Program PWSCF v.5.1.1 starts on 18Jul2015 at 16:53:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnSe.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 2034 1364 209 Max 29 21 8 2048 1387 226 Sum 1257 973 293 97877 66051 10475 bravais-lattice index = 14 lattice parameter (alat) = 7.9493 a.u. unit-cell volume = 1466.6583 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.949330 celldm(2)= 1.000000 celldm(3)= 2.919695 celldm(4)= 0.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.919695 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.342502 ) PseudoPot. # 1 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Se 6.00 78.96000 Se( 1.00) 8 Sym. Ops. (no inversion) found (note: 8 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0032680 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0032680 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0032680 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0032680 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0032680 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0032680 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0032680 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0032680 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0032680 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0032680 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0032680 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0032680 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0032680 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0032680 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032680 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0032680 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0032680 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0032680 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0032680 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0032680 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0032680 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0032680 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0032680 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0032680 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0032680 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0032680 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0032680 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0032680 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0032680 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0032680 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0032680 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0032680 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0032680 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0032680 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0032680 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0032680 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0032680 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0032680 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0032680 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0032680 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0032680 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0032680 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0032680 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0032680 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0032680 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0032680 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0032680 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0032680 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0032680 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0032680 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0032680 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0032680 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0032680 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0032680 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0032680 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0032680 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0032680 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0032680 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0032680 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0032680 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0032680 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0032680 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0032680 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0032680 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0032680 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0032680 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0032680 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0032680 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0032680 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0032680 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0032680 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0032680 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0032680 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0032680 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0032680 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0032680 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0032680 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0032680 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.0131731), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.0263463), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.0395194), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.0526926), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.0658657), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.0790388), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.0922120), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.1053851), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.1185582), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.1317314), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.1449045), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.1580777), wk = 0.0032680 k( 146) = ( 0.0000000 0.0000000 0.1712508), wk = 0.0032680 k( 147) = ( 0.0000000 0.0000000 0.1712508), wk = 0.0032680 k( 148) = ( 0.0000000 0.0131579 0.1712508), wk = 0.0032680 k( 149) = ( 0.0000000 0.0263158 0.1712508), wk = 0.0032680 k( 150) = ( 0.0000000 0.0394737 0.1712508), wk = 0.0032680 k( 151) = ( 0.0000000 0.0526316 0.1712508), wk = 0.0032680 k( 152) = ( 0.0000000 0.0657895 0.1712508), wk = 0.0032680 k( 153) = ( 0.0000000 0.0789474 0.1712508), wk = 0.0032680 k( 154) = ( 0.0000000 0.0921053 0.1712508), wk = 0.0032680 k( 155) = ( 0.0000000 0.1052632 0.1712508), wk = 0.0032680 k( 156) = ( 0.0000000 0.1184210 0.1712508), wk = 0.0032680 k( 157) = ( 0.0000000 0.1315790 0.1712508), wk = 0.0032680 k( 158) = ( 0.0000000 0.1447368 0.1712508), wk = 0.0032680 k( 159) = ( 0.0000000 0.1578947 0.1712508), wk = 0.0032680 k( 160) = ( 0.0000000 0.1710526 0.1712508), wk = 0.0032680 k( 161) = ( 0.0000000 0.1842105 0.1712508), wk = 0.0032680 k( 162) = ( 0.0000000 0.1973684 0.1712508), wk = 0.0032680 k( 163) = ( 0.0000000 0.2105263 0.1712508), wk = 0.0032680 k( 164) = ( 0.0000000 0.2236842 0.1712508), wk = 0.0032680 k( 165) = ( 0.0000000 0.2368421 0.1712508), wk = 0.0032680 k( 166) = ( 0.0000000 0.2500000 0.1712508), wk = 0.0032680 k( 167) = ( 0.0000000 0.2631579 0.1712508), wk = 0.0032680 k( 168) = ( 0.0000000 0.2763158 0.1712508), wk = 0.0032680 k( 169) = ( 0.0000000 0.2894737 0.1712508), wk = 0.0032680 k( 170) = ( 0.0000000 0.3026316 0.1712508), wk = 0.0032680 k( 171) = ( 0.0000000 0.3157895 0.1712508), wk = 0.0032680 k( 172) = ( 0.0000000 0.3289474 0.1712508), wk = 0.0032680 k( 173) = ( 0.0000000 0.3421053 0.1712508), wk = 0.0032680 k( 174) = ( 0.0000000 0.3552632 0.1712508), wk = 0.0032680 k( 175) = ( 0.0000000 0.3684211 0.1712508), wk = 0.0032680 k( 176) = ( 0.0000000 0.3815789 0.1712508), wk = 0.0032680 k( 177) = ( 0.0000000 0.3947368 0.1712508), wk = 0.0032680 k( 178) = ( 0.0000000 0.4078947 0.1712508), wk = 0.0032680 k( 179) = ( 0.0000000 0.4210526 0.1712508), wk = 0.0032680 k( 180) = ( 0.0000000 0.4342105 0.1712508), wk = 0.0032680 k( 181) = ( 0.0000000 0.4473684 0.1712508), wk = 0.0032680 k( 182) = ( 0.0000000 0.4605263 0.1712508), wk = 0.0032680 k( 183) = ( 0.0000000 0.4736842 0.1712508), wk = 0.0032680 k( 184) = ( 0.0000000 0.4868421 0.1712508), wk = 0.0032680 k( 185) = ( 0.0000000 0.5000000 0.1712508), wk = 0.0032680 k( 186) = ( 0.0000000 0.5000000 0.1712508), wk = 0.0032680 k( 187) = ( 0.0131579 0.5000000 0.1712508), wk = 0.0032680 k( 188) = ( 0.0263158 0.5000000 0.1712508), wk = 0.0032680 k( 189) = ( 0.0394737 0.5000000 0.1712508), wk = 0.0032680 k( 190) = ( 0.0526316 0.5000000 0.1712508), wk = 0.0032680 k( 191) = ( 0.0657895 0.5000000 0.1712508), wk = 0.0032680 k( 192) = ( 0.0789474 0.5000000 0.1712508), wk = 0.0032680 k( 193) = ( 0.0921053 0.5000000 0.1712508), wk = 0.0032680 k( 194) = ( 0.1052632 0.5000000 0.1712508), wk = 0.0032680 k( 195) = ( 0.1184210 0.5000000 0.1712508), wk = 0.0032680 k( 196) = ( 0.1315790 0.5000000 0.1712508), wk = 0.0032680 k( 197) = ( 0.1447368 0.5000000 0.1712508), wk = 0.0032680 k( 198) = ( 0.1578947 0.5000000 0.1712508), wk = 0.0032680 k( 199) = ( 0.1710526 0.5000000 0.1712508), wk = 0.0032680 k( 200) = ( 0.1842105 0.5000000 0.1712508), wk = 0.0032680 k( 201) = ( 0.1973684 0.5000000 0.1712508), wk = 0.0032680 k( 202) = ( 0.2105263 0.5000000 0.1712508), wk = 0.0032680 k( 203) = ( 0.2236842 0.5000000 0.1712508), wk = 0.0032680 k( 204) = ( 0.2368421 0.5000000 0.1712508), wk = 0.0032680 k( 205) = ( 0.2500000 0.5000000 0.1712508), wk = 0.0032680 k( 206) = ( 0.2631579 0.5000000 0.1712508), wk = 0.0032680 k( 207) = ( 0.2763158 0.5000000 0.1712508), wk = 0.0032680 k( 208) = ( 0.2894737 0.5000000 0.1712508), wk = 0.0032680 k( 209) = ( 0.3026316 0.5000000 0.1712508), wk = 0.0032680 k( 210) = ( 0.3157895 0.5000000 0.1712508), wk = 0.0032680 k( 211) = ( 0.3289474 0.5000000 0.1712508), wk = 0.0032680 k( 212) = ( 0.3421053 0.5000000 0.1712508), wk = 0.0032680 k( 213) = ( 0.3552632 0.5000000 0.1712508), wk = 0.0032680 k( 214) = ( 0.3684211 0.5000000 0.1712508), wk = 0.0032680 k( 215) = ( 0.3815789 0.5000000 0.1712508), wk = 0.0032680 k( 216) = ( 0.3947368 0.5000000 0.1712508), wk = 0.0032680 k( 217) = ( 0.4078947 0.5000000 0.1712508), wk = 0.0032680 k( 218) = ( 0.4210526 0.5000000 0.1712508), wk = 0.0032680 k( 219) = ( 0.4342105 0.5000000 0.1712508), wk = 0.0032680 k( 220) = ( 0.4473684 0.5000000 0.1712508), wk = 0.0032680 k( 221) = ( 0.4605263 0.5000000 0.1712508), wk = 0.0032680 k( 222) = ( 0.4736842 0.5000000 0.1712508), wk = 0.0032680 k( 223) = ( 0.4868421 0.5000000 0.1712508), wk = 0.0032680 k( 224) = ( 0.5000000 0.5000000 0.1712508), wk = 0.0032680 k( 225) = ( 0.5000000 0.5000000 0.1712508), wk = 0.0032680 k( 226) = ( 0.4905660 0.4905660 0.1712508), wk = 0.0032680 k( 227) = ( 0.4811321 0.4811321 0.1712508), wk = 0.0032680 k( 228) = ( 0.4716981 0.4716981 0.1712508), wk = 0.0032680 k( 229) = ( 0.4622641 0.4622641 0.1712508), wk = 0.0032680 k( 230) = ( 0.4528302 0.4528302 0.1712508), wk = 0.0032680 k( 231) = ( 0.4433962 0.4433962 0.1712508), wk = 0.0032680 k( 232) = ( 0.4339623 0.4339623 0.1712508), wk = 0.0032680 k( 233) = ( 0.4245283 0.4245283 0.1712508), wk = 0.0032680 k( 234) = ( 0.4150943 0.4150943 0.1712508), wk = 0.0032680 k( 235) = ( 0.4056604 0.4056604 0.1712508), wk = 0.0032680 k( 236) = ( 0.3962264 0.3962264 0.1712508), wk = 0.0032680 k( 237) = ( 0.3867925 0.3867924 0.1712508), wk = 0.0032680 k( 238) = ( 0.3773585 0.3773585 0.1712508), wk = 0.0032680 k( 239) = ( 0.3679245 0.3679245 0.1712508), wk = 0.0032680 k( 240) = ( 0.3584906 0.3584906 0.1712508), wk = 0.0032680 k( 241) = ( 0.3490566 0.3490566 0.1712508), wk = 0.0032680 k( 242) = ( 0.3396226 0.3396226 0.1712508), wk = 0.0032680 k( 243) = ( 0.3301887 0.3301887 0.1712508), wk = 0.0032680 k( 244) = ( 0.3207547 0.3207547 0.1712508), wk = 0.0032680 k( 245) = ( 0.3113207 0.3113207 0.1712508), wk = 0.0032680 k( 246) = ( 0.3018868 0.3018868 0.1712508), wk = 0.0032680 k( 247) = ( 0.2924528 0.2924528 0.1712508), wk = 0.0032680 k( 248) = ( 0.2830189 0.2830189 0.1712508), wk = 0.0032680 k( 249) = ( 0.2735849 0.2735849 0.1712508), wk = 0.0032680 k( 250) = ( 0.2641509 0.2641509 0.1712508), wk = 0.0032680 k( 251) = ( 0.2547170 0.2547170 0.1712508), wk = 0.0032680 k( 252) = ( 0.2452830 0.2452830 0.1712508), wk = 0.0032680 k( 253) = ( 0.2358491 0.2358491 0.1712508), wk = 0.0032680 k( 254) = ( 0.2264151 0.2264151 0.1712508), wk = 0.0032680 k( 255) = ( 0.2169811 0.2169811 0.1712508), wk = 0.0032680 k( 256) = ( 0.2075472 0.2075472 0.1712508), wk = 0.0032680 k( 257) = ( 0.1981132 0.1981132 0.1712508), wk = 0.0032680 k( 258) = ( 0.1886792 0.1886792 0.1712508), wk = 0.0032680 k( 259) = ( 0.1792453 0.1792453 0.1712508), wk = 0.0032680 k( 260) = ( 0.1698113 0.1698113 0.1712508), wk = 0.0032680 k( 261) = ( 0.1603774 0.1603774 0.1712508), wk = 0.0032680 k( 262) = ( 0.1509434 0.1509434 0.1712508), wk = 0.0032680 k( 263) = ( 0.1415094 0.1415094 0.1712508), wk = 0.0032680 k( 264) = ( 0.1320755 0.1320755 0.1712508), wk = 0.0032680 k( 265) = ( 0.1226415 0.1226415 0.1712508), wk = 0.0032680 k( 266) = ( 0.1132076 0.1132075 0.1712508), wk = 0.0032680 k( 267) = ( 0.1037736 0.1037736 0.1712508), wk = 0.0032680 k( 268) = ( 0.0943396 0.0943396 0.1712508), wk = 0.0032680 k( 269) = ( 0.0849057 0.0849057 0.1712508), wk = 0.0032680 k( 270) = ( 0.0754717 0.0754717 0.1712508), wk = 0.0032680 k( 271) = ( 0.0660377 0.0660377 0.1712508), wk = 0.0032680 k( 272) = ( 0.0566038 0.0566038 0.1712508), wk = 0.0032680 k( 273) = ( 0.0471698 0.0471698 0.1712508), wk = 0.0032680 k( 274) = ( 0.0377359 0.0377358 0.1712508), wk = 0.0032680 k( 275) = ( 0.0283019 0.0283019 0.1712508), wk = 0.0032680 k( 276) = ( 0.0188679 0.0188679 0.1712508), wk = 0.0032680 k( 277) = ( 0.0094340 0.0094340 0.1712508), wk = 0.0032680 k( 278) = ( 0.0000000 0.0000000 0.1712508), wk = 0.0032680 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 280) = ( 0.0000000 0.5000000 0.0131731), wk = 0.0032680 k( 281) = ( 0.0000000 0.5000000 0.0263463), wk = 0.0032680 k( 282) = ( 0.0000000 0.5000000 0.0395194), wk = 0.0032680 k( 283) = ( 0.0000000 0.5000000 0.0526926), wk = 0.0032680 k( 284) = ( 0.0000000 0.5000000 0.0658657), wk = 0.0032680 k( 285) = ( 0.0000000 0.5000000 0.0790388), wk = 0.0032680 k( 286) = ( 0.0000000 0.5000000 0.0922120), wk = 0.0032680 k( 287) = ( 0.0000000 0.5000000 0.1053851), wk = 0.0032680 k( 288) = ( 0.0000000 0.5000000 0.1185582), wk = 0.0032680 k( 289) = ( 0.0000000 0.5000000 0.1317314), wk = 0.0032680 k( 290) = ( 0.0000000 0.5000000 0.1449045), wk = 0.0032680 k( 291) = ( 0.0000000 0.5000000 0.1580777), wk = 0.0032680 k( 292) = ( 0.0000000 0.5000000 0.1712508), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.0131731), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.0263463), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.0395194), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.0526926), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.0658657), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.0790388), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.0922120), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.1053851), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.1185582), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.1317314), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.1449045), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.1580777), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.1712508), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0032680 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0032680 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0032680 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0032680 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0032680 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0032680 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0032680 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0032680 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0032680 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0032680 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0032680 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0032680 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0032680 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0032680 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0032680 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0032680 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032680 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0032680 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0032680 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0032680 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0032680 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0032680 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0032680 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0032680 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0032680 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0032680 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0032680 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0032680 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0032680 