3.3738 3.8787 3.8787 4.4970 4.4970 5.0215 5.0215 5.5161 5.5161 5.6704 5.6704 5.8024 5.8024 6.0056 6.0056 7.3532 7.3532 7.4833 7.4833 9.1945 9.1945 9.4794 9.4794 k = 0.4605-0.0000 0.2395 ( 6164 PWs) bands (ev): -33.9550 -33.9550 -33.9549 -33.9549 -15.2423 -15.2423 -15.2415 -15.2415 -14.8746 -14.8746 -14.8734 -14.8734 -14.8571 -14.8571 -14.8568 -14.8568 -2.3878 -2.3878 -2.1923 -2.1923 -1.7731 -1.7731 -1.6572 -1.6572 3.4294 3.4294 3.8216 3.8216 4.5472 4.5472 4.9680 4.9680 5.5402 5.5402 5.6819 5.6819 5.8198 5.8198 5.9633 5.9633 7.3256 7.3256 7.4266 7.4266 9.2667 9.2667 9.5105 9.5105 k = 0.4737-0.0000 0.2395 ( 6158 PWs) bands (ev): -33.9550 -33.9550 -33.9549 -33.9549 -15.2422 -15.2422 -15.2417 -15.2417 -14.8745 -14.8745 -14.8737 -14.8737 -14.8572 -14.8572 -14.8570 -14.8570 -2.2979 -2.2979 -2.1225 -2.1225 -1.8618 -1.8618 -1.7390 -1.7390 3.4895 3.4895 3.7565 3.7565 4.6099 4.6099 4.9017 4.9017 5.5734 5.5734 5.6825 5.6825 5.8368 5.8368 5.9270 5.9270 7.3105 7.3105 7.3796 7.3796 9.3384 9.3384 9.5357 9.5357 k = 0.4868-0.0000 0.2395 ( 6166 PWs) bands (ev): -33.9550 -33.9550 -33.9549 -33.9549 -15.2421 -15.2421 -15.2419 -15.2419 -14.8743 -14.8743 -14.8739 -14.8739 -14.8572 -14.8572 -14.8571 -14.8571 -2.2090 -2.2090 -2.0855 -2.0855 -1.9153 -1.9153 -1.8180 -1.8180 3.5534 3.5534 3.6884 3.6884 4.6799 4.6799 4.8288 4.8288 5.6096 5.6096 5.6692 5.6692 5.8546 5.8546 5.8978 5.8978 7.3084 7.3084 7.3436 7.3436 9.4085 9.4085 9.5287 9.5288 k = 0.5000-0.0000 0.2395 ( 6160 PWs) bands (ev): -33.9549 -33.9549 -33.9549 -33.9549 -15.2420 -15.2420 -15.2420 -15.2420 -14.8741 -14.8741 -14.8741 -14.8741 -14.8572 -14.8572 -14.8572 -14.8572 -2.1276 -2.1276 -2.1276 -2.1276 -1.8873 -1.8873 -1.8873 -1.8873 3.6201 3.6201 3.6201 3.6201 4.7538 4.7538 4.7538 4.7538 5.6434 5.6434 5.6434 5.6434 5.8744 5.8744 5.8744 5.8744 7.3196 7.3196 7.3196 7.3196 9.4749 9.4749 9.4749 9.4749 Writing output data file CaSb2.save init_run : 0.38s CPU 0.74s WALL ( 1 calls) electrons : 230.91s CPU 234.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 230.90s CPU 234.78s 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 : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 263 calls) cegterg : 216.92s CPU 219.22s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 122.98s CPU 124.06s WALL ( 10735 calls) s_psi : 10.00s CPU 10.47s WALL ( 10735 calls) g_psi : 0.34s CPU 0.41s WALL ( 9848 calls) cdiaghg : 67.30s CPU 67.84s WALL ( 10111 calls) cegterg:over : 9.44s CPU 9.27s WALL ( 9848 calls) cegterg:upda : 9.22s CPU 9.63s WALL ( 9848 calls) cegterg:last : 4.29s CPU 4.35s WALL ( 1566 calls) cdiaghg:chol : 3.87s CPU 3.92s WALL ( 10111 calls) cdiaghg:inve : 2.55s CPU 2.55s WALL ( 10111 calls) cdiaghg:para : 4.10s CPU 3.87s WALL ( 20222 calls) Called by h_psi: h_psi:vloc : 100.05s CPU 101.02s WALL ( 10735 calls) h_psi:vnl : 22.56s CPU 22.66s WALL ( 10735 calls) add_vuspsi : 12.19s CPU 12.09s WALL ( 10735 calls) General routines calbec : 10.34s CPU 10.53s WALL ( 10735 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.51s CPU 94.48s WALL ( 907944 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 526 calls) Parallel routines fft_scatter : 32.06s CPU 32.40s WALL ( 907967 calls) PWSCF : 4m 6.41s CPU 4m42.08s WALL This run was terminated on: 16:33:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=