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0032680 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0032680 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0032680 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0032680 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0032680 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0032680 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0032680 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0032680 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0032680 k( 88) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0032680 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0032680 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0032680 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0032680 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0032680 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0032680 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0032680 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0032680 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0032680 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0032680 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0032680 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0032680 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0032680 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0032680 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0032680 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0032680 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0032680 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0032680 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0032680 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0032680 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0032680 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0032680 k( 110) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0032680 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0032680 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0032680 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0032680 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0032680 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0032680 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0032680 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0032680 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0032680 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0032680 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0032680 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0032680 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0032680 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0032680 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0032680 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0032680 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0032680 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0032680 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0032680 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0032680 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0032680 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0032680 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 148) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0032680 k( 149) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0032680 k( 150) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0032680 k( 151) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0032680 k( 152) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0032680 k( 153) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0032680 k( 154) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0032680 k( 155) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0032680 k( 156) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0032680 k( 157) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0032680 k( 158) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0032680 k( 159) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0032680 k( 160) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0032680 k( 161) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0032680 k( 162) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0032680 k( 163) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0032680 k( 164) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0032680 k( 165) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0032680 k( 166) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0032680 k( 167) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0032680 k( 168) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0032680 k( 169) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0032680 k( 170) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0032680 k( 171) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0032680 k( 172) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0032680 k( 173) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0032680 k( 174) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0032680 k( 175) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0032680 k( 176) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0032680 k( 177) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0032680 k( 178) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0032680 k( 179) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0032680 k( 180) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0032680 k( 181) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0032680 k( 182) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0032680 k( 183) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0032680 k( 184) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0032680 k( 185) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 187) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0032680 k( 188) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0032680 k( 189) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0032680 k( 190) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0032680 k( 191) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0032680 k( 192) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0032680 k( 193) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0032680 k( 194) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0032680 k( 195) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0032680 k( 196) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0032680 k( 197) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0032680 k( 198) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0032680 k( 199) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0032680 k( 200) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0032680 k( 201) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0032680 k( 202) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0032680 k( 203) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0032680 k( 204) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0032680 k( 205) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032680 k( 206) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0032680 k( 207) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0032680 k( 208) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0032680 k( 211) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0032680 k( 212) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0032680 k( 213) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0032680 k( 214) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0032680 k( 215) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0032680 k( 216) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0032680 k( 217) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0032680 k( 218) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0032680 k( 219) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0032680 k( 220) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0032680 k( 221) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0032680 k( 222) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0032680 k( 223) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0032680 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 226) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0032680 k( 227) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0032680 k( 228) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0032680 k( 229) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0032680 k( 230) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0032680 k( 231) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0032680 k( 232) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0032680 k( 233) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0032680 k( 234) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0032680 k( 235) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0032680 k( 236) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0032680 k( 237) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0032680 k( 238) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0032680 k( 239) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0032680 k( 240) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0032680 k( 241) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0032680 k( 242) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0032680 k( 243) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0032680 k( 244) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0032680 k( 245) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0032680 k( 246) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0032680 k( 247) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0032680 k( 248) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0032680 k( 249) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0032680 k( 250) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0032680 k( 251) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0032680 k( 252) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0032680 k( 253) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0032680 k( 254) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0032680 k( 255) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0032680 k( 256) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0032680 k( 257) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0032680 k( 258) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0032680 k( 259) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0032680 k( 260) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0032680 k( 261) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0032680 k( 262) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0032680 k( 263) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0032680 k( 264) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0032680 k( 265) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0032680 k( 266) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0032680 k( 267) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0032680 k( 268) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0032680 k( 269) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0032680 k( 270) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0032680 k( 271) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0032680 k( 272) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0032680 k( 273) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0032680 k( 274) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0032680 k( 275) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0032680 k( 276) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0032680 k( 277) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0032680 k( 278) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 280) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0032680 k( 281) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0032680 k( 282) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0032680 k( 283) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0032680 k( 284) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0032680 k( 285) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0032680 k( 286) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0032680 k( 287) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0032680 k( 288) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0032680 k( 289) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0032680 k( 290) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0032680 k( 291) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0032680 k( 292) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.1538462), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 Dense grid: 97877 G-vectors FFT dimensions: ( 45, 45, 120) Smooth grid: 66051 G-vectors FFT dimensions: ( 36, 36, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 346, 48) NL pseudopotentials 0.25 Mb ( 173, 96) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2042) G-vector shells 0.01 Mb ( 958) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 346, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SnSe.save/charge-density.dat negative rho (up, down): 3.904E-04 0.000E+00 Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.5 secs Computing kpt #: 4 total cpu time spent up to now is 48.6 secs Computing kpt #: 5 total cpu time spent up to now is 50.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.1 secs Computing kpt #: 7 total cpu time spent up to now is 55.9 secs Computing kpt #: 8 total cpu time spent up to now is 58.5 secs Computing kpt #: 9 total cpu time spent up to now is 61.2 secs Computing kpt #: 10 total cpu time spent up to now is 63.6 secs Computing kpt #: 11 total cpu time spent up to now is 65.7 secs Computing kpt #: 12 total cpu time spent up to now is 67.9 secs Computing kpt #: 13 total cpu time spent up to now is 70.1 secs Computing kpt #: 14 total cpu time spent up to now is 72.3 secs Computing kpt #: 15 total cpu time spent up to now is 74.6 secs Computing kpt #: 16 total cpu time spent up to now is 77.2 secs Computing kpt #: 17 total cpu time spent up to now is 79.2 secs Computing kpt #: 18 total cpu time spent up to now is 81.6 secs Computing kpt #: 19 total cpu time spent up to now is 84.3 secs Computing kpt #: 20 total cpu time spent up to now is 87.4 secs Computing kpt #: 21 total cpu time spent up to now is 89.2 secs Computing kpt #: 22 total cpu time spent up to now is 91.1 secs Computing kpt #: 23 total cpu time spent up to now is 92.9 secs Computing kpt #: 24 total cpu time spent up to now is 94.6 secs Computing kpt #: 25 total cpu time spent up to now is 96.5 secs Computing kpt #: 26 total cpu time spent up to now is 98.3 secs Computing kpt #: 27 total cpu time spent up to now is 100.1 secs Computing kpt #: 28 total cpu time spent up to now is 101.9 secs Computing kpt #: 29 total cpu time spent up to now is 103.7 secs Computing kpt #: 30 total cpu time spent up to now is 105.5 secs Computing kpt #: 31 total cpu time spent up to now is 107.7 secs Computing kpt #: 32 total cpu time spent up to now is 109.8 secs Computing kpt #: 33 total cpu time spent up to now is 111.8 secs Computing kpt #: 34 total cpu time spent up to now is 113.7 secs Computing kpt #: 35 total cpu time spent up to now is 115.5 secs Computing kpt #: 36 total cpu time spent up to now is 117.3 secs Computing kpt #: 37 total cpu time spent up to now is 119.1 secs Computing kpt #: 38 total cpu time spent up to now is 120.7 secs Computing kpt #: 39 total cpu time spent up to now is 122.5 secs Computing kpt #: 40 total cpu time spent up to now is 124.1 secs Computing kpt #: 41 total cpu time spent up to now is 125.9 secs Computing kpt #: 42 total cpu time spent up to now is 127.7 secs Computing kpt #: 43 total cpu time spent up to now is 129.4 secs Computing kpt #: 44 total cpu time spent up to now is 131.3 secs Computing kpt #: 45 total cpu time spent up to now is 133.1 secs Computing kpt #: 46 total cpu time spent up to now is 134.9 secs Computing kpt #: 47 total cpu time spent up to now is 136.8 secs Computing kpt #: 48 total cpu time spent up to now is 138.7 secs Computing kpt #: 49 total cpu time spent up to now is 140.5 secs Computing kpt #: 50 total cpu time spent up to now is 142.3 secs Computing kpt #: 51 total cpu time spent up to now is 144.1 secs Computing kpt #: 52 total cpu time spent up to now is 145.9 secs Computing kpt #: 53 total cpu time spent up to now is 147.7 secs Computing kpt #: 54 total cpu time spent up to now is 149.5 secs Computing kpt #: 55 total cpu time spent up to now is 151.3 secs Computing kpt #: 56 total cpu time spent up to now is 153.1 secs Computing kpt #: 57 total cpu time spent up to now is 154.8 secs Computing kpt #: 58 total cpu time spent up to now is 156.7 secs Computing kpt #: 59 total cpu time spent up to now is 158.4 secs Computing kpt #: 60 total cpu time spent up to now is 160.2 secs Computing kpt #: 61 total cpu time spent up to now is 162.3 secs Computing kpt #: 62 total cpu time spent up to now is 164.3 secs Computing kpt #: 63 total cpu time spent up to now is 166.2 secs Computing kpt #: 64 total cpu time spent up to now is 168.1 secs Computing kpt #: 65 total cpu time spent up to now is 170.2 secs Computing kpt #: 66 total cpu time spent up to now is 172.3 secs Computing kpt #: 67 total cpu time spent up to now is 174.4 secs Computing kpt #: 68 total cpu time spent up to now is 176.6 secs Computing kpt #: 69 total cpu time spent up to now is 178.7 secs Computing kpt #: 70 total cpu time spent up to now is 180.8 secs Computing kpt #: 71 total cpu time spent up to now is 182.9 secs Computing kpt #: 72 total cpu time spent up to now is 184.9 secs Computing kpt #: 73 total cpu time spent up to now is 186.8 secs Computing kpt #: 74 total cpu time spent up to now is 188.7 secs Computing kpt #: 75 total cpu time spent up to now is 190.6 secs Computing kpt #: 76 total cpu time spent up to now is 192.9 secs Computing kpt #: 77 total cpu time spent up to now is 194.8 secs Computing kpt #: 78 total cpu time spent up to now is 196.7 secs Computing kpt #: 79 total cpu time spent up to now is 198.7 secs Computing kpt #: 80 total cpu time spent up to now is 200.6 secs Computing kpt #: 81 total cpu time spent up to now is 202.4 secs Computing kpt #: 82 total cpu time spent up to now is 204.4 secs Computing kpt #: 83 total cpu time spent up to now is 206.4 secs Computing kpt #: 84 total cpu time spent up to now is 208.5 secs Computing kpt #: 85 total cpu time spent up to now is 210.7 secs Computing kpt #: 86 total cpu time spent up to now is 212.9 secs Computing kpt #: 87 total cpu time spent up to now is 215.4 secs Computing kpt #: 88 total cpu time spent up to now is 217.7 secs Computing kpt #: 89 total cpu time spent up to now is 219.9 secs Computing kpt #: 90 total cpu time spent up to now is 222.2 secs Computing kpt #: 91 total cpu time spent up to now is 224.4 secs Computing kpt #: 92 total cpu time spent up to now is 226.7 secs Computing kpt #: 93 total cpu time spent up to now is 229.2 secs Computing kpt #: 94 total cpu time spent up to now is 231.6 secs Computing kpt #: 95 total cpu time spent up to now is 234.3 secs Computing kpt #: 96 total cpu time spent up to now is 237.0 secs Computing kpt #: 97 total cpu time spent up to now is 239.8 secs Computing kpt #: 98 total cpu time spent up to now is 242.3 secs Computing kpt #: 99 total cpu time spent up to now is 244.8 secs Computing kpt #: 100 total cpu time spent up to now is 247.0 secs Computing kpt #: 101 total cpu time spent up to now is 249.4 secs Computing kpt #: 102 total cpu time spent up to now is 251.7 secs Computing kpt #: 103 total cpu time spent up to now is 254.2 secs Computing kpt #: 104 total cpu time spent up to now is 256.5 secs Computing kpt #: 105 total cpu time spent up to now is 259.0 secs Computing kpt #: 106 total cpu time spent up to now is 261.4 secs Computing kpt #: 107 total cpu time spent up to now is 263.9 secs Computing kpt #: 108 total cpu time spent up to now is 266.4 secs Computing kpt #: 109 total cpu time spent up to now is 268.7 secs Computing kpt #: 110 total cpu time spent up to now is 271.0 secs Computing kpt #: 111 total cpu time spent up to now is 273.3 secs Computing kpt #: 112 total cpu time spent up to now is 275.6 secs Computing kpt #: 113 total cpu time spent up to now is 278.1 secs Computing kpt #: 114 total cpu time spent up to now is 280.4 secs Computing kpt #: 115 total cpu time spent up to now is 282.6 secs Computing kpt #: 116 total cpu time spent up to now is 284.8 secs Computing kpt #: 117 total cpu time spent up to now is 287.0 secs Computing kpt #: 118 total cpu time spent up to now is 289.2 secs Computing kpt #: 119 total cpu time spent up to now is 291.7 secs Computing kpt #: 120 total cpu time spent up to now is 294.3 secs Computing kpt #: 121 total cpu time spent up to now is 296.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.4 secs Computing kpt #: 123 total cpu time spent up to now is 304.1 secs Computing kpt #: 124 total cpu time spent up to now is 306.7 secs Computing kpt #: 125 total cpu time spent up to now is 309.4 secs Computing kpt #: 126 total cpu time spent up to now is 311.9 secs Computing kpt #: 127 total cpu time spent up to now is 314.5 secs Computing kpt #: 128 total cpu time spent up to now is 316.6 secs Computing kpt #: 129 total cpu time spent up to now is 318.7 secs Computing kpt #: 130 total cpu time spent up to now is 321.0 secs Computing kpt #: 131 total cpu time spent up to now is 323.0 secs Computing kpt #: 132 total cpu time spent up to now is 325.0 secs Computing kpt #: 133 total cpu time spent up to now is 326.9 secs Computing kpt #: 134 total cpu time spent up to now is 328.8 secs Computing kpt #: 135 total cpu time spent up to now is 330.9 secs Computing kpt #: 136 total cpu time spent up to now is 332.9 secs Computing kpt #: 137 total cpu time spent up to now is 334.8 secs Computing kpt #: 138 total cpu time spent up to now is 336.8 secs Computing kpt #: 139 total cpu time spent up to now is 338.9 secs Computing kpt #: 140 total cpu time spent up to now is 340.9 secs Computing kpt #: 141 total cpu time spent up to now is 343.0 secs Computing kpt #: 142 total cpu time spent up to now is 345.1 secs Computing kpt #: 143 total cpu time spent up to now is 347.4 secs Computing kpt #: 144 total cpu time spent up to now is 349.6 secs Computing kpt #: 145 total cpu time spent up to now is 351.8 secs Computing kpt #: 146 total cpu time spent up to now is 354.1 secs Computing kpt #: 147 total cpu time spent up to now is 356.3 secs Computing kpt #: 148 total cpu time spent up to now is 358.6 secs Computing kpt #: 149 total cpu time spent up to now is 360.9 secs Computing kpt #: 150 total cpu time spent up to now is 363.1 secs Computing kpt #: 151 total cpu time spent up to now is 365.5 secs Computing kpt #: 152 total cpu time spent up to now is 367.8 secs Computing kpt #: 153 total cpu time spent up to now is 370.4 secs Computing kpt #: 154 total cpu time spent up to now is 372.9 secs Computing kpt #: 155 total cpu time spent up to now is 375.6 secs Computing kpt #: 156 total cpu time spent up to now is 378.8 secs Computing kpt #: 157 total cpu time spent up to now is 381.3 secs Computing kpt #: 158 total cpu time spent up to now is 384.4 secs Computing kpt #: 159 total cpu time spent up to now is 388.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.3 secs Computing kpt #: 161 total cpu time spent up to now is 396.2 secs Computing kpt #: 162 total cpu time spent up to now is 398.7 secs Computing kpt #: 163 total cpu time spent up to now is 400.9 secs Computing kpt #: 164 total cpu time spent up to now is 402.9 secs Computing kpt #: 165 total cpu time spent up to now is 404.8 secs Computing kpt #: 166 total cpu time spent up to now is 406.7 secs Computing kpt #: 167 total cpu time spent up to now is 408.5 secs Computing kpt #: 168 total cpu time spent up to now is 410.4 secs Computing kpt #: 169 total cpu time spent up to now is 412.1 secs Computing kpt #: 170 total cpu time spent up to now is 413.9 secs Computing kpt #: 171 total cpu time spent up to now is 415.8 secs Computing kpt #: 172 total cpu time spent up to now is 417.5 secs Computing kpt #: 173 total cpu time spent up to now is 419.3 secs Computing kpt #: 174 total cpu time spent up to now is 421.1 secs Computing kpt #: 175 total cpu time spent up to now is 422.9 secs Computing kpt #: 176 total cpu time spent up to now is 424.7 secs Computing kpt #: 177 total cpu time spent up to now is 426.6 secs Computing kpt #: 178 total cpu time spent up to now is 428.5 secs Computing kpt #: 179 total cpu time spent up to now is 430.5 secs Computing kpt #: 180 total cpu time spent up to now is 432.3 secs Computing kpt #: 181 total cpu time spent up to now is 434.1 secs Computing kpt #: 182 total cpu time spent up to now is 435.9 secs Computing kpt #: 183 total cpu time spent up to now is 437.7 secs Computing kpt #: 184 total cpu time spent up to now is 439.5 secs Computing kpt #: 185 total cpu time spent up to now is 441.1 secs Computing kpt #: 186 total cpu time spent up to now is 442.8 secs Computing kpt #: 187 total cpu time spent up to now is 444.7 secs Computing kpt #: 188 total cpu time spent up to now is 446.5 secs Computing kpt #: 189 total cpu time spent up to now is 448.2 secs Computing kpt #: 190 total cpu time spent up to now is 450.1 secs Computing kpt #: 191 total cpu time spent up to now is 451.9 secs Computing kpt #: 192 total cpu time spent up to now is 453.7 secs Computing kpt #: 193 total cpu time spent up to now is 455.6 secs Computing kpt #: 194 total cpu time spent up to now is 457.4 secs Computing kpt #: 195 total cpu time spent up to now is 459.2 secs Computing kpt #: 196 total cpu time spent up to now is 461.0 secs Computing kpt #: 197 total cpu time spent up to now is 462.8 secs Computing kpt #: 198 total cpu time spent up to now is 464.5 secs Computing kpt #: 199 total cpu time spent up to now is 466.3 secs Computing kpt #: 200 total cpu time spent up to now is 468.0 secs Computing kpt #: 201 total cpu time spent up to now is 469.9 secs Computing kpt #: 202 total cpu time spent up to now is 471.6 secs Computing kpt #: 203 total cpu time spent up to now is 473.5 secs Computing kpt #: 204 total cpu time spent up to now is 475.4 secs Computing kpt #: 205 total cpu time spent up to now is 477.1 secs Computing kpt #: 206 total cpu time spent up to now is 478.9 secs Computing kpt #: 207 total cpu time spent up to now is 480.7 secs Computing kpt #: 208 total cpu time spent up to now is 482.6 secs Computing kpt #: 209 total cpu time spent up to now is 484.4 secs Computing kpt #: 210 total cpu time spent up to now is 486.4 secs Computing kpt #: 211 total cpu time spent up to now is 488.4 secs Computing kpt #: 212 total cpu time spent up to now is 490.4 secs Computing kpt #: 213 total cpu time spent up to now is 492.6 secs Computing kpt #: 214 total cpu time spent up to now is 494.7 secs Computing kpt #: 215 total cpu time spent up to now is 496.8 secs Computing kpt #: 216 total cpu time spent up to now is 499.0 secs Computing kpt #: 217 total cpu time spent up to now is 501.0 secs Computing kpt #: 218 total cpu time spent up to now is 503.1 secs Computing kpt #: 219 total cpu time spent up to now is 505.3 secs Computing kpt #: 220 total cpu time spent up to now is 507.4 secs Computing kpt #: 221 total cpu time spent up to now is 509.6 secs Computing kpt #: 222 total cpu time spent up to now is 511.8 secs Computing kpt #: 223 total cpu time spent up to now is 514.0 secs Computing kpt #: 224 total cpu time spent up to now is 516.1 secs Computing kpt #: 225 total cpu time spent up to now is 518.2 secs Computing kpt #: 226 total cpu time spent up to now is 520.3 secs Computing kpt #: 227 total cpu time spent up to now is 522.6 secs Computing kpt #: 228 total cpu time spent up to now is 524.8 secs Computing kpt #: 229 total cpu time spent up to now is 526.9 secs Computing kpt #: 230 total cpu time spent up to now is 529.3 secs Computing kpt #: 231 total cpu time spent up to now is 531.5 secs Computing kpt #: 232 total cpu time spent up to now is 533.7 secs Computing kpt #: 233 total cpu time spent up to now is 536.0 secs Computing kpt #: 234 total cpu time spent up to now is 538.3 secs Computing kpt #: 235 total cpu time spent up to now is 540.6 secs Computing kpt #: 236 total cpu time spent up to now is 542.8 secs Computing kpt #: 237 total cpu time spent up to now is 545.1 secs Computing kpt #: 238 total cpu time spent up to now is 547.4 secs Computing kpt #: 239 total cpu time spent up to now is 549.8 secs Computing kpt #: 240 total cpu time spent up to now is 552.5 secs Computing kpt #: 241 total cpu time spent up to now is 555.4 secs Computing kpt #: 242 total cpu time spent up to now is 558.4 secs Computing kpt #: 243 total cpu time spent up to now is 561.4 secs Computing kpt #: 244 total cpu time spent up to now is 563.9 secs Computing kpt #: 245 total cpu time spent up to now is 566.6 secs Computing kpt #: 246 total cpu time spent up to now is 569.1 secs Computing kpt #: 247 total cpu time spent up to now is 571.5 secs Computing kpt #: 248 total cpu time spent up to now is 573.9 secs Computing kpt #: 249 total cpu time spent up to now is 576.5 secs Computing kpt #: 250 total cpu time spent up to now is 579.0 secs Computing kpt #: 251 total cpu time spent up to now is 581.9 secs Computing kpt #: 252 total cpu time spent up to now is 584.8 secs Computing kpt #: 253 total cpu time spent up to now is 587.9 secs Computing kpt #: 254 total cpu time spent up to now is 591.6 secs Computing kpt #: 255 total cpu time spent up to now is 595.1 secs Computing kpt #: 256 total cpu time spent up to now is 598.6 secs Computing kpt #: 257 total cpu time spent up to now is 602.2 secs Computing kpt #: 258 total cpu time spent up to now is 605.7 secs Computing kpt #: 259 total cpu time spent up to now is 608.8 secs Computing kpt #: 260 total cpu time spent up to now is 611.7 secs Computing kpt #: 261 total cpu time spent up to now is 614.7 secs Computing kpt #: 262 total cpu time spent up to now is 617.6 secs Computing kpt #: 263 total cpu time spent up to now is 620.6 secs Computing kpt #: 264 total cpu time spent up to now is 623.2 secs Computing kpt #: 265 total cpu time spent up to now is 625.7 secs Computing kpt #: 266 total cpu time spent up to now is 628.2 secs Computing kpt #: 267 total cpu time spent up to now is 630.7 secs Computing kpt #: 268 total cpu time spent up to now is 633.4 secs Computing kpt #: 269 total cpu time spent up to now is 637.7 secs Computing kpt #: 270 total cpu time spent up to now is 640.8 secs Computing kpt #: 271 total cpu time spent up to now is 643.5 secs Computing kpt #: 272 total cpu time spent up to now is 646.1 secs Computing kpt #: 273 total cpu time spent up to now is 648.4 secs Computing kpt #: 274 total cpu time spent up to now is 650.7 secs Computing kpt #: 275 total cpu time spent up to now is 653.1 secs Computing kpt #: 276 total cpu time spent up to now is 655.4 secs Computing kpt #: 277 total cpu time spent up to now is 657.7 secs Computing kpt #: 278 total cpu time spent up to now is 660.0 secs Computing kpt #: 279 total cpu time spent up to now is 661.8 secs Computing kpt #: 280 total cpu time spent up to now is 663.6 secs Computing kpt #: 281 total cpu time spent up to now is 665.1 secs Computing kpt #: 282 total cpu time spent up to now is 666.8 secs Computing kpt #: 283 total cpu time spent up to now is 668.3 secs Computing kpt #: 284 total cpu time spent up to now is 670.1 secs Computing kpt #: 285 total cpu time spent up to now is 671.7 secs Computing kpt #: 286 total cpu time spent up to now is 673.5 secs Computing kpt #: 287 total cpu time spent up to now is 675.1 secs Computing kpt #: 288 total cpu time spent up to now is 676.8 secs Computing kpt #: 289 total cpu time spent up to now is 678.6 secs Computing kpt #: 290 total cpu time spent up to now is 680.2 secs Computing kpt #: 291 total cpu time spent up to now is 681.9 secs Computing kpt #: 292 total cpu time spent up to now is 683.7 secs Computing kpt #: 293 total cpu time spent up to now is 685.6 secs Computing kpt #: 294 total cpu time spent up to now is 687.5 secs Computing kpt #: 295 total cpu time spent up to now is 689.4 secs Computing kpt #: 296 total cpu time spent up to now is 691.3 secs Computing kpt #: 297 total cpu time spent up to now is 693.3 secs Computing kpt #: 298 total cpu time spent up to now is 695.3 secs Computing kpt #: 299 total cpu time spent up to now is 697.5 secs Computing kpt #: 300 total cpu time spent up to now is 699.6 secs Computing kpt #: 301 total cpu time spent up to now is 701.7 secs Computing kpt #: 302 total cpu time spent up to now is 703.9 secs Computing kpt #: 303 total cpu time spent up to now is 706.0 secs Computing kpt #: 304 total cpu time spent up to now is 708.1 secs Computing kpt #: 305 total cpu time spent up to now is 710.3 secs Computing kpt #: 306 total cpu time spent up to now is 712.4 secs ethr = 2.50E-11, avg # of iterations = 37.7 total cpu time spent up to now is 712.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8291 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0880 -2.0880 -1.5277 -1.5277 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7129 1.7129 2.8314 2.8314 4.7275 4.7275 5.4888 5.4888 5.7369 5.7369 k = 0.0000 0.0132-0.0000 ( 8277 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8400 -11.8400 -10.4135 -10.4135 -4.8994 -4.8994 -2.9032 -2.9032 -2.0875 -2.0875 -1.5259 -1.5259 -1.2645 -1.2645 -0.0529 -0.0529 0.2664 0.2664 1.7111 1.7111 2.8331 2.8331 4.7285 4.7285 5.4927 5.4927 5.7271 5.7271 k = 0.0000 0.0263-0.0000 ( 8273 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0247 -19.0247 -19.0184 -19.0184 -19.0169 -19.0169 -11.8373 -11.8373 -10.4133 -10.4133 -4.9069 -4.9069 -2.9177 -2.9177 -2.0861 -2.0861 -1.5205 -1.5205 -1.2595 -1.2595 -0.0442 -0.0442 0.2747 0.2747 1.7057 1.7057 2.8381 2.8381 4.7313 4.7313 5.5043 5.5043 5.6983 5.6983 k = 0.0000 0.0395-0.0000 ( 8269 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8328 -11.8328 -10.4129 -10.4129 -4.9193 -4.9193 -2.9416 -2.9416 -2.0834 -2.0834 -1.5117 -1.5117 -1.2512 -1.2512 -0.0304 -0.0304 0.2889 0.2889 1.6968 1.6968 2.8464 2.8464 4.7358 4.7358 5.5234 5.5234 5.6515 5.6515 k = 0.0000 0.0526-0.0000 ( 8255 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0544 -20.0544 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0245 -19.0245 -19.0184 -19.0184 -19.0169 -19.0169 -11.8265 -11.8265 -10.4124 -10.4124 -4.9364 -4.9364 -2.9746 -2.9746 -2.0791 -2.0791 -1.4995 -1.4995 -1.2396 -1.2396 -0.0123 -0.0123 0.3092 0.3092 1.6842 1.6842 2.8580 2.8580 4.7418 4.7418 5.5494 5.5494 5.5889 5.5889 k = 0.0000 0.0658-0.0000 ( 8247 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0244 -19.0244 -19.0185 -19.0185 -19.0169 -19.0169 -11.8185 -11.8185 -10.4117 -10.4117 -4.9579 -4.9579 -3.0163 -3.0163 -2.0731 -2.0731 -1.4839 -1.4839 -1.2248 -1.2248 0.0090 0.0090 0.3358 0.3358 1.6682 1.6682 2.8729 2.8729 4.7486 4.7486 5.5129 5.5129 5.5818 5.5818 k = 0.0000 0.0789-0.0000 ( 8253 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0631 -19.0631 -19.0266 -19.0266 -19.0243 -19.0243 -19.0185 -19.0185 -19.0169 -19.0169 -11.8086 -11.8086 -10.4111 -10.4111 -4.9834 -4.9834 -3.0662 -3.0662 -2.0649 -2.0649 -1.4652 -1.4652 -1.2067 -1.2067 0.0324 0.0324 0.3690 0.3690 1.6487 1.6487 2.8909 2.8909 4.7553 4.7553 5.4270 5.4270 5.6192 5.6192 k = 0.0000 0.0921-0.0000 ( 8251 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0528 -20.0528 -19.0631 -19.0631 -19.0631 -19.0631 -19.0266 -19.0266 -19.0241 -19.0241 -19.0186 -19.0186 -19.0168 -19.0168 -11.7971 -11.7971 -10.4104 -10.4104 -5.0127 -5.0127 -3.1235 -3.1235 -2.0543 -2.0543 -1.4434 -1.4434 -1.1855 -1.1855 0.0571 0.0571 0.4087 0.4087 1.6258 1.6258 2.9120 2.9120 4.7600 4.7600 5.3351 5.3351 5.6601 5.6601 k = 0.0000 0.1053-0.0000 ( 8253 PWs) bands (ev): -20.0903 -20.0903 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0631 -19.0631 -19.0630 -19.0630 -19.0266 -19.0266 -19.0240 -19.0240 -19.0187 -19.0187 -19.0168 -19.0168 -11.7838 -11.7838 -10.4097 -10.4097 -5.0453 -5.0453 -3.1875 -3.1875 -2.0413 -2.0413 -1.4188 -1.4188 -1.1611 -1.1611 0.0823 0.0823 0.4546 0.4546 1.5997 1.5997 2.9361 2.9361 4.7593 4.7593 5.2427 5.2427 5.6806 5.6806 k = 0.0000 0.1184-0.0000 ( 8257 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0630 -19.0630 -19.0630 -19.0630 -19.0267 -19.0267 -19.0238 -19.0238 -19.0188 -19.0188 -19.0168 -19.0168 -11.7688 -11.7688 -10.4092 -10.4092 -5.0807 -5.0807 -3.2574 -3.2574 -2.0256 -2.0256 -1.3914 -1.3914 -1.1338 -1.1338 0.1078 0.1078 0.5062 0.5062 1.5704 1.5704 2.9631 2.9631 4.7468 4.7468 5.1579 5.1579 5.5780 5.5780 k = 0.0000 0.1316-0.0000 ( 8261 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0630 -19.0630 -19.0629 -19.0629 -19.0267 -19.0267 -19.0236 -19.0236 -19.0189 -19.0189 -19.0168 -19.0168 -11.7521 -11.7521 -10.4089 -10.4089 -5.1184 -5.1184 -3.3325 -3.3325 -2.0073 -2.0073 -1.3614 -1.3614 -1.1035 -1.1035 0.1333 0.1333 0.5627 0.5627 1.5381 1.5381 2.9930 2.9930 4.7125 4.7125 5.0918 5.0918 5.4729 5.4729 k = 0.0000 0.1447-0.0000 ( 8257 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0629 -19.0629 -19.0629 -19.0629 -19.0267 -19.0267 -19.0234 -19.0234 -19.0190 -19.0190 -19.0167 -19.0167 -11.7337 -11.7337 -10.4088 -10.4088 -5.1581 -5.1581 -3.4118 -3.4118 -1.9864 -1.9864 -1.3290 -1.3290 -1.0705 -1.0705 0.1588 0.1588 0.6233 0.6233 1.5031 1.5031 3.0254 3.0254 4.6485 4.6486 5.0524 5.0524 5.3673 5.3673 k = 0.0000 0.1579-0.0000 ( 8243 PWs) bands (ev): -20.0901 -20.0901 -20.0887 -20.0887 -20.0540 -20.0540 -20.0526 -20.0526 -19.0628 -19.0628 -19.0628 -19.0628 -19.0267 -19.0267 -19.0231 -19.0231 -19.0191 -19.0191 -19.0167 -19.0167 -11.7137 -11.7137 -10.4092 -10.4092 -5.1992 -5.1992 -3.4948 -3.4948 -1.9629 -1.9629 -1.2941 -1.2941 -1.0348 -1.0348 0.1842 0.1842 0.6871 0.6871 1.4655 1.4655 3.0605 3.0605 4.5581 4.5581 5.0348 5.0348 5.2651 5.2651 k = 0.0000 0.1711-0.0000 ( 8241 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0540 -20.0540 -20.0526 -20.0526 -19.0628 -19.0628 -19.0627 -19.0627 -19.0267 -19.0267 -19.0229 -19.0229 -19.0192 -19.0192 -19.0166 -19.0166 -11.6922 -11.6922 -10.4099 -10.4099 -5.2412 -5.2412 -3.5807 -3.5807 -1.9368 -1.9368 -1.2570 -1.2570 -0.9966 -0.9966 0.2096 0.2096 0.7532 0.7532 1.4259 1.4259 3.0978 3.0978 4.4507 4.4507 5.0189 5.0189 5.1784 5.1784 k = 0.0000 0.1842-0.0000 ( 8245 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0539 -20.0539 -20.0525 -20.0525 -19.0627 -19.0627 -19.0627 -19.0627 -19.0267 -19.0267 -19.0227 -19.0227 -19.0194 -19.0194 -19.0165 -19.0165 -11.6691 -11.6691 -10.4113 -10.4113 -5.2836 -5.2836 -3.6690 -3.6690 -1.9082 -1.9082 -1.2178 -1.2178 -0.9560 -0.9560 0.2349 0.2349 0.8204 0.8204 1.3849 1.3849 3.1373 3.1373 4.3342 4.3342 4.9679 4.9679 5.1380 5.1380 k = 0.0000 0.1974-0.0000 ( 8237 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0538 -20.0538 -20.0525 -20.0525 -19.0626 -19.0626 -19.0626 -19.0626 -19.0267 -19.0267 -19.0224 -19.0224 -19.0196 -19.0196 -19.0165 -19.0165 -11.6445 -11.6445 -10.4133 -10.4133 -5.3259 -5.3259 -3.7589 -3.7589 -1.8773 -1.8773 -1.1764 -1.1764 -0.9133 -0.9133 0.2601 0.2601 0.8875 0.8875 1.3434 1.3434 3.1785 3.1785 4.2134 4.2134 4.8785 4.8785 5.1438 5.1438 k = 0.0000 0.2105-0.0000 ( 8231 PWs) bands (ev): -20.0899 -20.0899 -20.0886 -20.0886 -20.0537 -20.0537 -20.0524 -20.0524 -19.0626 -19.0626 -19.0625 -19.0625 -19.0267 -19.0266 -19.0222 -19.0222 -19.0197 -19.0197 -19.0164 -19.0164 -11.6184 -11.6184 -10.4160 -10.4160 -5.3678 -5.3678 -3.8501 -3.8501 -1.8439 -1.8439 -1.1330 -1.1330 -0.8687 -0.8687 0.2849 0.2849 0.9520 0.9520 1.3036 1.3036 3.2209 3.2209 4.0915 4.0915 4.7771 4.7771 5.1682 5.1682 k = 0.0000 0.2237-0.0000 ( 8239 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0537 -20.0537 -20.0524 -20.0524 -19.0625 -19.0625 -19.0625 -19.0625 -19.0266 -19.0266 -19.0219 -19.0219 -19.0199 -19.0199 -19.0163 -19.0163 -11.5910 -11.5910 -10.4197 -10.4197 -5.4087 -5.4087 -3.9421 -3.9421 -1.8083 -1.8083 -1.0876 -1.0876 -0.8225 -0.8225 0.3093 0.3093 1.0087 1.0087 1.2705 1.2705 3.2635 3.2635 3.9710 3.9710 4.6736 4.6736 5.2003 5.2003 k = 0.0000 0.2368-0.0000 ( 8236 PWs) bands (ev): -20.0898 -20.0898 -20.0885 -20.0885 -20.0536 -20.0536 -20.0523 -20.0523 -19.0625 -19.0625 -19.0624 -19.0624 -19.0266 -19.0266 -19.0216 -19.0216 -19.0200 -19.0200 -19.0163 -19.0163 -11.5622 -11.5622 -10.4244 -10.4244 -5.4482 -5.4482 -4.0344 -4.0344 -1.7704 -1.7704 -1.0404 -1.0404 -0.7748 -0.7748 0.3329 0.3329 1.0458 1.0458 1.2558 1.2558 3.3042 3.3042 3.8553 3.8553 4.5714 4.5714 5.2366 5.2366 k = 0.0000 0.2500-0.0000 ( 8230 PWs) bands (ev): -20.0898 -20.0898 -20.0885 -20.0885 -20.0535 -20.0535 -20.0523 -20.0523 -19.0624 -19.0624 -19.0624 -19.0624 -19.0265 -19.0265 -19.0214 -19.0214 -19.0202 -19.0202 -19.0162 -19.0162 -11.5321 -11.5321 -10.4301 -10.4301 -5.4859 -5.4859 -4.1266 -4.1266 -1.7303 -1.7303 -0.9913 -0.9913 -0.7260 -0.7260 0.3556 0.3556 1.0482 1.0482 1.2745 1.2745 3.3381 3.3381 3.7500 3.7500 4.4723 4.4723 5.2734 5.2734 k = 0.0000 0.2632-0.0000 ( 8234 PWs) bands (ev): -20.0897 -20.0897 -20.0885 -20.0885 -20.0534 -20.0534 -20.0522 -20.0522 -19.0623 -19.0623 -19.0623 -19.0623 -19.0265 -19.0265 -19.0212 -19.0212 -19.0203 -19.0203 -19.0161 -19.0161 -11.5008 -11.5008 -10.4371 -10.4371 -5.5214 -5.5214 -4.2185 -4.2185 -1.6882 -1.6882 -0.9406 -0.9406 -0.6764 -0.6764 0.3768 0.3768 1.0215 1.0215 1.3208 1.3208 3.3532 3.3532 3.6681 3.6681 4.3773 4.3773 5.2004 5.2004 k = 0.0000 0.2763-0.0000 ( 8228 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0533 -20.0533 -20.0522 -20.0522 -19.0623 -19.0623 -19.0622 -19.0622 -19.0264 -19.0264 -19.0210 -19.0210 -19.0204 -19.0204 -19.0161 -19.0161 -11.4684 -11.4684 -10.4455 -10.4455 -5.5544 -5.5544 -4.3096 -4.3096 -1.6440 -1.6440 -0.8883 -0.8883 -0.6266 -0.6266 0.3964 0.3964 0.9817 0.9817 1.3788 1.3788 3.3287 3.3287 3.6308 3.6308 4.2878 4.2878 5.0948 5.0948 k = 0.0000 0.2895-0.0000 ( 8216 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0532 -20.0532 -20.0521 -20.0521 -19.0622 -19.0622 -19.0622 -19.0622 -19.0263 -19.0263 -19.0211 -19.0211 -19.0203 -19.0203 -19.0160 -19.0160 -11.4348 -11.4348 -10.4552 -10.4552 -5.5845 -5.5845 -4.3996 -4.3996 -1.5979 -1.5979 -0.8346 -0.8346 -0.5771 -0.5771 0.4140 0.4140 0.9371 0.9371 1.4395 1.4395 3.2627 3.2627 3.6407 3.6407 4.2048 4.2048 4.9871 4.9871 k = 0.0000 0.3026-0.0000 ( 8216 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0532 -20.0532 -20.0521 -20.0521 -19.0622 -19.0622 -19.0621 -19.0621 -19.0262 -19.0262 -19.0212 -19.0212 -19.0200 -19.0200 -19.0160 -19.0160 -11.4003 -11.4003 -10.4665 -10.4665 -5.6114 -5.6114 -4.4883 -4.4883 -1.5498 -1.5498 -0.7796 -0.7796 -0.5285 -0.5285 0.4292 0.4292 0.8916 0.8916 1.4989 1.4989 3.1777 3.1777 3.6755 3.6755 4.1304 4.1304 4.8783 4.8783 k = 0.0000 0.3158-0.0000 ( 8204 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0531 -20.0531 -20.0520 -20.0520 -19.0621 -19.0621 -19.0621 -19.0621 -19.0261 -19.0261 -19.0214 -19.0214 -19.0198 -19.0198 -19.0159 -19.0159 -11.3649 -11.3649 -10.4794 -10.4794 -5.6348 -5.6348 -4.5754 -4.5754 -1.5000 -1.5000 -0.7238 -0.7238 -0.4817 -0.4817 0.4418 0.4418 0.8473 0.8473 1.5541 1.5541 3.0900 3.0900 3.7184 3.7184 4.0674 4.0674 4.7689 4.7689 k = 0.0000 0.3289-0.0000 ( 8210 PWs) bands (ev): -20.0894 -20.0894 -20.0885 -20.0885 -20.0530 -20.0530 -20.0520 -20.0520 -19.0621 -19.0621 -19.0621 -19.0621 -19.0260 -19.0260 -19.0216 -19.0216 -19.0195 -19.0195 -19.0159 -19.0159 -11.3287 -11.3287 -10.4939 -10.4939 -5.6545 -5.6545 -4.6607 -4.6607 -1.4485 -1.4485 -0.6673 -0.6673 -0.4376 -0.4376 0.4517 0.4517 0.8058 0.8058 1.6024 1.6024 3.0076 3.0076 3.7580 3.7580 4.0218 4.0218 4.6597 4.6597 k = 0.0000 0.3421-0.0000 ( 8212 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0529 -20.0529 -20.0520 -20.0520 -19.0621 -19.0621 -19.0620 -19.0620 -19.0259 -19.0259 -19.0217 -19.0217 -19.0192 -19.0192 -19.0158 -19.0158 -11.2918 -11.2918 -10.5102 -10.5102 -5.6702 -5.6702 -4.7440 -4.7440 -1.3954 -1.3954 -0.6111 -0.6111 -0.3972 -0.3972 0.4590 0.4590 0.7685 0.7685 1.6410 1.6410 2.9357 2.9357 3.7812 3.7812 4.0048 4.0048 4.5513 4.5513 k = 0.0000 0.3553-0.0000 ( 8226 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0528 -20.0528 -20.0519 -20.0519 -19.0620 -19.0620 -19.0620 -19.0620 -19.0258 -19.0258 -19.0219 -19.0219 -19.0190 -19.0190 -19.0158 -19.0158 -11.2542 -11.2542 -10.5282 -10.5282 -5.6818 -5.6818 -4.8249 -4.8249 -1.3407 -1.3407 -0.5561 -0.5561 -0.3610 -0.3610 0.4637 0.4637 0.7368 0.7368 1.6665 1.6665 2.8784 2.8784 3.7797 3.7797 4.0231 4.0231 4.4448 4.4448 k = 0.0000 0.3684-0.0000 ( 8226 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0527 -20.0527 -20.0519 -20.0519 -19.0620 -19.0620 -19.0620 -19.0620 -19.0256 -19.0256 -19.0221 -19.0221 -19.0187 -19.0187 -19.0158 -19.0158 -11.2162 -11.2162 -10.5480 -10.5480 -5.6890 -5.6890 -4.9033 -4.9033 -1.2847 -1.2847 -0.5046 -0.5046 -0.3290 -0.3290 0.4659 0.4659 0.7124 0.7124 1.6762 1.6762 2.8394 2.8394 3.7631 3.7631 4.0644 4.0644 4.3434 4.3434 k = 0.0000 0.3816-0.0000 ( 8214 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0526 -20.0526 -20.0519 -20.0519 -19.0620 -19.0620 -19.0619 -19.0619 -19.0255 -19.0255 -19.0223 -19.0223 -19.0184 -19.0184 -19.0158 -19.0158 -11.1778 -11.1778 -10.5695 -10.5695 -5.6917 -5.6917 -4.9790 -4.9790 -1.2274 -1.2274 -0.4610 -0.4610 -0.2985 -0.2985 0.4648 0.4648 0.6975 0.6975 1.6681 1.6681 2.8209 2.8209 3.7446 3.7446 4.1016 4.1016 4.2613 4.2613 k = 0.0000 0.3947-0.0000 ( 8212 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0525 -20.0525 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0254 -19.0254 -19.0225 -19.0225 -19.0182 -19.0182 -19.0159 -19.0158 -11.1391 -11.1391 -10.5929 -10.5929 -5.6899 -5.6899 -5.0517 -5.0517 -1.1689 -1.1689 -0.4318 -0.4318 -0.2642 -0.2642 0.4585 0.4585 0.6949 0.6949 1.6419 1.6419 2.8234 2.8234 3.7306 3.7306 4.0722 4.0722 4.2544 4.2544 k = 0.0000 0.4079-0.0000 ( 8218 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0525 -20.0525 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0252 -19.0252 -19.0227 -19.0227 -19.0179 -19.0179 -19.0159 -19.0159 -11.1003 -11.1003 -10.6180 -10.6180 -5.6834 -5.6834 -5.1214 -5.1214 -1.1096 -1.1096 -0.4222 -0.4222 -0.2213 -0.2213 0.4450 0.4450 0.7068 0.7068 1.5994 1.5994 2.8453 2.8453 3.7242 3.7242 3.9855 3.9855 4.3110 4.3110 k = 0.0000 0.4211-0.0000 ( 8228 PWs) bands (ev): -20.0890 -20.0890 -20.0885 -20.0885 -20.0524 -20.0524 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0251 -19.0251 -19.0229 -19.0229 -19.0177 -19.0177 -19.0159 -19.0159 -11.0615 -11.0615 -10.6447 -10.6447 -5.6723 -5.6723 -5.1877 -5.1877 -1.0494 -1.0494 -0.4312 -0.4312 -0.1705 -0.1705 0.4235 0.4235 0.7336 0.7336 1.5438 1.5438 2.8839 2.8839 3.7265 3.7265 3.8878 3.8878 4.3818 4.3818 k = 0.0000 0.4342-0.0000 ( 8218 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0523 -20.0523 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0249 -19.0249 -19.0231 -19.0231 -19.0175 -19.0175 -19.0160 -19.0160 -11.0228 -11.0228 -10.6731 -10.6731 -5.6564 -5.6564 -5.2507 -5.2506 -0.9888 -0.9888 -0.4549 -0.4549 -0.1149 -0.1149 0.3946 0.3946 0.7736 0.7736 1.4784 1.4784 2.9358 2.9358 3.7374 3.7374 3.7891 3.7891 4.3120 4.3120 k = 0.0000 0.4474-0.0000 ( 8218 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0523 -20.0523 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0247 -19.0247 -19.0233 -19.0233 -19.0173 -19.0172 -19.0161 -19.0161 -10.9843 -10.9843 -10.7030 -10.7030 -5.6359 -5.6359 -5.3099 -5.3099 -0.9278 -0.9278 -0.4893 -0.4893 -0.0569 -0.0569 0.3592 0.3592 0.8244 0.8244 1.4063 1.4063 2.9982 2.9982 3.6887 3.6887 3.7601 3.7601 4.2243 4.2243 k = 0.0000 0.4605-0.0000 ( 8230 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0522 -20.0522 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0246 -19.0246 -19.0235 -19.0235 -19.0171 -19.0170 -19.0162 -19.0162 -10.9463 -10.9463 -10.7344 -10.7344 -5.6106 -5.6106 -5.3654 -5.3654 -0.8669 -0.8669 -0.5318 -0.5318 0.0016 0.0016 0.3185 0.3185 0.8838 0.8838 1.3301 1.3301 3.0689 3.0689 3.5919 3.5919 3.7898 3.7898 4.1419 4.1419 k = 0.0000 0.4737-0.0000 ( 8226 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0244 -19.0244 -19.0237 -19.0237 -19.0169 -19.0169 -19.0163 -19.0163 -10.9088 -10.9088 -10.7671 -10.7671 -5.5808 -5.5808 -5.4169 -5.4169 -0.8064 -0.8064 -0.5801 -0.5801 0.0597 0.0597 0.2732 0.2732 0.9500 0.9500 1.2520 1.2520 3.1459 3.1459 3.4969 3.4969 3.8288 3.8288 4.0653 4.0653 k = 0.0000 0.4868-0.0000 ( 8226 PWs) bands (ev): -20.0888 -20.0888 -20.0887 -20.0887 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0242 -19.0242 -19.0239 -19.0239 -19.0167 -19.0167 -19.0164 -19.0164 -10.8720 -10.8720 -10.8010 -10.8010 -5.5464 -5.5464 -5.4643 -5.4643 -0.7469 -0.7469 -0.6329 -0.6329 0.1166 0.1166 0.2240 0.2240 1.0212 1.0212 1.1735 1.1735 3.2281 3.2281 3.4042 3.4042 3.8764 3.8764 3.9952 3.9952 k = 0.0000 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6888 -0.6888 -0.6888 -0.6888 0.1716 0.1716 0.1716 0.1716 1.0962 1.0962 1.0962 1.0962 3.3144 3.3144 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6888 -0.6888 -0.6888 -0.6888 0.1716 0.1716 0.1716 0.1716 1.0962 1.0962 1.0962 1.0962 3.3144 3.3144 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0132 0.5000-0.0000 ( 8222 PWs) bands (ev): -20.0888 -20.0888 -20.0887 -20.0887 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0165 -19.0165 -10.8356 -10.8356 -10.8355 -10.8355 -5.5064 -5.5064 -5.5062 -5.5062 -0.6960 -0.6959 -0.6845 -0.6845 0.1490 0.1490 0.1644 0.1644 1.1039 1.1039 1.1067 1.1067 3.2857 3.2857 3.3023 3.3024 3.9535 3.9535 3.9630 3.9631 k = 0.0263 0.5000-0.0000 ( 8230 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0165 -19.0165 -10.8341 -10.8341 -10.8340 -10.8339 -5.5028 -5.5028 -5.5023 -5.5023 -0.7065 -0.7065 -0.6830 -0.6830 0.0994 0.0994 0.1302 0.1302 1.1267 1.1267 1.1319 1.1320 3.2274 3.2274 3.2591 3.2591 4.0162 4.0162 4.0375 4.0375 k = 0.0395 0.5000-0.0000 ( 8224 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0620 -19.0620 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0164 -19.0164 -10.8316 -10.8316 -10.8314 -10.8314 -5.4968 -5.4968 -5.4960 -5.4960 -0.7215 -0.7215 -0.6848 -0.6848 0.0297 0.0297 0.0762 0.0762 1.1566 1.1566 1.1641 1.1641 3.1584 3.1584 3.2040 3.2040 4.1020 4.1020 4.1371 4.1371 k = 0.0526 0.5000-0.0000 ( 8212 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0621 -19.0621 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0164 -19.0164 -10.8281 -10.8281 -10.8278 -10.8278 -5.4883 -5.4882 -5.4872 -5.4872 -0.7423 -0.7423 -0.6911 -0.6911 -0.0522 -0.0522 0.0109 0.0109 1.1841 1.1841 1.1938 1.1938 3.0935 3.0935 3.1526 3.1526 4.1975 4.1976 4.2474 4.2475 k = 0.0658 0.5000-0.0000 ( 8204 PWs) bands (ev): -20.0890 -20.0890 -20.0885 -20.0885 -20.0521 -20.0521 -20.0520 -20.0520 -19.0621 -19.0621 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0163 -19.0163 -10.8236 -10.8236 -10.8233 -10.8233 -5.4773 -5.4773 -5.4760 -5.4760 -0.7711 -0.7711 -0.7040 -0.7040 -0.1388 -0.1388 -0.0581 -0.0581 1.2004 1.2004 1.2127 1.2127 3.0427 3.0427 3.1152 3.1152 4.2952 4.2952 4.3588 4.3588 k = 0.0789 0.5000-0.0000 ( 8204 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0622 -19.0622 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0163 -19.0163 -10.8182 -10.8182 -10.8179 -10.8179 -5.4638 -5.4638 -5.4624 -5.4623 -0.8101 -0.8101 -0.7272 -0.7271 -0.2225 -0.2225 -0.1242 -0.1242 1.1991 1.1991 1.2141 1.2141 3.0122 3.0122 3.0981 3.0981 4.3907 4.3907 4.4638 4.4638 k = 0.0921 0.5000-0.0000 ( 8208 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0623 -19.0623 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0162 -19.0162 -10.8119 -10.8119 -10.8115 -10.8115 -5.4480 -5.4480 -5.4463 -5.4463 -0.8614 -0.8613 -0.7652 -0.7652 -0.2957 -0.2957 -0.1823 -0.1823 1.1763 1.1763 1.1939 1.1939 3.0055 3.0055 3.1046 3.1046 4.4821 4.4821 4.5576 4.5576 k = 0.1053 0.5000-0.0000 ( 8220 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0624 -19.0624 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0162 -19.0162 -10.8046 -10.8046 -10.8042 -10.8042 -5.4297 -5.4297 -5.4278 -5.4278 -0.9259 -0.9259 -0.8223 -0.8223 -0.3525 -0.3525 -0.2296 -0.2296 1.1312 1.1312 1.1512 1.1512 3.0230 3.0230 3.1347 3.1347 4.5692 4.5692 4.6383 4.6383 k = 0.1184 0.5000-0.0000 ( 8212 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0625 -19.0625 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0161 -19.0161 -10.7966 -10.7966 -10.7961 -10.7961 -5.4090 -5.4090 -5.4069 -5.4069 -1.0030 -1.0030 -0.8988 -0.8988 -0.3911 -0.3911 -0.2651 -0.2651 1.0656 1.0656 1.0876 1.0877 3.0623 3.0623 3.1862 3.1862 4.6526 4.6526 4.7079 4.7079 k = 0.1316 0.5000-0.0000 ( 8218 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0520 -20.0520 -20.0518 -20.0518 -19.0626 -19.0626 -19.0620 -19.0620 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0160 -19.0160 -10.7877 -10.7877 -10.7872 -10.7872 -5.3860 -5.3860 -5.3836 -5.3836 -1.0909 -1.0909 -0.9910 -0.9909 -0.4142 -0.4142 -0.2899 -0.2899 0.9826 0.9826 1.0065 1.0065 3.1197 3.1197 3.2552 3.2552 4.7336 4.7336 4.7703 4.7703 k = 0.1447 0.5000-0.0000 ( 8228 PWs) bands (ev): -20.0894 -20.0894 -20.0885 -20.0885 -20.0520 -20.0520 -20.0518 -20.0518 -19.0628 -19.0628 -19.0621 -19.0621 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0160 -19.0160 -10.7781 -10.7781 -10.7775 -10.7775 -5.3606 -5.3606 -5.3581 -5.3581 -1.1868 -1.1868 -1.0936 -1.0936 -0.4264 -0.4264 -0.3056 -0.3056 0.8857 0.8857 0.9116 0.9116 3.1908 3.1908 3.3377 3.3377 4.8134 4.8134 4.8291 4.8291 k = 0.1579 0.5000-0.0000 ( 8228 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0519 -20.0519 -20.0518 -20.0518 -19.0629 -19.0629 -19.0621 -19.0621 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0159 -19.0159 -10.7677 -10.7677 -10.7671 -10.7671 -5.3329 -5.3329 -5.3302 -5.3302 -1.2884 -1.2883 -1.2024 -1.2024 -0.4316 -0.4316 -0.3142 -0.3142 0.7784 0.7784 0.8067 0.8067 3.2717 3.2717 3.4296 3.4296 4.8872 4.8873 4.8931 4.8931 k = 0.1711 0.5000-0.0000 ( 8236 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0519 -20.0519 -20.0517 -20.0517 -19.0630 -19.0630 -19.0622 -19.0622 -19.0239 -19.0239 -19.0239 -19.0239 -19.0166 -19.0166 -19.0158 -19.0158 -10.7568 -10.7568 -10.7561 -10.7561 -5.3030 -5.3030 -5.3001 -5.3001 -1.3935 -1.3934 -1.3144 -1.3144 -0.4326 -0.4326 -0.3173 -0.3173 0.6637 0.6637 0.6952 0.6952 3.3590 3.3590 3.5276 3.5276 4.9464 4.9464 4.9734 4.9734 k = 0.1842 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0519 -20.0519 -20.0517 -20.0517 -19.0632 -19.0632 -19.0623 -19.0623 -19.0239 -19.0239 -19.0239 -19.0239 -19.0166 -19.0166 -19.0157 -19.0157 -10.7452 -10.7452 -10.7446 -10.7446 -5.2708 -5.2708 -5.2678 -5.2678 -1.5005 -1.5005 -1.4277 -1.4277 -0.4312 -0.4312 -0.3164 -0.3164 0.5439 0.5439 0.5798 0.5798 3.4500 3.4500 3.6288 3.6288 5.0076 5.0076 5.0545 5.0545 k = 0.1974 0.5000-0.0000 ( 8242 PWs) bands (ev): -20.0897 -20.0897 -20.0886 -20.0886 -20.0518 -20.0518 -20.0517 -20.0517 -19.0633 -19.0633 -19.0625 -19.0625 -19.0239 -19.0239 -19.0239 -19.0239 -19.0165 -19.0165 -19.0157 -19.0157 -10.7332 -10.7332 -10.7325 -10.7325 -5.2365 -5.2365 -5.2334 -5.2333 -1.6081 -1.6081 -1.5409 -1.5409 -0.4291 -0.4291 -0.3124 -0.3124 0.4211 0.4211 0.4631 0.4631 3.5427 3.5427 3.7311 3.7311 5.0712 5.0712 5.1365 5.1365 k = 0.2105 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0897 -20.0897 -20.0886 -20.0886 -20.0518 -20.0518 -20.0516 -20.0516 -19.0634 -19.0634 -19.0626 -19.0626 -19.0239 -19.0239 -19.0239 -19.0239 -19.0165 -19.0165 -19.0156 -19.0156 -10.7207 -10.7207 -10.7200 -10.7200 -5.2000 -5.2000 -5.1968 -5.1968 -1.7156 -1.7156 -1.6532 -1.6532 -0.4279 -0.4279 -0.3064 -0.3064 0.2969 0.2969 0.3474 0.3475 3.6355 3.6355 3.8327 3.8327 5.1372 5.1372 5.2188 5.2188 k = 0.2237 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0898 -20.0898 -20.0886 -20.0886 -20.0518 -20.0518 -20.0516 -20.0516 -19.0636 -19.0636 -19.0627 -19.0627 -19.0239 -19.0239 -19.0239 -19.0239 -19.0164 -19.0164 -19.0155 -19.0155 -10.7078 -10.7078 -10.7071 -10.7071 -5.1615 -5.1615 -5.1582 -5.1582 -1.8220 -1.8220 -1.7640 -1.7640 -0.4296 -0.4295 -0.2993 -0.2993 0.1730 0.1730 0.2357 0.2357 3.7274 3.7274 3.9323 3.9323 5.2052 5.2052 5.3005 5.3005 k = 0.2368 0.5000-0.0000 ( 8242 PWs) bands (ev): -20.0899 -20.0899 -20.0887 -20.0887 -20.0517 -20.0517 -20.0516 -20.0516 -19.0637 -19.0637 -19.0629 -19.0629 -19.0239 -19.0239 -19.0238 -19.0238 -19.0163 -19.0163 -19.0154 -19.0154 -10.6947 -10.6947 -10.6940 -10.6940 -5.1211 -5.1210 -5.1177 -5.1177 -1.9269 -1.9269 -1.8728 -1.8728 -0.4370 -0.4369 -0.2928 -0.2928 0.0516 0.0516 0.1312 0.1312 3.8177 3.8177 4.0290 4.0291 5.2743 5.2743 5.3806 5.3806 k = 0.2500 0.5000-0.0000 ( 8248 PWs) bands (ev): -20.0899 -20.0899 -20.0887 -20.0887 -20.0517 -20.0517 -20.0515 -20.0515 -19.0639 -19.0639 -19.0630 -19.0630 -19.0239 -19.0239 -19.0238 -19.0238 -19.0162 -19.0162 -19.0153 -19.0153 -10.6814 -10.6814 -10.6807 -10.6807 -5.0787 -5.0787 -5.0754 -5.0754 -2.0298 -2.0298 -1.9791 -1.9791 -0.4542 -0.4542 -0.2909 -0.2909 -0.0630 -0.0629 0.0387 0.0387 3.9060 3.9060 4.1224 4.1224 5.3433 5.3433 5.4575 5.4575 k = 0.2632 0.5000-0.0000 ( 8248 PWs) bands (ev): -20.0900 -20.0900 -20.0888 -20.0888 -20.0517 -20.0517 -20.0515 -20.0515 -19.0640 -19.0640 -19.0632 -19.0632 -19.0239 -19.0239 -19.0238 -19.0238 -19.0162 -19.0162 -19.0152 -19.0152 -10.6680 -10.6680 -10.6673 -10.6673 -5.0346 -5.0346 -5.0313 -5.0313 -2.1304 -2.1303 -2.0828 -2.0828 -0.4866 -0.4866 -0.3083 -0.3083 -0.1554 -0.1554 -0.0361 -0.0360 3.9920 3.9920 4.2122 4.2122 5.4108 5.4108 5.5295 5.5295 k = 0.2763 0.5000-0.0000 ( 8256 PWs) bands (ev): -20.0900 -20.0900 -20.0888 -20.0888 -20.0516 -20.0516 -20.0514 -20.0514 -19.0642 -19.0642 -19.0633 -19.0633 -19.0238 -19.0238 -19.0238 -19.0238 -19.0161 -19.0161 -19.0151 -19.0151 -10.6546 -10.6546 -10.6539 -10.6538 -4.9889 -4.9889 -4.9856 -4.9856 -2.2283 -2.2283 -2.1836 -2.1836 -0.5379 -0.5379 -0.3747 -0.3746 -0.1958 -0.1958 -0.0890 -0.0889 4.0757 4.0757 4.2983 4.2983 5.4750 5.4750 5.5946 5.5946 k = 0.2895 0.5000-0.0000 ( 8260 PWs) bands (ev): -20.0901 -20.0901 -20.0889 -20.0889 -20.0516 -20.0516 -20.0514 -20.0514 -19.0643 -19.0643 -19.0635 -19.0635 -19.0238 -19.0238 -19.0237 -19.0237 -19.0160 -19.0160 -19.0150 -19.0150 -10.6413 -10.6413 -10.6405 -10.6405 -4.9416 -4.9416 -4.9385 -4.9385 -2.3234 -2.3234 -2.2814 -2.2814 -0.6070 -0.6070 -0.4748 -0.4748 -0.1991 -0.1991 -0.1206 -0.1206 4.1571 4.1571 4.3807 4.3807 5.5342 5.5342 5.6509 5.6509 k = 0.3026 0.5000-0.0000 ( 8256 PWs) bands (ev): -20.0901 -20.0901 -20.0890 -20.0890 -20.0515 -20.0515 -20.0514 -20.0514 -19.0645 -19.0645 -19.0636 -19.0636 -19.0238 -19.0238 -19.0237 -19.0237 -19.0159 -19.0159 -19.0149 -19.0149 -10.6281 -10.6281 -10.6274 -10.6274 -4.8930 -4.8930 -4.8900 -4.8900 -2.4154 -2.4154 -2.3759 -2.3759 -0.6886 -0.6886 -0.5823 -0.5823 -0.1912 -0.1912 -0.1362 -0.1362 4.2362 4.2362 4.4597 4.4597 5.5862 5.5862 5.6966 5.6966 k = 0.3158 0.5000-0.0000 ( 8264 PWs) bands (ev): -20.0901 -20.0901 -20.0890 -20.0890 -20.0515 -20.0515 -20.0513 -20.0513 -19.0646 -19.0646 -19.0638 -19.0638 -19.0238 -19.0238 -19.0237 -19.0237 -19.0158 -19.0158 -19.0148 -19.0148 -10.6152 -10.6152 -10.6145 -10.6145 -4.8432 -4.8432 -4.8404 -4.8404 -2.5042 -2.5042 -2.4670 -2.4670 -0.7768 -0.7768 -0.6893 -0.6893 -0.1798 -0.1798 -0.1411 -0.1411 4.3132 4.3132 4.5355 4.5355 5.6291 5.6291 5.7306 5.7306 k = 0.3289 0.5000-0.0000 ( 8256 PWs) bands (ev): -20.0902 -20.0902 -20.0891 -20.0891 -20.0515 -20.0515 -20.0513 -20.0513 -19.0648 -19.0648 -19.0640 -19.0640 -19.0238 -19.0238 -19.0237 -19.0237 -19.0156 -19.0156 -19.0148 -19.0148 -10.6027 -10.6027 -10.6020 -10.6020 -4.7926 -4.7926 -4.7899 -4.7899 -2.5896 -2.5896 -2.5547 -2.5547 -0.8670 -0.8670 -0.7933 -0.7933 -0.1671 -0.1671 -0.1396 -0.1396 4.3881 4.3881 4.6081 4.6081 5.6614 5.6614 5.7523 5.7523 k = 0.3421 0.5000-0.0000 ( 8252 PWs) bands (ev): -20.0902 -20.0902 -20.0892 -20.0892 -20.0514 -20.0514 -20.0513 -20.0513 -19.0649 -19.0649 -19.0641 -19.0641 -19.0238 -19.0238 -19.0237 -19.0237 -19.0155 -19.0155 -19.0147 -19.0147 -10.5906 -10.5906 -10.5900 -10.5900 -4.7412 -4.7412 -4.7389 -4.7389 -2.6715 -2.6715 -2.6388 -2.6388 -0.9564 -0.9563 -0.8932 -0.8932 -0.1540 -0.1540 -0.1342 -0.1342 4.4610 4.4610 4.6776 4.6776 5.6821 5.6821 5.7626 5.7626 k = 0.3553 0.5000-0.0000 ( 8260 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0513 -20.0513 -19.0650 -19.0650 -19.0643 -19.0643 -19.0237 -19.0237 -19.0236 -19.0236 -19.0154 -19.0154 -19.0146 -19.0146 -10.5791 -10.5791 -10.5785 -10.5785 -4.6896 -4.6896 -4.6875 -4.6875 -2.7497 -2.7496 -2.7191 -2.7191 -1.0429 -1.0429 -0.9880 -0.9880 -0.1409 -0.1409 -0.1266 -0.1266 4.5319 4.5320 4.7441 4.7441 5.6915 5.6915 5.7628 5.7628 k = 0.3684 0.5000-0.0000 ( 8266 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0512 -20.0512 -19.0651 -19.0651 -19.0645 -19.0645 -19.0237 -19.0237 -19.0236 -19.0236 -19.0153 -19.0153 -19.0146 -19.0146 -10.5682 -10.5682 -10.5677 -10.5677 -4.6380 -4.6380 -4.6363 -4.6363 -2.8239 -2.8239 -2.7956 -2.7956 -1.1252 -1.1252 -1.0772 -1.0772 -0.1282 -0.1282 -0.1179 -0.1179 4.6008 4.6008 4.8073 4.8073 5.6909 5.6909 5.7550 5.7550 k = 0.3816 0.5000-0.0000 ( 8262 PWs) bands (ev): -20.0902 -20.0902 -20.0894 -20.0894 -20.0513 -20.0513 -20.0512 -20.0512 -19.0652 -19.0652 -19.0646 -19.0646 -19.0237 -19.0237 -19.0236 -19.0236 -19.0152 -19.0152 -19.0145 -19.0145 -10.5581 -10.5581 -10.5576 -10.5576 -4.5869 -4.5869 -4.5856 -4.5856 -2.8941 -2.8940 -2.8679 -2.8679 -1.2022 -1.2022 -1.1603 -1.1602 -0.1161 -0.1161 -0.1087 -0.1087 4.6676 4.6676 4.8670 4.8670 5.6825 5.6825 5.7414 5.7414 k = 0.3947 0.5000-0.0000 ( 8262 PWs) bands (ev): -20.0902 -20.0902 -20.0895 -20.0895 -20.0513 -20.0513 -20.0512 -20.0512 -19.0653 -19.0653 -19.0648 -19.0648 -19.0237 -19.0237 -19.0236 -19.0236 -19.0151 -19.0151 -19.0145 -19.0145 -10.5488 -10.5488 -10.5483 -10.5483 -4.5370 -4.5370 -4.5360 -4.5360 -2.9597 -2.9597 -2.9359 -2.9359 -1.2731 -1.2731 -1.2366 -1.2365 -0.1048 -0.1048 -0.0995 -0.0995 4.7320 4.7320 4.9227 4.9227 5.6689 5.6689 5.7240 5.7240 k = 0.4079 0.5000-0.0000 ( 8256 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0513 -20.0513 -20.0512 -20.0512 -19.0654 -19.0654 -19.0649 -19.0649 -19.0237 -19.0237 -19.0236 -19.0236 -19.0150 -19.0150 -19.0144 -19.0144 -10.5404 -10.5404 -10.5399 -10.5399 -4.4888 -4.4888 -4.4882 -4.4882 -3.0206 -3.0206 -2.9992 -2.9991 -1.3372 -1.3372 -1.3056 -1.3056 -0.0945 -0.0945 -0.0907 -0.0907 4.7938 4.7938 4.9736 4.9737 5.6523 5.6523 5.7044 5.7044 k = 0.4211 0.5000-0.0000 ( 8260 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0512 -20.0512 -20.0512 -20.0512 -19.0655 -19.0655 -19.0650 -19.0650 -19.0237 -19.0237 -19.0236 -19.0236 -19.0149 -19.0149 -19.0144 -19.0144 -10.5329 -10.5329 -10.5325 -10.5325 -4.4434 -4.4434 -4.4431 -4.4431 -3.0760 -3.0760 -3.0571 -3.0571 -1.3938 -1.3937 -1.3669 -1.3669 -0.0852 -0.0852 -0.0826 -0.0826 4.8526 4.8526 5.0189 5.0189 5.6347 5.6348 5.6839 5.6839 k = 0.4342 0.5000-0.0000 ( 8260 PWs) bands (ev): -20.0902 -20.0902 -20.0897 -20.0897 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0651 -19.0651 -19.0236 -19.0236 -19.0236 -19.0236 -19.0148 -19.0148 -19.0144 -19.0144 -10.5265 -10.5265 -10.5262 -10.5262 -4.4016 -4.4016 -4.4015 -4.4015 -3.1254 -3.1253 -3.1091 -3.1091 -1.4423 -1.4423 -1.4200 -1.4200 -0.0772 -0.0772 -0.0754 -0.0754 4.9078 4.9078 5.0573 5.0573 5.6179 5.6179 5.6636 5.6636 k = 0.4474 0.5000-0.0000 ( 8264 PWs) bands (ev): -20.0902 -20.0902 -20.0898 -20.0898 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0652 -19.0652 -19.0236 -19.0236 -19.0236 -19.0236 -19.0147 -19.0147 -19.0144 -19.0144 -10.5211 -10.5211 -10.5209 -10.5209 -4.3648 -4.3648 -4.3646 -4.3646 -3.1677 -3.1676 -3.1543 -3.1543 -1.4823 -1.4822 -1.4645 -1.4645 -0.0705 -0.0705 -0.0693 -0.0693 4.9589 4.9589 5.0873 5.0873 5.6034 5.6034 5.6442 5.6442 k = 0.4605 0.5000-0.0000 ( 8248 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0653 -19.0653 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5169 -10.5169 -10.5167 -10.5167 -4.3342 -4.3342 -4.3339 -4.3339 -3.2019 -3.2019 -3.1917 -3.1916 -1.5133 -1.5133 -1.5000 -1.5000 -0.0652 -0.0652 -0.0645 -0.0645 5.0050 5.0050 5.1076 5.1076 5.5926 5.5926 5.6265 5.6265 k = 0.4737 0.5000-0.0000 ( 8270 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0654 -19.0654 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5139 -10.5139 -10.5138 -10.5138 -4.3110 -4.3110 -4.3106 -4.3106 -3.2270 -3.2269 -3.2200 -3.2200 -1.5351 -1.5351 -1.5262 -1.5262 -0.0614 -0.0614 -0.0609 -0.0609 5.0449 5.0449 5.1169 5.1169 5.5864 5.5864 5.6111 5.6111 k = 0.4868 0.5000-0.0000 ( 8280 PWs) bands (ev): -20.0901 -20.0901 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5120 -10.5120 -10.5120 -10.5120 -4.2964 -4.2964 -4.2962 -4.2962 -3.2418 -3.2417 -3.2382 -3.2382 -1.5474 -1.5474 -1.5430 -1.5429 -0.0590 -0.0590 -0.0588 -0.0588 5.0775 5.0775 5.1147 5.1147 5.5855 5.5856 5.5986 5.5986 k = 0.5000 0.5000-0.0000 ( 8288 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0582 -0.0582 -0.0582 -0.0582 5.1012 5.1012 5.1012 5.1012 5.5898 5.5898 5.5898 5.5898 k = 0.5000 0.5000-0.0000 ( 8288 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0582 -0.0582 -0.0582 -0.0582 5.1012 5.1012 5.1012 5.1012 5.5898 5.5898 5.5898 5.5898 k = 0.4906 0.4906-0.0000 ( 8272 PWs) bands (ev): -20.0901 -20.0901 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5129 -10.5129 -10.5111 -10.5111 -4.2966 -4.2966 -4.2962 -4.2962 -3.2447 -3.2447 -3.2349 -3.2349 -1.5495 -1.5495 -1.5406 -1.5406 -0.0608 -0.0608 -0.0571 -0.0571 5.0763 5.0763 5.1156 5.1156 5.5853 5.5853 5.5990 5.5990 k = 0.4811 0.4811-0.0000 ( 8266 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0654 -19.0654 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5173 -10.5173 -10.5104 -10.5104 -4.3121 -4.3121 -4.3103 -4.3103 -3.2412 -3.2412 -3.2046 -3.2046 -1.5461 -1.5461 -1.5144 -1.5144 -0.0686 -0.0686 -0.0538 -0.0538 5.0382 5.0382 5.1229 5.1229 5.5850 5.5850 5.6135 5.6136 k = 0.4717 0.4717-0.0000 ( 8260 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0653 -19.0653 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5248 -10.5248 -10.5092 -10.5092 -4.3371 -4.3371 -4.3319 -4.3319 -3.2352 -3.2352 -3.1561 -3.1561 -1.5404 -1.5404 -1.4715 -1.4715 -0.0816 -0.0816 -0.0483 -0.0483 4.9857 4.9857 5.1260 5.1260 5.5884 5.5885 5.6342 5.6342 k = 0.4623 0.4623-0.0000 ( 8244 PWs) bands (ev): -20.0902 -20.0902 -20.0898 -20.0898 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0652 -19.0652 -19.0237 -19.0237 -19.0236 -19.0236 -19.0147 -19.0147 -19.0144 -19.0144 -10.5351 -10.5351 -10.5076 -10.5076 -4.3708 -4.3708 -4.3587 -4.3587 -3.2268 -3.2268 -3.0916 -3.0916 -1.5324 -1.5324 -1.4130 -1.4130 -0.0994 -0.0994 -0.0407 -0.0407 4.9194 4.9194 5.1273 5.1273 5.5950 5.5951 5.6612 5.6612 k = 0.4528 0.4528-0.0000 ( 8250 PWs) bands (ev): -20.0902 -20.0902 -20.0897 -20.0897 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0651 -19.0651 -19.0237 -19.0237 -19.0235 -19.0235 -19.0148 -19.0148 -19.0144 -19.0144 -10.5482 -10.5482 -10.5055 -10.5055 -4.4118 -4.4118 -4.3887 -4.3887 -3.2161 -3.2161 -3.0135 -3.0135 -1.5221 -1.5221 -1.3402 -1.3402 -0.1218 -0.1218 -0.0309 -0.0309 4.8410 4.8410 5.1281 5.1281 5.6043 5.6043 5.6941 5.6941 k = 0.4434 0.4434-0.0000 ( 8256 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0512 -20.0512 -20.0511 -20.0511 -19.0654 -19.0654 -19.0650 -19.0650 -19.0237 -19.0237 -19.0235 -19.0235 -19.0149 -19.0149 -19.0144 -19.0144 -10.5641 -10.5641 -10.5029 -10.5029 -4.4589 -4.4589 -4.4198 -4.4198 -3.2031 -3.2031 -2.9238 -2.9238 -1.5096 -1.5096 -1.2547 -1.2547 -0.1483 -0.1483 -0.0188 -0.0188 4.7527 4.7527 5.1294 5.1294 5.6159 5.6159 5.7314 5.7314 k = 0.4340 0.4340-0.0000 ( 8260 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0513 -20.0513 -20.0512 -20.0512 -19.0654 -19.0654 -19.0649 -19.0649 -19.0238 -19.0238 -19.0235 -19.0235 -19.0150 -19.0150 -19.0144 -19.0144 -10.5827 -10.5827 -10.5000 -10.5000 -4.5108 -4.5108 -4.4506 -4.4506 -3.1877 -3.1877 -2.8242 -2.8242 -1.4949 -1.4949 -1.1580 -1.1580 -0.1785 -0.1785 -0.0045 -0.0045 4.6564 4.6564 5.1317 5.1317 5.6297 5.6297 5.7710 5.7710 k = 0.4245 0.4245-0.0000 ( 8256 PWs) bands (ev): -20.0902 -20.0902 -20.0895 -20.0895 -20.0513 -20.0513 -20.0512 -20.0512 -19.0653 -19.0653 -19.0648 -19.0648 -19.0238 -19.0238 -19.0235 -19.0235 -19.0152 -19.0152 -19.0144 -19.0144 -10.6037 -10.6037 -10.4966 -10.4966 -4.5661 -4.5661 -4.4799 -4.4799 -3.1700 -3.1700 -2.7161 -2.7161 -1.4780 -1.4780 -1.0519 -1.0519 -0.2116 -0.2116 0.0120 0.0120 4.5539 4.5539 5.1351 5.1351 5.6453 5.6453 5.8099 5.8099 k = 0.4151 0.4151-0.0000 ( 8262 PWs) bands (ev): -20.0902 -20.0902 -20.0894 -20.0894 -20.0514 -20.0514 -20.0512 -20.0512 -19.0652 -19.0652 -19.0646 -19.0646 -19.0239 -19.0239 -19.0234 -19.0234 -19.0153 -19.0153 -19.0144 -19.0144 -10.6272 -10.6272 -10.4930 -10.4930 -4.6239 -4.6239 -4.5068 -4.5068 -3.1500 -3.1500 -2.6007 -2.6007 -1.4589 -1.4589 -0.9382 -0.9382 -0.2465 -0.2465 0.0309 0.0309 4.4466 4.4466 5.1397 5.1397 5.6626 5.6626 5.8432 5.8432 k = 0.4057 0.4057-0.0000 ( 8252 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0512 -20.0512 -19.0651 -19.0651 -19.0645 -19.0645 -19.0240 -19.0240 -19.0234 -19.0234 -19.0155 -19.0155 -19.0145 -19.0145 -10.6529 -10.6529 -10.4890 -10.4890 -4.6829 -4.6829 -4.5307 -4.5307 -3.1278 -3.1278 -2.4789 -2.4789 -1.4377 -1.4377 -0.8198 -0.8198 -0.2814 -0.2814 0.0523 0.0523 4.3355 4.3355 5.1453 5.1453 5.6811 5.6811 5.8628 5.8628 k = 0.3962 0.3962-0.0000 ( 8258 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0515 -20.0515 -20.0512 -20.0512 -19.0650 -19.0650 -19.0643 -19.0643 -19.0240 -19.0240 -19.0233 -19.0233 -19.0157 -19.0157 -19.0145 -19.0145 -10.6808 -10.6808 -10.4847 -10.4847 -4.7425 -4.7425 -4.5512 -4.5512 -3.1033 -3.1033 -2.3517 -2.3517 -1.4144 -1.4144 -0.7015 -0.7015 -0.3121 -0.3121 0.0764 0.0764 4.2217 4.2217 5.1516 5.1516 5.6998 5.6998 5.8598 5.8598 k = 0.3868 0.3868-0.0000 ( 8254 PWs) bands (ev): -20.0902 -20.0902 -20.0892 -20.0892 -20.0515 -20.0515 -20.0512 -20.0512 -19.0649 -19.0649 -19.0642 -19.0642 -19.0241 -19.0241 -19.0233 -19.0233 -19.0158 -19.0158 -19.0146 -19.0146 -10.7106 -10.7106 -10.4801 -10.4801 -4.8017 -4.8017 -4.5679 -4.5679 -3.0766 -3.0766 -2.2199 -2.2199 -1.3891 -1.3891 -0.5965 -0.5965 -0.3264 -0.3264 0.1038 0.1038 4.1060 4.1060 5.1581 5.1581 5.7150 5.7150 5.8343 5.8343 k = 0.3774 0.3774-0.0000 ( 8244 PWs) bands (ev): -20.0902 -20.0902 -20.0891 -20.0891 -20.0516 -20.0516 -20.0513 -20.0513 -19.0647 -19.0647 -19.0640 -19.0640 -19.0242 -19.0242 -19.0232 -19.0232 -19.0160 -19.0160 -19.0146 -19.0146 -10.7421 -10.7421 -10.4754 -10.4754 -4.8600 -4.8600 -4.5807 -4.5807 -3.0478 -3.0478 -2.0844 -2.0844 -1.3617 -1.3617 -0.5375 -0.5375 -0.2927 -0.2927 0.1353 0.1353 3.9891 3.9891 5.1639 5.1639 5.7107 5.7108 5.8056 5.8056 k = 0.3679 0.3679-0.0000 ( 8248 PWs) bands (ev): -20.0902 -20.0902 -20.0890 -20.0890 -20.0516 -20.0516 -20.0513 -20.0513 -19.0646 -19.0646 -19.0638 -19.0638 -19.0243 -19.0243 -19.0231 -19.0231 -19.0162 -19.0162 -19.0147 -19.0147 -10.7753 -10.7753 -10.4705 -10.4705 -4.9168 -4.9168 -4.5893 -4.5893 -3.0169 -3.0169 -1.9464 -1.9464 -1.3324 -1.3324 -0.5376 -0.5376 -0.2000 -0.2000 0.1730 0.1730 3.8718 3.8718 5.1683 5.1683 5.6587 5.6587 5.8063 5.8063 k = 0.3585 0.3585-0.0000 ( 8238 PWs) bands (ev): -20.0902 -20.0902 -20.0890 -20.0890 -20.0517 -20.0517 -20.0513 -20.0513 -19.0644 -19.0644 -19.0637 -19.0637 -19.0244 -19.0244 -19.0231 -19.0231 -19.0164 -19.0164 -19.0147 -19.0147 -10.8099 -10.8099 -10.4655 -10.4655 -4.9716 -4.9716 -4.5937 -4.5937 -2.9839 -2.9839 -1.8075 -1.8075 -1.3011 -1.3011 -0.5630 -0.5630 -0.0858 -0.0858 0.2212 0.2212 3.7549 3.7549 5.1698 5.1698 5.5740 5.5740 5.8255 5.8255 k = 0.3491 0.3491-0.0000 ( 8232 PWs) bands (ev): -20.0901 -20.0901 -20.0889 -20.0889 -20.0518 -20.0518 -20.0514 -20.0514 -19.0643 -19.0643 -19.0635 -19.0635 -19.0245 -19.0245 -19.0230 -19.0230 -19.0167 -19.0167 -19.0148 -19.0148 -10.8458 -10.8458 -10.4605 -10.4605 -5.0240 -5.0240 -4.5939 -4.5939 -2.9489 -2.9489 -1.6699 -1.6699 -1.2681 -1.2681 -0.5935 -0.5935 0.0222 0.0223 0.2879 0.2879 3.6393 3.6393 5.1666 5.1666 5.4739 5.4739 5.8488 5.8488 k = 0.3396 0.3396-0.0000 ( 8236 PWs) bands (ev): -20.0901 -20.0901 -20.0888 -20.0888 -20.0519 -20.0519 -20.0514 -20.0514 -19.0641 -19.0641 -19.0634 -19.0634 -19.0246 -19.0246 -19.0229 -19.0229 -19.0169 -19.0169 -19.0149 -19.0149 -10.8827 -10.8827 -10.4554 -10.4554 -5.0736 -5.0736 -4.5897 -4.5897 -2.9119 -2.9119 -1.5375 -1.5375 -1.2333 -1.2333 -0.6195 -0.6195 0.1084 0.1084 0.3820 0.3820 3.5263 3.5263 5.1559 5.1559 5.3657 5.3657 5.8691 5.8691 k = 0.3302 0.3302-0.0000 ( 8248 PWs) bands (ev): -20.0901 -20.0901 -20.0888 -20.0888 -20.0519 -20.0519 -20.0514 -20.0514 -19.0640 -19.0640 -19.0633 -19.0633 -19.0247 -19.0247 -19.0228 -19.0228 -19.0172 -19.0172 -19.0149 -19.0149 -10.9206 -10.9206 -10.4503 -10.4503 -5.1202 -5.1202 -4.5814 -4.5814 -2.8731 -2.8731 -1.4166 -1.4166 -1.1969 -1.1969 -0.6330 -0.6330 0.1718 0.1718 0.5005 0.5005 3.4173 3.4173 5.1327 5.1327 5.2554 5.2554 5.8727 5.8728 k = 0.3208 0.3208-0.0000 ( 8248 PWs) bands (ev): -20.0901 -20.0901 -20.0887 -20.0887 -20.0520 -20.0520 -20.0515 -20.0515 -19.0638 -19.0638 -19.0631 -19.0631 -19.0248 -19.0248 -19.0227 -19.0227 -19.0174 -19.0174 -19.0150 -19.0150 -10.9591 -10.9591 -10.4453 -10.4453 -5.1635 -5.1635 -4.5688 -4.5688 -2.8324 -2.8324 -1.3169 -1.3169 -1.1590 -1.1590 -0.6236 -0.6236 0.2212 0.2212 0.6315 0.6315 3.3143 3.3143 5.0819 5.0819 5.1571 5.1571 5.8446 5.8446 k = 0.3113 0.3113-0.0000 ( 8256 PWs) bands (ev): -20.0900 -20.0900 -20.0887 -20.0887 -20.0521 -20.0521 -20.0515 -20.0515 -19.0637 -19.0637 -19.0630 -19.0630 -19.0249 -19.0249 -19.0226 -19.0225 -19.0177 -19.0177 -19.0151 -19.0151 -10.9983 -10.9983 -10.4404 -10.4404 -5.2033 -5.2033 -4.5521 -4.5521 -2.7900 -2.7900 -1.2498 -1.2498 -1.1196 -1.1196 -0.5796 -0.5796 0.2634 0.2634 0.7648 0.7648 3.2199 3.2199 4.9860 4.9860 5.0869 5.0869 5.7985 5.7985 k = 0.3019 0.3019-0.0000 ( 8264 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0522 -20.0522 -20.0515 -20.0515 -19.0636 -19.0636 -19.0629 -19.0629 -19.0250 -19.0250 -19.0224 -19.0224 -19.0179 -19.0179 -19.0152 -19.0152 -11.0378 -11.0378 -10.4357 -10.4357 -5.2395 -5.2395 -4.5313 -4.5313 -2.7460 -2.7460 -1.2200 -1.2200 -1.0786 -1.0786 -0.4967 -0.4967 0.3019 0.3019 0.8931 0.8931 3.1379 3.1379 4.8717 4.8717 5.0173 5.0173 5.7488 5.7488 k = 0.2925 0.2925-0.0000 ( 8266 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0523 -20.0523 -20.0516 -20.0516 -19.0634 -19.0634 -19.0628 -19.0628 -19.0252 -19.0252 -19.0223 -19.0223 -19.0182 -19.0182 -19.0152 -19.0152 -11.0775 -11.0775 -10.4312 -10.4312 -5.2718 -5.2718 -4.5065 -4.5065 -2.7003 -2.7003 -1.2212 -1.2212 -1.0360 -1.0360 -0.3814 -0.3814 0.3377 0.3377 1.0102 1.0102 3.0726 3.0726 4.7545 4.7545 4.9330 4.9330 5.7013 5.7013 k = 0.2830 0.2830-0.0000 ( 8262 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0524 -20.0524 -20.0516 -20.0516 -19.0633 -19.0633 -19.0627 -19.0627 -19.0253 -19.0253 -19.0221 -19.0221 -19.0185 -19.0185 -19.0153 -19.0153 -11.1173 -11.1173 -10.4269 -10.4269 -5.3001 -5.3001 -4.4777 -4.4777 -2.6532 -2.6532 -1.2426 -1.2426 -0.9922 -0.9922 -0.2447 -0.2447 0.3711 0.3711 1.1099 1.1099 3.0296 3.0296 4.6382 4.6382 4.8334 4.8334 5.6577 5.6577 k = 0.2736 0.2736-0.0000 ( 8260 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0525 -20.0525 -20.0517 -20.0517 -19.0632 -19.0632 -19.0626 -19.0626 -19.0254 -19.0254 -19.0220 -19.0220 -19.0188 -19.0188 -19.0154 -19.0154 -11.1571 -11.1571 -10.4229 -10.4229 -5.3245 -5.3245 -4.4452 -4.4452 -2.6047 -2.6047 -1.2759 -1.2759 -0.9473 -0.9473 -0.0955 -0.0955 0.4018 0.4018 1.1868 1.1868 3.0144 3.0144 4.5242 4.5242 4.7212 4.7212 5.6172 5.6172 k = 0.2642 0.2642-0.0000 ( 8234 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0526 -20.0526 -20.0517 -20.0517 -19.0631 -19.0631 -19.0625 -19.0625 -19.0255 -19.0255 -19.0218 -19.0218 -19.0190 -19.0190 -19.0155 -19.0155 -11.1966 -11.1966 -10.4192 -10.4192 -5.3448 -5.3448 -4.4089 -4.4089 -2.5549 -2.5549 -1.3160 -1.3160 -0.9015 -0.9015 0.0600 0.0600 0.4290 0.4290 1.2370 1.2370 3.0311 3.0311 4.4134 4.4134 4.6012 4.6012 5.5783 5.5783 k = 0.2547 0.2547-0.0000 ( 8226 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0527 -20.0527 -20.0518 -20.0518 -19.0630 -19.0630 -19.0625 -19.0625 -19.0256 -19.0256 -19.0217 -19.0217 -19.0193 -19.0193 -19.0155 -19.0155 -11.2358 -11.2358 -10.4158 -10.4158 -5.3609 -5.3609 -4.3690 -4.3690 -2.5040 -2.5040 -1.3598 -1.3598 -0.8548 -0.8548 0.2169 0.2169 0.4522 0.4522 1.2605 1.2605 3.0804 3.0804 4.3061 4.3061 4.4784 4.4784 5.5395 5.5395 k = 0.2453 0.2453-0.0000 ( 8226 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0528 -20.0528 -20.0518 -20.0518 -19.0629 -19.0629 -19.0624 -19.0624 -19.0257 -19.0257 -19.0215 -19.0215 -19.0196 -19.0196 -19.0156 -19.0156 -11.2745 -11.2745 -10.4127 -10.4127 -5.3729 -5.3729 -4.3256 -4.3256 -2.4521 -2.4521 -1.4056 -1.4056 -0.8074 -0.8074 0.3655 0.3655 0.4755 0.4755 1.2613 1.2613 3.1587 3.1587 4.2027 4.2027 4.3586 4.3586 5.4999 5.4999 k = 0.2358 0.2358-0.0000 ( 8224 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0529 -20.0529 -20.0519 -20.0519 -19.0628 -19.0628 -19.0624 -19.0624 -19.0258 -19.0258 -19.0213 -19.0213 -19.0199 -19.0199 -19.0157 -19.0157 -11.3126 -11.3126 -10.4100 -10.4100 -5.3808 -5.3808 -4.2789 -4.2789 -2.3993 -2.3993 -1.4523 -1.4523 -0.7595 -0.7595 0.4420 0.4420 0.5570 0.5570 1.2471 1.2471 3.2577 3.2577 4.1038 4.1038 4.2489 4.2489 5.4591 5.4591 k = 0.2264 0.2264-0.0000 ( 8236 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0530 -20.0530 -20.0519 -20.0519 -19.0628 -19.0628 -19.0624 -19.0624 -19.0259 -19.0259 -19.0212 -19.0212 -19.0202 -19.0202 -19.0158 -19.0158 -11.3500 -11.3500 -10.4077 -10.4077 -5.3847 -5.3847 -4.2289 -4.2289 -2.3459 -2.3459 -1.4990 -1.4990 -0.7111 -0.7111 0.4395 0.4395 0.6967 0.6967 1.2274 1.2274 3.3643 3.3643 4.0110 4.0110 4.1593 4.1593 5.4172 5.4172 k = 0.2170 0.2170-0.0000 ( 8244 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0531 -20.0531 -20.0520 -20.0520 -19.0627 -19.0627 -19.0624 -19.0624 -19.0260 -19.0260 -19.0210 -19.0210 -19.0204 -19.0204 -19.0159 -19.0159 -11.3865 -11.3865 -10.4057 -10.4057 -5.3846 -5.3846 -4.1758 -4.1758 -2.2918 -2.2918 -1.5452 -1.5452 -0.6626 -0.6626 0.4118 0.4118 0.8338 0.8338 1.2109 1.2109 3.4567 3.4567 3.9282 3.9282 4.1065 4.1065 5.3745 5.3745 k = 0.2075 0.2075-0.0000 ( 8240 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0532 -20.0532 -20.0520 -20.0520 -19.0627 -19.0627 -19.0624 -19.0624 -19.0261 -19.0261 -19.0209 -19.0209 -19.0206 -19.0206 -19.0160 -19.0160 -11.4222 -11.4222 -10.4041 -10.4041 -5.3805 -5.3805 -4.1199 -4.1199 -2.2375 -2.2375 -1.5905 -1.5905 -0.6140 -0.6140 0.3636 0.3636 0.9566 0.9566 1.2053 1.2053 3.5050 3.5050 3.8594 3.8594 4.1164 4.1164 5.3313 5.3313 k = 0.1981 0.1981-0.0000 ( 8232 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0533 -20.0533 -20.0521 -20.0521 -19.0627 -19.0627 -19.0624 -19.0624 -19.0262 -19.0262 -19.0211 -19.0211 -19.0205 -19.0205 -19.0160 -19.0160 -11.4568 -11.4568 -10.4029 -10.4029 -5.3727 -5.3727 -4.0611 -4.0611 -2.1830 -2.1830 -1.6347 -1.6347 -0.5656 -0.5656 0.2968 0.2968 1.0549 1.0549 1.2178 1.2178 3.4984 3.4984 3.8045 3.8045 4.2016 4.2016 5.2882 5.2882 k = 0.1887 0.1887-0.0000 ( 8233 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0534 -20.0534 -20.0522 -20.0522 -19.0627 -19.0627 -19.0624 -19.0624 -19.0263 -19.0263 -19.0213 -19.0213 -19.0204 -19.0204 -19.0161 -19.0161 -11.4903 -11.4903 -10.4020 -10.4020 -5.3612 -5.3612 -3.9998 -3.9998 -2.1285 -2.1285 -1.6774 -1.6774 -0.5177 -0.5177 0.2144 0.2144 1.1179 1.1179 1.2540 1.2540 3.4591 3.4591 3.7645 3.7645 4.3407 4.3407 5.2457 5.2457 k = 0.1792 0.1792-0.0000 ( 8235 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0535 -20.0535 -20.0522 -20.0522 -19.0627 -19.0627 -19.0624 -19.0624 -19.0263 -19.0263 -19.0216 -19.0216 -19.0202 -19.0202 -19.0162 -19.0162 -11.5226 -11.5226 -10.4014 -10.4014 -5.3463 -5.3463 -3.9362 -3.9362 -2.0745 -2.0745 -1.7185 -1.7185 -0.4704 -0.4704 0.1202 0.1202 1.1516 1.1516 1.3019 1.3019 3.4095 3.4095 3.7444 3.7444 4.5089 4.5089 5.2040 5.2040 k = 0.1698 0.1698-0.0000 ( 8243 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0535 -20.0535 -20.0523 -20.0523 -19.0627 -19.0627 -19.0625 -19.0625 -19.0264 -19.0264 -19.0218 -19.0218 -19.0200 -19.0200 -19.0163 -19.0163 -11.5537 -11.5537 -10.4012 -10.4012 -5.3281 -5.3281 -3.8704 -3.8704 -2.0212 -2.0212 -1.7574 -1.7574 -0.4243 -0.4243 0.0180 0.0180 1.1706 1.1706 1.3419 1.3419 3.3585 3.3585 3.7505 3.7505 4.6920 4.6920 5.1639 5.1639 k = 0.1604 0.1604-0.0000 ( 8243 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0536 -20.0536 -20.0523 -20.0523 -19.0627 -19.0627 -19.0625 -19.0625 -19.0265 -19.0265 -19.0221 -19.0221 -19.0199 -19.0199 -19.0164 -19.0164 -11.5834 -11.5834 -10.4012 -10.4012 -5.3069 -5.3069 -3.8028 -3.8028 -1.9694 -1.9694 -1.7938 -1.7938 -0.3803 -0.3803 -0.0886 -0.0886 1.1775 1.1775 1.3687 1.3687 3.3081 3.3081 3.7867 3.7867 4.8822 4.8822 5.1261 5.1261 k = 0.1509 0.1509-0.0000 ( 8241 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0537 -20.0537 -20.0524 -20.0524 -19.0627 -19.0627 -19.0626 -19.0626 -19.0265 -19.0265 -19.0223 -19.0223 -19.0197 -19.0197 -19.0164 -19.0164 -11.6117 -11.6117 -10.4015 -10.4015 -5.2829 -5.2829 -3.7336 -3.7336 -1.9213 -1.9213 -1.8256 -1.8256 -0.3416 -0.3416 -0.1938 -0.1938 1.1673 1.1673 1.3881 1.3881 3.2587 3.2587 3.8533 3.8533 5.0587 5.0587 5.1077 5.1077 k = 0.1415 0.1415-0.0000 ( 8241 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0538 -20.0538 -20.0525 -20.0525 -19.0627 -19.0627 -19.0626 -19.0626 -19.0265 -19.0265 -19.0225 -19.0225 -19.0195 -19.0195 -19.0165 -19.0165 -11.6386 -11.6386 -10.4020 -10.4020 -5.2566 -5.2566 -3.6633 -3.6633 -1.8921 -1.8921 -1.8376 -1.8375 -0.3453 -0.3453 -0.2592 -0.2592 1.1350 1.1350 1.4077 1.4077 3.2106 3.2106 3.9471 3.9471 5.0495 5.0495 5.2778 5.2778 k = 0.1321 0.1321-0.0000 ( 8229 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0539 -20.0539 -20.0525 -20.0525 -19.0628 -19.0628 -19.0627 -19.0627 -19.0266 -19.0266 -19.0228 -19.0228 -19.0194 -19.0194 -19.0166 -19.0166 -11.6640 -11.6640 -10.4027 -10.4027 -5.2282 -5.2282 -3.5921 -3.5921 -1.9071 -1.9071 -1.8048 -1.8048 -0.4379 -0.4379 -0.2367 -0.2367 1.0811 1.0811 1.4312 1.4312 3.1641 3.1641 4.0628 4.0628 5.0192 5.0192 5.4694 5.4694 k = 0.1226 0.1226-0.0000 ( 8225 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0539 -20.0539 -20.0526 -20.0526 -19.0628 -19.0628 -19.0627 -19.0627 -19.0266 -19.0266 -19.0230 -19.0230 -19.0192 -19.0192 -19.0166 -19.0166 -11.6878 -11.6878 -10.4035 -10.4035 -5.1980 -5.1980 -3.5206 -3.5206 -1.9330 -1.9330 -1.7608 -1.7608 -0.5437 -0.5437 -0.2009 -0.2009 1.0103 1.0103 1.4584 1.4584 3.1198 3.1198 4.1945 4.1945 4.9917 4.9917 5.6544 5.6544 k = 0.1132 0.1132-0.0000 ( 8221 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0540 -20.0540 -20.0526 -20.0526 -19.0629 -19.0629 -19.0628 -19.0628 -19.0266 -19.0266 -19.0232 -19.0232 -19.0191 -19.0191 -19.0167 -19.0167 -11.7100 -11.7100 -10.4045 -10.4045 -5.1667 -5.1667 -3.4493 -3.4493 -1.9585 -1.9585 -1.7171 -1.7171 -0.6483 -0.6483 -0.1654 -0.1654 0.9280 0.9280 1.4876 1.4876 3.0781 3.0781 4.3358 4.3358 4.9693 4.9693 5.7904 5.7904 k = 0.1038 0.1038-0.0000 ( 8231 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0629 -19.0629 -19.0629 -19.0629 -19.0266 -19.0266 -19.0234 -19.0234 -19.0190 -19.0190 -19.0167 -19.0167 -11.7306 -11.7306 -10.4055 -10.4055 -5.1346 -5.1346 -3.3788 -3.3788 -1.9822 -1.9822 -1.6756 -1.6756 -0.7490 -0.7490 -0.1320 -0.1320 0.8392 0.8392 1.5175 1.5175 3.0392 3.0392 4.4786 4.4786 4.9558 4.9558 5.8133 5.8133 k = 0.0943 0.0943-0.0000 ( 8243 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0630 -19.0630 -19.0629 -19.0629 -19.0266 -19.0266 -19.0236 -19.0236 -19.0189 -19.0189 -19.0168 -19.0168 -11.7495 -11.7495 -10.4066 -10.4066 -5.1023 -5.1023 -3.3097 -3.3097 -2.0036 -2.0036 -1.6371 -1.6371 -0.8443 -0.8443 -0.1017 -0.1017 0.7480 0.7480 1.5470 1.5470 3.0035 3.0035 4.6099 4.6099 4.9603 4.9603 5.8372 5.8372 k = 0.0849 0.0849-0.0000 ( 8247 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0630 -19.0630 -19.0630 -19.0630 -19.0266 -19.0266 -19.0238 -19.0238 -19.0188 -19.0188 -19.0168 -19.0168 -11.7667 -11.7667 -10.4077 -10.4077 -5.0702 -5.0702 -3.2428 -3.2428 -2.0225 -2.0225 -1.6025 -1.6025 -0.9327 -0.9327 -0.0751 -0.0751 0.6578 0.6578 1.5755 1.5755 2.9709 2.9709 4.7054 4.7054 5.0035 5.0035 5.7842 5.7842 k = 0.0755 0.0755-0.0000 ( 8245 PWs) bands (ev): -20.0903 -20.0903 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0631 -19.0631 -19.0630 -19.0630 -19.0266 -19.0266 -19.0240 -19.0240 -19.0187 -19.0187 -19.0168 -19.0168 -11.7821 -11.7821 -10.4087 -10.4087 -5.0392 -5.0392 -3.1791 -3.1791 -2.0388 -2.0388 -1.5723 -1.5723 -1.0129 -1.0129 -0.0530 -0.0530 0.5717 0.5717 1.6022 1.6022 2.9417 2.9417 4.7483 4.7483 5.0985 5.0985 5.7280 5.7280 k = 0.0660 0.0660-0.0000 ( 8253 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0528 -20.0528 -19.0631 -19.0631 -19.0631 -19.0631 -19.0266 -19.0266 -19.0241 -19.0241 -19.0186 -19.0186 -19.0169 -19.0169 -11.7958 -11.7958 -10.4098 -10.4098 -5.0096 -5.0096 -3.1195 -3.1195 -2.0525 -2.0525 -1.5476 -1.5476 -1.0835 -1.0835 -0.0363 -0.0363 0.4926 0.4926 1.6267 1.6267 2.9159 2.9159 4.7581 4.7581 5.2220 5.2220 5.6755 5.6755 k = 0.0566 0.0566-0.0000 ( 8257 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0631 -19.0631 -19.0266 -19.0266 -19.0243 -19.0243 -19.0185 -19.0185 -19.0169 -19.0169 -11.8077 -11.8077 -10.4107 -10.4107 -4.9823 -4.9823 -3.0650 -3.0650 -2.0636 -2.0636 -1.5293 -1.5293 -1.1430 -1.1430 -0.0259 -0.0259 0.4234 0.4234 1.6487 1.6487 2.8935 2.8935 4.7556 4.7556 5.3489 5.3489 5.6281 5.6281 k = 0.0472 0.0472-0.0000 ( 8249 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0244 -19.0244 -19.0185 -19.0185 -19.0169 -19.0169 -11.8178 -11.8178 -10.4115 -10.4115 -4.9578 -4.9578 -3.0166 -3.0166 -2.0723 -2.0723 -1.5183 -1.5183 -1.1899 -1.1899 -0.0226 -0.0226 0.3666 0.3666 1.6678 1.6678 2.8745 2.8745 4.7492 4.7492 5.4659 5.4660 5.5867 5.5867 k = 0.0377 0.0377-0.0000 ( 8259 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0544 -20.0544 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0245 -19.0245 -19.0184 -19.0184 -19.0169 -19.0169 -11.8261 -11.8261 -10.4123 -10.4123 -4.9367 -4.9367 -2.9754 -2.9754 -2.0787 -2.0787 -1.5145 -1.5145 -1.2239 -1.2239 -0.0262 -0.0262 0.3236 0.3236 1.6838 1.6838 2.8590 2.8590 4.7423 4.7423 5.5520 5.5520 5.5653 5.5653 k = 0.0283 0.0283-0.0000 ( 8263 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8326 -11.8326 -10.4128 -10.4128 -4.9197 -4.9197 -2.9424 -2.9424 -2.0832 -2.0832 -1.5165 -1.5165 -1.2458 -1.2458 -0.0348 -0.0348 0.2941 0.2941 1.6964 1.6964 2.8469 2.8469 4.7361 4.7361 5.5246 5.5246 5.6422 5.6422 k = 0.0189 0.0189-0.0000 ( 8267 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0247 -19.0247 -19.0184 -19.0184 -19.0169 -19.0169 -11.8372 -11.8372 -10.4133 -10.4133 -4.9072 -4.9072 -2.9181 -2.9181 -2.0860 -2.0860 -1.5214 -1.5214 -1.2583 -1.2583 -0.0450 -0.0450 0.2760 0.2760 1.7056 1.7056 2.8383 2.8383 4.7314 4.7314 5.5048 5.5048 5.6957 5.6957 k = 0.0094 0.0094-0.0000 ( 8275 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8400 -11.8400 -10.4135 -10.4135 -4.8995 -4.8995 -2.9034 -2.9034 -2.0875 -2.0875 -1.5259 -1.5259 -1.2644 -1.2644 -0.0529 -0.0529 0.2665 0.2665 1.7111 1.7111 2.8331 2.8331 4.7285 4.7285 5.4928 5.4928 5.7268 5.7268 k = 0.0000 0.0000 0.0000 ( 8291 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0880 -2.0880 -1.5277 -1.5277 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7129 1.7129 2.8314 2.8314 4.7275 4.7275 5.4888 5.4888 5.7369 5.7369 k = 0.0000 0.0000 0.0000 ( 8291 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0880 -2.0880 -1.5277 -1.5277 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7129 1.7129 2.8314 2.8314 4.7275 4.7275 5.4888 5.4888 5.7369 5.7369 k = 0.0000 0.0000 0.0132 ( 8271 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0880 -2.0880 -1.5277 -1.5277 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7129 1.7129 2.8305 2.8305 4.7329 4.7329 5.4888 5.4888 5.7368 5.7368 k = 0.0000 0.0000 0.0263 ( 8251 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0880 -2.0880 -1.5277 -1.5277 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7126 1.7126 2.8279 2.8279 4.7492 4.7492 5.4888 5.4888 5.7364 5.7364 k = 0.0000 0.0000 0.0395 ( 8255 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8984 -2.8984 -2.0879 -2.0879 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7123 1.7123 2.8237 2.8237 4.7759 4.7759 5.4888 5.4888 5.7358 5.7358 k = 0.0000 0.0000 0.0527 ( 8251 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8983 -2.8983 -2.0879 -2.0879 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7118 1.7118 2.8183 2.8183 4.8127 4.8127 5.4888 5.4888 5.7348 5.7348 k = 0.0000 0.0000 0.0659 ( 8259 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8983 -2.8983 -2.0878 -2.0878 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7112 1.7112 2.8120 2.8120 4.8589 4.8589 5.4888 5.4888 5.7333 5.7333 k = 0.0000 0.0000 0.0790 ( 8251 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8969 -4.8969 -2.8983 -2.8983 -2.0877 -2.0877 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7105 1.7105 2.8052 2.8052 4.9137 4.9137 5.4888 5.4888 5.7310 5.7310 k = 0.0000 0.0000 0.0922 ( 8247 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8982 -2.8982 -2.0876 -2.0876 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7099 1.7099 2.7983 2.7983 4.9762 4.9762 5.4888 5.4888 5.7276 5.7276 k = 0.0000 0.0000 0.1054 ( 8263 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8982 -2.8982 -2.0875 -2.0875 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7092 1.7092 2.7918 2.7918 5.0451 5.0451 5.4889 5.4889 5.7222 5.7222 k = 0.0000 0.0000 0.1186 ( 8275 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8982 -2.8982 -2.0874 -2.0874 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7086 1.7086 2.7860 2.7860 5.1189 5.1189 5.4889 5.4889 5.7134 5.7134 k = 0.0000 0.0000 0.1317 ( 8283 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0874 -2.0874 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7081 1.7081 2.7811 2.7811 5.1949 5.1949 5.4889 5.4889 5.6987 5.6987 k = 0.0000 0.0000 0.1449 ( 8280 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0873 -2.0873 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7077 1.7077 2.7775 2.7775 5.2684 5.2684 5.4889 5.4889 5.6750 5.6750 k = 0.0000 0.0000 0.1581 ( 8276 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0873 -2.0873 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7075 1.7075 2.7752 2.7752 5.3289 5.3289 5.4889 5.4889 5.6454 5.6454 k = 0.0000 0.0000 0.1713 ( 8260 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0873 -2.0873 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7074 1.7074 2.7744 2.7744 5.3547 5.3547 5.4889 5.4889 5.6296 5.6296 k = 0.0000 0.0000 0.1713 ( 8260 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0873 -2.0873 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7074 1.7074 2.7744 2.7744 5.3547 5.3547 5.4889 5.4889 5.6296 5.6296 k = 0.0000 0.0132 0.1713 ( 8278 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8400 -11.8400 -10.4135 -10.4135 -4.8995 -4.8995 -2.9029 -2.9029 -2.0868 -2.0868 -1.5259 -1.5259 -1.2645 -1.2645 -0.0530 -0.0530 0.2663 0.2663 1.7056 1.7056 2.7761 2.7761 5.3527 5.3527 5.4928 5.4928 5.6268 5.6268 k = 0.0000 0.0263 0.1713 ( 8268 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0247 -19.0247 -19.0184 -19.0184 -19.0169 -19.0169 -11.8373 -11.8373 -10.4133 -10.4133 -4.9070 -4.9070 -2.9174 -2.9174 -2.0853 -2.0853 -1.5205 -1.5205 -1.2595 -1.2595 -0.0443 -0.0443 0.2747 0.2747 1.7003 1.7003 2.7811 2.7811 5.3459 5.3459 5.5044 5.5044 5.6182 5.6182 k = 0.0000 0.0395 0.1713 ( 8252 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8328 -11.8328 -10.4129 -10.4129 -4.9194 -4.9194 -2.9413 -2.9413 -2.0826 -2.0826 -1.5117 -1.5117 -1.2512 -1.2512 -0.0304 -0.0304 0.2889 0.2889 1.6914 1.6914 2.7893 2.7893 5.3322 5.3322 5.5234 5.5234 5.6041 5.6041 k = 0.0000 0.0526 0.1713 ( 8248 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8265 -11.8265 -10.4124 -10.4124 -4.9365 -4.9365 -2.9743 -2.9743 -2.0784 -2.0784 -1.4995 -1.4995 -1.2396 -1.2396 -0.0124 -0.0124 0.3092 0.3092 1.6791 1.6791 2.8008 2.8008 5.3080 5.3080 5.5489 5.5489 5.5861 5.5861 k = 0.0000 0.0658 0.1713 ( 8246 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0244 -19.0244 -19.0185 -19.0185 -19.0169 -19.0169 -11.8185 -11.8185 -10.4117 -10.4117 -4.9579 -4.9579 -3.0161 -3.0161 -2.0723 -2.0723 -1.4839 -1.4839 -1.2248 -1.2248 0.0089 0.0089 0.3359 0.3359 1.6632 1.6632 2.8156 2.8156 5.2690 5.2690 5.5631 5.5631 5.5839 5.5839 k = 0.0000 0.0789 0.1713 ( 8250 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0631 -19.0631 -19.0266 -19.0266 -19.0243 -19.0243 -19.0185 -19.0185 -19.0169 -19.0169 -11.8086 -11.8086 -10.4111 -10.4111 -4.9835 -4.9835 -3.0660 -3.0660 -2.0641 -2.0641 -1.4652 -1.4652 -1.2067 -1.2067 0.0324 0.0324 0.3691 0.3691 1.6440 1.6440 2.8334 2.8334 5.2120 5.2120 5.5453 5.5453 5.6193 5.6193 k = 0.0000 0.0921 0.1713 ( 8238 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0528 -20.0528 -19.0631 -19.0631 -19.0631 -19.0631 -19.0266 -19.0266 -19.0241 -19.0241 -19.0186 -19.0186 -19.0168 -19.0168 -11.7971 -11.7971 -10.4104 -10.4104 -5.0128 -5.0128 -3.1233 -3.1233 -2.0535 -2.0535 -1.4435 -1.4435 -1.1855 -1.1855 0.0571 0.0571 0.4088 0.4088 1.6213 1.6213 2.8544 2.8544 5.1372 5.1372 5.5256 5.5256 5.6585 5.6585 k = 0.0000 0.1053 0.1713 ( 8242 PWs) bands (ev): -20.0903 -20.0903 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0631 -19.0631 -19.0630 -19.0630 -19.0266 -19.0266 -19.0240 -19.0240 -19.0187 -19.0187 -19.0168 -19.0168 -11.7838 -11.7838 -10.4097 -10.4097 -5.0453 -5.0453 -3.1873 -3.1873 -2.0405 -2.0405 -1.4188 -1.4188 -1.1612 -1.1612 0.0823 0.0823 0.4547 0.4547 1.5954 1.5954 2.8784 2.8784 5.0472 5.0472 5.4985 5.4985 5.6973 5.6973 k = 0.0000 0.1184 0.1713 ( 8242 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0630 -19.0630 -19.0630 -19.0630 -19.0267 -19.0267 -19.0238 -19.0238 -19.0188 -19.0188 -19.0168 -19.0168 -11.7688 -11.7688 -10.4092 -10.4092 -5.0807 -5.0807 -3.2573 -3.2573 -2.0248 -2.0248 -1.3914 -1.3914 -1.1338 -1.1338 0.1078 0.1078 0.5063 0.5063 1.5664 1.5664 2.9053 2.9053 4.9453 4.9453 5.4541 5.4541 5.7301 5.7302 k = 0.0000 0.1316 0.1713 ( 8242 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0630 -19.0630 -19.0629 -19.0629 -19.0267 -19.0267 -19.0236 -19.0236 -19.0189 -19.0189 -19.0168 -19.0168 -11.7521 -11.7521 -10.4089 -10.4089 -5.1185 -5.1185 -3.3323 -3.3323 -2.0065 -2.0065 -1.3615 -1.3615 -1.1036 -1.1036 0.1333 0.1333 0.5629 0.5629 1.5344 1.5344 2.9351 2.9351 4.8344 4.8344 5.3867 5.3867 5.7169 5.7169 k = 0.0000 0.1447 0.1713 ( 8240 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0629 -19.0629 -19.0629 -19.0629 -19.0267 -19.0267 -19.0234 -19.0234 -19.0190 -19.0190 -19.0167 -19.0167 -11.7337 -11.7337 -10.4088 -10.4088 -5.1582 -5.1582 -3.4117 -3.4117 -1.9855 -1.9855 -1.3290 -1.3290 -1.0705 -1.0705 0.1587 0.1587 0.6235 0.6235 1.4996 1.4996 2.9676 2.9676 4.7172 4.7172 5.3007 5.3007 5.7103 5.7103 k = 0.0000 0.1579 0.1713 ( 8232 PWs) bands (ev): -20.0901 -20.0901 -20.0887 -20.0887 -20.0540 -20.0540 -20.0526 -20.0526 -19.0628 -19.0628 -19.0628 -19.0628 -19.0267 -19.0267 -19.0232 -19.0232 -19.0191 -19.0191 -19.0167 -19.0167 -11.7137 -11.7137 -10.4092 -10.4092 -5.1992 -5.1992 -3.4947 -3.4947 -1.9620 -1.9620 -1.2942 -1.2942 -1.0348 -1.0348 0.1842 0.1842 0.6873 0.6873 1.4624 1.4624 3.0027 3.0027 4.5954 4.5954 5.2033 5.2033 5.7154 5.7154 k = 0.0000 0.1711 0.1713 ( 8238 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0540 -20.0540 -20.0526 -20.0526 -19.0628 -19.0628 -19.0627 -19.0627 -19.0267 -19.0267 -19.0229 -19.0229 -19.0192 -19.0192 -19.0166 -19.0166 -11.6922 -11.6922 -10.4099 -10.4099 -5.2412 -5.2412 -3.5807 -3.5807 -1.9359 -1.9359 -1.2571 -1.2571 -0.9966 -0.9966 0.2096 0.2096 0.7534 0.7534 1.4231 1.4231 3.0402 3.0402 4.4707 4.4707 5.0998 5.0998 5.7253 5.7253 k = 0.0000 0.1842 0.1713 ( 8240 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0539 -20.0539 -20.0525 -20.0525 -19.0627 -19.0627 -19.0627 -19.0627 -19.0267 -19.0267 -19.0227 -19.0227 -19.0194 -19.0194 -19.0165 -19.0165 -11.6691 -11.6691 -10.4113 -10.4113 -5.2836 -5.2836 -3.6689 -3.6689 -1.9074 -1.9074 -1.2178 -1.2178 -0.9561 -0.9561 0.2349 0.2349 0.8207 0.8207 1.3823 1.3823 3.0800 3.0800 4.3443 4.3443 4.9932 4.9932 5.6923 5.6924 k = 0.0000 0.1974 0.1713 ( 8244 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0538 -20.0538 -20.0525 -20.0525 -19.0626 -19.0626 -19.0626 -19.0626 -19.0267 -19.0267 -19.0224 -19.0224 -19.0195 -19.0195 -19.0165 -19.0165 -11.6445 -11.6445 -10.4133 -10.4133 -5.3260 -5.3260 -3.7589 -3.7589 -1.8764 -1.8764 -1.1764 -1.1764 -0.9135 -0.9135 0.2600 0.2600 0.8878 0.8878 1.3411 1.3411 3.1218 3.1218 4.2175 4.2175 4.8856 4.8856 5.6343 5.6343 k = 0.0000 0.2105 0.1713 ( 8228 PWs) bands (ev): -20.0899 -20.0899 -20.0886 -20.0886 -20.0538 -20.0538 -20.0524 -20.0524 -19.0626 -19.0626 -19.0625 -19.0625 -19.0267 -19.0266 -19.0222 -19.0222 -19.0197 -19.0197 -19.0164 -19.0164 -11.6184 -11.6184 -10.4160 -10.4160 -5.3678 -5.3678 -3.8501 -3.8501 -1.8430 -1.8430 -1.1330 -1.1330 -0.8689 -0.8689 0.2849 0.2849 0.9522 0.9522 1.3017 1.3017 3.1650 3.1650 4.0915 4.0915 4.7784 4.7784 5.5624 5.5624 k = 0.0000 0.2237 0.1713 ( 8230 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0537 -20.0537 -20.0524 -20.0524 -19.0625 -19.0625 -19.0625 -19.0625 -19.0266 -19.0266 -19.0219 -19.0219 -19.0199 -19.0199 -19.0163 -19.0163 -11.5910 -11.5910 -10.4197 -10.4197 -5.4087 -5.4087 -3.9421 -3.9421 -1.8074 -1.8074 -1.0876 -1.0876 -0.8226 -0.8226 0.3092 0.3092 1.0088 1.0088 1.2690 1.2690 3.2090 3.2091 3.9678 3.9678 4.6727 4.6727 5.4797 5.4797 k = 0.0000 0.2368 0.1713 ( 8220 PWs) bands (ev): -20.0898 -20.0898 -20.0885 -20.0885 -20.0536 -20.0536 -20.0523 -20.0523 -19.0625 -19.0625 -19.0624 -19.0624 -19.0266 -19.0266 -19.0217 -19.0217 -19.0200 -19.0200 -19.0163 -19.0163 -11.5622 -11.5622 -10.4244 -10.4244 -5.4482 -5.4482 -4.0344 -4.0344 -1.7695 -1.7695 -1.0404 -1.0404 -0.7749 -0.7749 0.3329 0.3329 1.0454 1.0454 1.2550 1.2550 3.2523 3.2523 3.8485 3.8485 4.5696 4.5696 5.3889 5.3889 k = 0.0000 0.2500 0.1713 ( 8218 PWs) bands (ev): -20.0898 -20.0898 -20.0885 -20.0885 -20.0535 -20.0535 -20.0523 -20.0523 -19.0624 -19.0624 -19.0624 -19.0624 -19.0265 -19.0265 -19.0214 -19.0214 -19.0202 -19.0202 -19.0162 -19.0162 -11.5321 -11.5321 -10.4301 -10.4301 -5.4859 -5.4859 -4.1266 -4.1266 -1.7295 -1.7295 -0.9914 -0.9914 -0.7261 -0.7261 0.3555 0.3555 1.0473 1.0473 1.2745 1.2745 3.2912 3.2912 3.7378 3.7378 4.4698 4.4698 5.2921 5.2921 k = 0.0000 0.2632 0.1713 ( 8224 PWs) bands (ev): -20.0897 -20.0897 -20.0885 -20.0885 -20.0534 -20.0534 -20.0522 -20.0522 -19.0623 -19.0623 -19.0623 -19.0623 -19.0265 -19.0265 -19.0212 -19.0212 -19.0203 -19.0203 -19.0161 -19.0161 -11.5008 -11.5008 -10.4371 -10.4371 -5.5215 -5.5215 -4.2184 -4.2184 -1.6873 -1.6873 -0.9406 -0.9406 -0.6766 -0.6766 0.3768 0.3768 1.0204 1.0204 1.3213 1.3213 3.3168 3.3168 3.6454 3.6454 4.3743 4.3743 5.1909 5.1909 k = 0.0000 0.2763 0.1713 ( 8226 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0533 -20.0533 -20.0522 -20.0522 -19.0623 -19.0623 -19.0622 -19.0622 -19.0264 -19.0264 -19.0210 -19.0210 -19.0204 -19.0204 -19.0161 -19.0161 -11.4684 -11.4684 -10.4455 -10.4455 -5.5544 -5.5544 -4.3095 -4.3095 -1.6432 -1.6432 -0.8883 -0.8883 -0.6268 -0.6268 0.3964 0.3964 0.9805 0.9805 1.3794 1.3794 3.3088 3.3088 3.5921 3.5921 4.2842 4.2842 5.0865 5.0865 k = 0.0000 0.2895 0.1713 ( 8224 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0532 -20.0532 -20.0521 -20.0521 -19.0622 -19.0622 -19.0622 -19.0622 -19.0263 -19.0263 -19.0211 -19.0211 -19.0203 -19.0203 -19.0160 -19.0160 -11.4348 -11.4348 -10.4552 -10.4552 -5.5845 -5.5845 -4.3996 -4.3996 -1.5970 -1.5970 -0.8346 -0.8346 -0.5772 -0.5772 0.4139 0.4139 0.9360 0.9360 1.4403 1.4403 3.2545 3.2545 3.5914 3.5914 4.2004 4.2004 4.9799 4.9799 k = 0.0000 0.3026 0.1713 ( 8234 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0532 -20.0532 -20.0521 -20.0521 -19.0622 -19.0622 -19.0621 -19.0621 -19.0262 -19.0262 -19.0212 -19.0212 -19.0200 -19.0200 -19.0160 -19.0160 -11.4003 -11.4003 -10.4665 -10.4665 -5.6114 -5.6114 -4.4883 -4.4883 -1.5490 -1.5490 -0.7797 -0.7797 -0.5286 -0.5286 0.4291 0.4291 0.8905 0.8905 1.4997 1.4997 3.1739 3.1739 3.6237 3.6237 4.1244 4.1244 4.8719 4.8719 k = 0.0000 0.3158 0.1713 ( 8238 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0531 -20.0531 -20.0520 -20.0520 -19.0621 -19.0621 -19.0621 -19.0621 -19.0261 -19.0261 -19.0214 -19.0214 -19.0198 -19.0198 -19.0159 -19.0159 -11.3649 -11.3649 -10.4794 -10.4794 -5.6349 -5.6349 -4.5754 -4.5754 -1.4992 -1.4992 -0.7238 -0.7238 -0.4818 -0.4818 0.4417 0.4417 0.8463 0.8463 1.5550 1.5550 3.0877 3.0877 3.6687 3.6687 4.0584 4.0584 4.7632 4.7632 k = 0.0000 0.3289 0.1713 ( 8226 PWs) bands (ev): -20.0894 -20.0894 -20.0885 -20.0885 -20.0530 -20.0530 -20.0520 -20.0520 -19.0621 -19.0621 -19.0621 -19.0621 -19.0260 -19.0260 -19.0216 -19.0216 -19.0195 -19.0195 -19.0159 -19.0159 -11.3287 -11.3287 -10.4939 -10.4939 -5.6545 -5.6545 -4.6607 -4.6607 -1.4477 -1.4477 -0.6674 -0.6674 -0.4377 -0.4377 0.4516 0.4516 0.8049 0.8049 1.6034 1.6034 3.0059 3.0059 3.7148 3.7148 4.0067 4.0067 4.6542 4.6542 k = 0.0000 0.3421 0.1713 ( 8230 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0529 -20.0529 -20.0520 -20.0520 -19.0621 -19.0621 -19.0620 -19.0620 -19.0259 -19.0259 -19.0217 -19.0217 -19.0192 -19.0192 -19.0158 -19.0158 -11.2918 -11.2918 -10.5102 -10.5102 -5.6702 -5.6702 -4.7439 -4.7439 -1.3946 -1.3946 -0.6111 -0.6111 -0.3972 -0.3972 0.4589 0.4589 0.7677 0.7677 1.6419 1.6419 2.9343 2.9343 3.7508 3.7508 3.9779 3.9779 4.5456 4.5456 k = 0.0000 0.3553 0.1713 ( 8244 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0528 -20.0528 -20.0519 -20.0519 -19.0620 -19.0620 -19.0620 -19.0620 -19.0258 -19.0258 -19.0219 -19.0219 -19.0190 -19.0190 -19.0158 -19.0158 -11.2542 -11.2542 -10.5282 -10.5282 -5.6818 -5.6818 -4.8249 -4.8249 -1.3400 -1.3400 -0.5561 -0.5561 -0.3610 -0.3610 0.4636 0.4636 0.7361 0.7361 1.6675 1.6675 2.8772 2.8772 3.7640 3.7640 3.9835 3.9835 4.4382 4.4382 k = 0.0000 0.3684 0.1713 ( 8240 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0527 -20.0527 -20.0519 -20.0519 -19.0620 -19.0620 -19.0620 -19.0620 -19.0256 -19.0256 -19.0221 -19.0221 -19.0187 -19.0187 -19.0158 -19.0158 -11.2162 -11.2162 -10.5480 -10.5480 -5.6890 -5.6890 -4.9033 -4.9033 -1.2839 -1.2839 -0.5046 -0.5046 -0.3289 -0.3289 0.4658 0.4658 0.7117 0.7117 1.6770 1.6771 2.8383 2.8383 3.7559 3.7559 4.0205 4.0205 4.3337 4.3337 k = 0.0000 0.3816 0.1713 ( 8232 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0526 -20.0526 -20.0519 -20.0519 -19.0620 -19.0620 -19.0619 -19.0619 -19.0255 -19.0255 -19.0223 -19.0223 -19.0184 -19.0184 -19.0158 -19.0158 -11.1778 -11.1778 -10.5695 -10.5695 -5.6917 -5.6917 -4.9790 -4.9790 -1.2267 -1.2267 -0.4610 -0.4610 -0.2984 -0.2984 0.4647 0.4647 0.6968 0.6968 1.6687 1.6687 2.8201 2.8201 3.7409 3.7409 4.0679 4.0679 4.2389 4.2389 k = 0.0000 0.3947 0.1713 ( 8224 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0525 -20.0525 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0254 -19.0254 -19.0225 -19.0225 -19.0182 -19.0182 -19.0158 -19.0158 -11.1391 -11.1391 -10.5929 -10.5929 -5.6899 -5.6899 -5.0517 -5.0517 -1.1683 -1.1683 -0.4317 -0.4317 -0.2641 -0.2641 0.4584 0.4584 0.6942 0.6942 1.6424 1.6424 2.8228 2.8228 3.7286 3.7286 4.0684 4.0684 4.2018 4.2018 k = 0.0000 0.4079 0.1713 ( 8210 PWs) bands (ev): -20.0890 -20.0890 -20.0885 -20.0885 -20.0525 -20.0525 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0252 -19.0252 -19.0227 -19.0227 -19.0179 -19.0179 -19.0159 -19.0159 -11.1003 -11.1003 -10.6180 -10.6180 -5.6835 -5.6835 -5.1214 -5.1214 -1.1089 -1.1089 -0.4220 -0.4220 -0.2213 -0.2213 0.4450 0.4450 0.7061 0.7061 1.5997 1.5997 2.8449 2.8449 3.7229 3.7229 3.9872 3.9872 4.2535 4.2535 k = 0.0000 0.4211 0.1713 ( 8210 PWs) bands (ev): -20.0890 -20.0890 -20.0885 -20.0885 -20.0524 -20.0524 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0251 -19.0251 -19.0229 -19.0229 -19.0177 -19.0177 -19.0159 -19.0159 -11.0615 -11.0615 -10.6447 -10.6447 -5.6723 -5.6723 -5.1878 -5.1878 -1.0488 -1.0488 -0.4310 -0.4310 -0.1705 -0.1705 0.4235 0.4235 0.7329 0.7329 1.5439 1.5439 2.8837 2.8837 3.7256 3.7256 3.8894 3.8894 4.3272 4.3272 k = 0.0000 0.4342 0.1713 ( 8234 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0523 -20.0523 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0249 -19.0249 -19.0231 -19.0231 -19.0175 -19.0175 -19.0160 -19.0160 -11.0228 -11.0228 -10.6731 -10.6731 -5.6565 -5.6565 -5.2507 -5.2507 -0.9881 -0.9881 -0.4546 -0.4546 -0.1148 -0.1148 0.3946 0.3946 0.7729 0.7729 1.4783 1.4783 2.9358 2.9358 3.7367 3.7367 3.7905 3.7905 4.3122 4.3122 k = 0.0000 0.4474 0.1713 ( 8242 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0523 -20.0523 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0247 -19.0247 -19.0233 -19.0233 -19.0172 -19.0172 -19.0161 -19.0161 -10.9843 -10.9843 -10.7030 -10.7030 -5.6359 -5.6359 -5.3099 -5.3099 -0.9272 -0.9272 -0.4890 -0.4890 -0.0569 -0.0569 0.3592 0.3592 0.8237 0.8237 1.4061 1.4061 2.9984 2.9984 3.6897 3.6897 3.7597 3.7597 4.2243 4.2243 k = 0.0000 0.4605 0.1713 ( 8246 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0522 -20.0522 -20.0519 -20.0519 -19.0619 -19.0619 -19.0619 -19.0619 -19.0246 -19.0246 -19.0235 -19.0235 -19.0170 -19.0170 -19.0162 -19.0162 -10.9463 -10.9463 -10.7344 -10.7344 -5.6106 -5.6106 -5.3654 -5.3654 -0.8663 -0.8663 -0.5314 -0.5314 0.0016 0.0016 0.3185 0.3185 0.8832 0.8832 1.3299 1.3299 3.0692 3.0692 3.5929 3.5929 3.7895 3.7895 4.1418 4.1418 k = 0.0000 0.4737 0.1713 ( 8250 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0244 -19.0244 -19.0237 -19.0237 -19.0169 -19.0169 -19.0163 -19.0163 -10.9088 -10.9088 -10.7671 -10.7671 -5.5808 -5.5808 -5.4169 -5.4169 -0.8059 -0.8059 -0.5797 -0.5797 0.0598 0.0598 0.2732 0.2732 0.9494 0.9494 1.2516 1.2516 3.1464 3.1464 3.4977 3.4977 3.8286 3.8286 4.0652 4.0652 k = 0.0000 0.4868 0.1713 ( 8252 PWs) bands (ev): -20.0888 -20.0888 -20.0887 -20.0887 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0242 -19.0242 -19.0239 -19.0239 -19.0167 -19.0167 -19.0164 -19.0164 -10.8720 -10.8720 -10.8010 -10.8010 -5.5464 -5.5464 -5.4643 -5.4643 -0.7463 -0.7463 -0.6324 -0.6324 0.1167 0.1167 0.2240 0.2240 1.0207 1.0207 1.1731 1.1731 3.2287 3.2287 3.4050 3.4050 3.8762 3.8762 3.9951 3.9951 k = 0.0000 0.5000 0.1713 ( 8244 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3151 3.3151 3.3151 3.3151 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1713 ( 8244 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3151 3.3151 3.3151 3.3151 3.9319 3.9319 3.9319 3.9319 k = 0.0132 0.5000 0.1713 ( 8256 PWs) bands (ev): -20.0888 -20.0888 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0165 -19.0165 -10.8356 -10.8356 -10.8355 -10.8355 -5.5064 -5.5064 -5.5062 -5.5062 -0.6955 -0.6955 -0.6840 -0.6840 0.1490 0.1490 0.1644 0.1644 1.1034 1.1034 1.1062 1.1062 3.2861 3.2861 3.3029 3.3029 3.9535 3.9535 3.9631 3.9631 k = 0.0263 0.5000 0.1713 ( 8244 PWs) bands (ev): -20.0888 -20.0888 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0619 -19.0619 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0165 -19.0165 -10.8341 -10.8341 -10.8340 -10.8339 -5.5028 -5.5028 -5.5023 -5.5023 -0.7061 -0.7061 -0.6825 -0.6825 0.0994 0.0994 0.1302 0.1302 1.1262 1.1262 1.1315 1.1315 3.2272 3.2272 3.2593 3.2593 4.0167 4.0167 4.0380 4.0381 k = 0.0395 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0620 -19.0620 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0164 -19.0164 -10.8316 -10.8316 -10.8314 -10.8314 -5.4968 -5.4968 -5.4960 -5.4960 -0.7210 -0.7210 -0.6843 -0.6843 0.0297 0.0297 0.0762 0.0762 1.1562 1.1562 1.1637 1.1637 3.1577 3.1577 3.2038 3.2038 4.1028 4.1028 4.1383 4.1384 k = 0.0526 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0889 -20.0889 -20.0886 -20.0886 -20.0521 -20.0521 -20.0520 -20.0520 -19.0621 -19.0621 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0164 -19.0164 -10.8281 -10.8281 -10.8278 -10.8278 -5.4883 -5.4883 -5.4873 -5.4872 -0.7419 -0.7419 -0.6906 -0.6906 -0.0522 -0.0522 0.0109 0.0109 1.1837 1.1837 1.1935 1.1935 3.0924 3.0924 3.1519 3.1519 4.1986 4.1986 4.2494 4.2494 k = 0.0658 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0890 -20.0890 -20.0885 -20.0885 -20.0520 -20.0520 -20.0520 -20.0520 -19.0621 -19.0621 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0163 -19.0163 -10.8236 -10.8236 -10.8233 -10.8233 -5.4773 -5.4773 -5.4760 -5.4760 -0.7707 -0.7707 -0.7036 -0.7036 -0.1388 -0.1388 -0.0580 -0.0580 1.2001 1.2001 1.2125 1.2125 3.0410 3.0410 3.1139 3.1140 4.2962 4.2963 4.3611 4.3611 k = 0.0789 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0622 -19.0622 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0163 -19.0163 -10.8182 -10.8182 -10.8179 -10.8179 -5.4638 -5.4638 -5.4624 -5.4624 -0.8098 -0.8098 -0.7268 -0.7268 -0.2224 -0.2224 -0.1240 -0.1240 1.1988 1.1989 1.2139 1.2139 3.0100 3.0100 3.0963 3.0963 4.3915 4.3915 4.4658 4.4658 k = 0.0921 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0891 -20.0891 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0623 -19.0623 -19.0618 -19.0618 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0162 -19.0162 -10.8119 -10.8119 -10.8115 -10.8115 -5.4480 -5.4480 -5.4463 -5.4463 -0.8611 -0.8611 -0.7649 -0.7649 -0.2956 -0.2956 -0.1821 -0.1821 1.1761 1.1761 1.1939 1.1939 3.0028 3.0028 3.1022 3.1023 4.4824 4.4824 4.5582 4.5583 k = 0.1053 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0892 -20.0892 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0624 -19.0624 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0162 -19.0162 -10.8046 -10.8046 -10.8042 -10.8042 -5.4297 -5.4297 -5.4278 -5.4278 -0.9257 -0.9257 -0.8220 -0.8220 -0.3523 -0.3523 -0.2293 -0.2293 1.1311 1.1311 1.1513 1.1513 3.0196 3.0196 3.1318 3.1318 4.5689 4.5689 4.6369 4.6369 k = 0.1184 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0520 -20.0520 -20.0519 -20.0519 -19.0625 -19.0625 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0161 -19.0161 -10.7966 -10.7966 -10.7961 -10.7961 -5.4090 -5.4090 -5.4069 -5.4069 -1.0029 -1.0029 -0.8986 -0.8986 -0.3908 -0.3908 -0.2648 -0.2648 1.0656 1.0656 1.0877 1.0877 3.0584 3.0584 3.1826 3.1826 4.6519 4.6519 4.7044 4.7044 k = 0.1316 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0893 -20.0893 -20.0885 -20.0885 -20.0520 -20.0520 -20.0518 -20.0518 -19.0626 -19.0626 -19.0620 -19.0620 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0160 -19.0160 -10.7877 -10.7877 -10.7872 -10.7872 -5.3860 -5.3860 -5.3837 -5.3836 -1.0908 -1.0908 -0.9908 -0.9908 -0.4139 -0.4139 -0.2895 -0.2895 0.9826 0.9826 1.0066 1.0066 3.1152 3.1152 3.2509 3.2509 4.7327 4.7327 4.7653 4.7653 k = 0.1447 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0894 -20.0894 -20.0885 -20.0885 -20.0520 -20.0520 -20.0518 -20.0518 -19.0628 -19.0628 -19.0621 -19.0621 -19.0240 -19.0240 -19.0240 -19.0240 -19.0167 -19.0167 -19.0160 -19.0160 -10.7781 -10.7781 -10.7775 -10.7775 -5.3606 -5.3606 -5.3581 -5.3581 -1.1867 -1.1867 -1.0935 -1.0935 -0.4261 -0.4261 -0.3052 -0.3052 0.8857 0.8857 0.9117 0.9117 3.1857 3.1857 3.3326 3.3326 4.8127 4.8127 4.8234 4.8234 k = 0.1579 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0519 -20.0519 -20.0518 -20.0518 -19.0629 -19.0629 -19.0621 -19.0621 -19.0240 -19.0240 -19.0240 -19.0240 -19.0166 -19.0166 -19.0159 -19.0159 -10.7677 -10.7677 -10.7671 -10.7671 -5.3329 -5.3329 -5.3302 -5.3302 -1.2883 -1.2883 -1.2023 -1.2023 -0.4313 -0.4313 -0.3137 -0.3137 0.7785 0.7785 0.8069 0.8069 3.2659 3.2659 3.4237 3.4237 4.8816 4.8816 4.8929 4.8929 k = 0.1711 0.5000 0.1713 ( 8228 PWs) bands (ev): -20.0895 -20.0895 -20.0885 -20.0885 -20.0519 -20.0519 -20.0517 -20.0517 -19.0630 -19.0630 -19.0622 -19.0622 -19.0239 -19.0239 -19.0239 -19.0239 -19.0166 -19.0166 -19.0158 -19.0158 -10.7568 -10.7568 -10.7561 -10.7561 -5.3030 -5.3030 -5.3001 -5.3001 -1.3934 -1.3934 -1.3144 -1.3143 -0.4322 -0.4322 -0.3169 -0.3169 0.6637 0.6638 0.6953 0.6953 3.3525 3.3525 3.5207 3.5207 4.9415 4.9415 4.9741 4.9741 k = 0.1842 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0896 -20.0896 -20.0885 -20.0885 -20.0519 -20.0519 -20.0517 -20.0517 -19.0632 -19.0632 -19.0623 -19.0623 -19.0239 -19.0239 -19.0239 -19.0239 -19.0166 -19.0166 -19.0157 -19.0157 -10.7452 -10.7452 -10.7446 -10.7446 -5.2708 -5.2708 -5.2678 -5.2678 -1.5004 -1.5004 -1.4276 -1.4276 -0.4308 -0.4308 -0.3159 -0.3159 0.5440 0.5440 0.5799 0.5800 3.4428 3.4428 3.6209 3.6209 5.0040 5.0040 5.0565 5.0565 k = 0.1974 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0897 -20.0897 -20.0886 -20.0886 -20.0518 -20.0518 -20.0517 -20.0517 -19.0633 -19.0633 -19.0625 -19.0625 -19.0239 -19.0239 -19.0239 -19.0239 -19.0165 -19.0165 -19.0157 -19.0157 -10.7332 -10.7332 -10.7325 -10.7325 -5.2365 -5.2365 -5.2334 -5.2334 -1.6081 -1.6081 -1.5409 -1.5409 -0.4287 -0.4287 -0.3120 -0.3120 0.4211 0.4211 0.4632 0.4632 3.5347 3.5347 3.7221 3.7221 5.0694 5.0694 5.1401 5.1401 k = 0.2105 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0897 -20.0897 -20.0886 -20.0886 -20.0518 -20.0518 -20.0516 -20.0516 -19.0634 -19.0634 -19.0626 -19.0626 -19.0239 -19.0239 -19.0239 -19.0239 -19.0165 -19.0165 -19.0156 -19.0156 -10.7207 -10.7207 -10.7200 -10.7200 -5.2000 -5.2000 -5.1968 -5.1968 -1.7156 -1.7155 -1.6532 -1.6532 -0.4276 -0.4275 -0.3059 -0.3059 0.2969 0.2969 0.3476 0.3476 3.6268 3.6268 3.8225 3.8226 5.1376 5.1376 5.2243 5.2243 k = 0.2237 0.5000 0.1713 ( 8228 PWs) bands (ev): -20.0898 -20.0898 -20.0886 -20.0886 -20.0518 -20.0518 -20.0516 -20.0516 -19.0636 -19.0636 -19.0627 -19.0627 -19.0239 -19.0239 -19.0239 -19.0239 -19.0164 -19.0164 -19.0155 -19.0155 -10.7078 -10.7078 -10.7071 -10.7071 -5.1615 -5.1615 -5.1583 -5.1582 -1.8220 -1.8220 -1.7640 -1.7640 -0.4293 -0.4293 -0.2989 -0.2989 0.1730 0.1731 0.2359 0.2359 3.7179 3.7179 3.9210 3.9210 5.2079 5.2079 5.3082 5.3082 k = 0.2368 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0899 -20.0899 -20.0887 -20.0887 -20.0517 -20.0517 -20.0516 -20.0516 -19.0637 -19.0637 -19.0629 -19.0629 -19.0239 -19.0239 -19.0238 -19.0238 -19.0163 -19.0163 -19.0154 -19.0154 -10.6947 -10.6947 -10.6940 -10.6940 -5.1211 -5.1211 -5.1178 -5.1177 -1.9269 -1.9269 -1.8728 -1.8728 -0.4367 -0.4367 -0.2924 -0.2924 0.0516 0.0516 0.1314 0.1314 3.8076 3.8076 4.0166 4.0167 5.2796 5.2796 5.3907 5.3907 k = 0.2500 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0899 -20.0899 -20.0887 -20.0887 -20.0517 -20.0517 -20.0515 -20.0515 -19.0639 -19.0639 -19.0630 -19.0630 -19.0239 -19.0239 -19.0238 -19.0238 -19.0163 -19.0163 -19.0153 -19.0153 -10.6814 -10.6814 -10.6807 -10.6807 -5.0787 -5.0787 -5.0754 -5.0754 -2.0298 -2.0298 -1.9791 -1.9791 -0.4540 -0.4540 -0.2905 -0.2905 -0.0629 -0.0628 0.0390 0.0390 3.8952 3.8952 4.1090 4.1090 5.3512 5.3512 5.4700 5.4701 k = 0.2632 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0900 -20.0900 -20.0888 -20.0888 -20.0517 -20.0517 -20.0515 -20.0515 -19.0640 -19.0640 -19.0632 -19.0632 -19.0239 -19.0239 -19.0238 -19.0238 -19.0162 -19.0162 -19.0152 -19.0152 -10.6680 -10.6680 -10.6673 -10.6673 -5.0346 -5.0346 -5.0313 -5.0313 -2.1304 -2.1303 -2.0828 -2.0828 -0.4865 -0.4865 -0.3081 -0.3081 -0.1552 -0.1552 -0.0357 -0.0357 3.9807 3.9807 4.1978 4.1978 5.4212 5.4212 5.5444 5.5444 k = 0.2763 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0900 -20.0900 -20.0888 -20.0888 -20.0516 -20.0516 -20.0514 -20.0514 -19.0642 -19.0642 -19.0633 -19.0633 -19.0238 -19.0238 -19.0238 -19.0238 -19.0161 -19.0161 -19.0151 -19.0151 -10.6546 -10.6546 -10.6539 -10.6538 -4.9889 -4.9889 -4.9856 -4.9856 -2.2283 -2.2283 -2.1836 -2.1836 -0.5378 -0.5378 -0.3746 -0.3746 -0.1955 -0.1955 -0.0886 -0.0886 4.0639 4.0639 4.2831 4.2831 5.4879 5.4879 5.6117 5.6117 k = 0.2895 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0901 -20.0901 -20.0889 -20.0889 -20.0516 -20.0516 -20.0514 -20.0514 -19.0643 -19.0643 -19.0635 -19.0635 -19.0238 -19.0238 -19.0237 -19.0237 -19.0160 -19.0160 -19.0150 -19.0150 -10.6413 -10.6413 -10.6405 -10.6405 -4.9416 -4.9416 -4.9385 -4.9385 -2.3234 -2.3234 -2.2814 -2.2814 -0.6070 -0.6070 -0.4748 -0.4748 -0.1987 -0.1987 -0.1203 -0.1203 4.1449 4.1449 4.3649 4.3649 5.5491 5.5491 5.6698 5.6698 k = 0.3026 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0901 -20.0901 -20.0890 -20.0890 -20.0515 -20.0515 -20.0514 -20.0514 -19.0645 -19.0645 -19.0636 -19.0636 -19.0238 -19.0238 -19.0237 -19.0237 -19.0159 -19.0159 -19.0149 -19.0149 -10.6281 -10.6281 -10.6274 -10.6274 -4.8930 -4.8930 -4.8900 -4.8900 -2.4154 -2.4154 -2.3759 -2.3759 -0.6886 -0.6886 -0.5823 -0.5823 -0.1908 -0.1908 -0.1358 -0.1358 4.2238 4.2238 4.4434 4.4434 5.6029 5.6029 5.7166 5.7166 k = 0.3158 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0901 -20.0901 -20.0890 -20.0890 -20.0515 -20.0515 -20.0513 -20.0513 -19.0646 -19.0646 -19.0638 -19.0638 -19.0238 -19.0238 -19.0237 -19.0237 -19.0158 -19.0158 -19.0148 -19.0148 -10.6152 -10.6152 -10.6145 -10.6145 -4.8433 -4.8432 -4.8404 -4.8404 -2.5042 -2.5042 -2.4670 -2.4670 -0.7768 -0.7768 -0.6893 -0.6893 -0.1794 -0.1794 -0.1407 -0.1407 4.3006 4.3006 4.5189 4.5189 5.6471 5.6471 5.7510 5.7510 k = 0.3289 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0902 -20.0902 -20.0891 -20.0891 -20.0515 -20.0515 -20.0513 -20.0513 -19.0648 -19.0648 -19.0640 -19.0640 -19.0238 -19.0238 -19.0237 -19.0237 -19.0157 -19.0157 -19.0148 -19.0148 -10.6027 -10.6027 -10.6020 -10.6020 -4.7926 -4.7926 -4.7900 -4.7900 -2.5896 -2.5896 -2.5547 -2.5547 -0.8670 -0.8670 -0.7934 -0.7933 -0.1667 -0.1667 -0.1392 -0.1392 4.3755 4.3755 4.5914 4.5914 5.6800 5.6800 5.7724 5.7725 k = 0.3421 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0902 -20.0902 -20.0892 -20.0892 -20.0514 -20.0514 -20.0513 -20.0513 -19.0649 -19.0649 -19.0641 -19.0641 -19.0238 -19.0238 -19.0237 -19.0237 -19.0155 -19.0155 -19.0147 -19.0147 -10.5906 -10.5906 -10.5900 -10.5900 -4.7412 -4.7412 -4.7389 -4.7389 -2.6715 -2.6715 -2.6388 -2.6388 -0.9564 -0.9564 -0.8932 -0.8932 -0.1536 -0.1536 -0.1338 -0.1338 4.4484 4.4484 4.6610 4.6610 5.7008 5.7008 5.7818 5.7818 k = 0.3553 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0513 -20.0513 -19.0650 -19.0650 -19.0643 -19.0643 -19.0238 -19.0238 -19.0236 -19.0236 -19.0154 -19.0154 -19.0146 -19.0146 -10.5791 -10.5791 -10.5785 -10.5785 -4.6896 -4.6896 -4.6875 -4.6875 -2.7497 -2.7496 -2.7191 -2.7191 -1.0429 -1.0429 -0.9880 -0.9880 -0.1406 -0.1406 -0.1263 -0.1263 4.5195 4.5195 4.7277 4.7277 5.7097 5.7097 5.7808 5.7808 k = 0.3684 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0512 -20.0512 -19.0651 -19.0651 -19.0645 -19.0645 -19.0237 -19.0237 -19.0236 -19.0236 -19.0153 -19.0153 -19.0146 -19.0146 -10.5682 -10.5682 -10.5677 -10.5677 -4.6380 -4.6380 -4.6363 -4.6363 -2.8239 -2.8239 -2.7956 -2.7956 -1.1252 -1.1252 -1.0773 -1.0772 -0.1279 -0.1279 -0.1175 -0.1175 4.5885 4.5886 4.7913 4.7913 5.7083 5.7083 5.7718 5.7718 k = 0.3816 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0902 -20.0902 -20.0894 -20.0894 -20.0513 -20.0513 -20.0512 -20.0512 -19.0652 -19.0652 -19.0646 -19.0646 -19.0237 -19.0237 -19.0236 -19.0236 -19.0152 -19.0152 -19.0145 -19.0145 -10.5581 -10.5581 -10.5576 -10.5576 -4.5869 -4.5869 -4.5856 -4.5856 -2.8940 -2.8940 -2.8679 -2.8679 -1.2023 -1.2022 -1.1603 -1.1603 -0.1158 -0.1158 -0.1084 -0.1084 4.6556 4.6556 4.8515 4.8515 5.6991 5.6991 5.7570 5.7570 k = 0.3947 0.5000 0.1713 ( 8248 PWs) bands (ev): -20.0902 -20.0902 -20.0895 -20.0895 -20.0513 -20.0513 -20.0512 -20.0512 -19.0653 -19.0653 -19.0648 -19.0648 -19.0237 -19.0237 -19.0236 -19.0236 -19.0151 -19.0151 -19.0145 -19.0145 -10.5488 -10.5488 -10.5483 -10.5483 -4.5370 -4.5370 -4.5360 -4.5360 -2.9597 -2.9597 -2.9359 -2.9359 -1.2732 -1.2731 -1.2366 -1.2366 -0.1045 -0.1045 -0.0992 -0.0992 4.7203 4.7203 4.9078 4.9078 5.6847 5.6848 5.7386 5.7386 k = 0.4079 0.5000 0.1713 ( 8248 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0513 -20.0513 -20.0512 -20.0512 -19.0654 -19.0654 -19.0649 -19.0649 -19.0237 -19.0237 -19.0236 -19.0236 -19.0150 -19.0150 -19.0144 -19.0144 -10.5404 -10.5404 -10.5399 -10.5399 -4.4888 -4.4888 -4.4882 -4.4882 -3.0206 -3.0206 -2.9991 -2.9991 -1.3372 -1.3372 -1.3056 -1.3056 -0.0942 -0.0942 -0.0904 -0.0904 4.7825 4.7825 4.9594 4.9594 5.6676 5.6676 5.7182 5.7182 k = 0.4211 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0512 -20.0512 -20.0512 -20.0512 -19.0655 -19.0655 -19.0650 -19.0650 -19.0237 -19.0237 -19.0236 -19.0236 -19.0149 -19.0149 -19.0144 -19.0144 -10.5329 -10.5329 -10.5325 -10.5325 -4.4434 -4.4434 -4.4431 -4.4431 -3.0760 -3.0760 -3.0571 -3.0571 -1.3938 -1.3938 -1.3669 -1.3669 -0.0850 -0.0850 -0.0823 -0.0823 4.8417 4.8417 5.0054 5.0054 5.6496 5.6496 5.6972 5.6972 k = 0.4342 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0902 -20.0902 -20.0897 -20.0897 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0651 -19.0651 -19.0237 -19.0236 -19.0236 -19.0236 -19.0148 -19.0148 -19.0144 -19.0144 -10.5265 -10.5265 -10.5262 -10.5262 -4.4016 -4.4016 -4.4016 -4.4016 -3.1253 -3.1253 -3.1091 -3.1091 -1.4423 -1.4423 -1.4200 -1.4200 -0.0769 -0.0769 -0.0752 -0.0752 4.8974 4.8974 5.0445 5.0445 5.6325 5.6325 5.6766 5.6766 k = 0.4474 0.5000 0.1713 ( 8228 PWs) bands (ev): -20.0902 -20.0902 -20.0898 -20.0898 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0652 -19.0652 -19.0236 -19.0236 -19.0236 -19.0236 -19.0147 -19.0147 -19.0144 -19.0144 -10.5211 -10.5211 -10.5209 -10.5209 -4.3649 -4.3649 -4.3646 -4.3646 -3.1677 -3.1676 -3.1543 -3.1543 -1.4823 -1.4823 -1.4645 -1.4645 -0.0703 -0.0703 -0.0691 -0.0691 4.9489 4.9489 5.0754 5.0754 5.6178 5.6179 5.6571 5.6571 k = 0.4605 0.5000 0.1713 ( 8236 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0653 -19.0653 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5169 -10.5169 -10.5167 -10.5167 -4.3342 -4.3342 -4.3339 -4.3339 -3.2019 -3.2019 -3.1916 -3.1916 -1.5134 -1.5133 -1.5000 -1.5000 -0.0650 -0.0650 -0.0642 -0.0642 4.9952 4.9952 5.0963 5.0963 5.6069 5.6069 5.6395 5.6395 k = 0.4737 0.5000 0.1713 ( 8240 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0654 -19.0654 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5139 -10.5139 -10.5138 -10.5138 -4.3110 -4.3110 -4.3106 -4.3106 -3.2269 -3.2269 -3.2200 -3.2200 -1.5351 -1.5351 -1.5263 -1.5262 -0.0611 -0.0611 -0.0607 -0.0607 5.0354 5.0354 5.1063 5.1063 5.6006 5.6006 5.6242 5.6242 k = 0.4868 0.5000 0.1713 ( 8232 PWs) bands (ev): -20.0901 -20.0901 -20.0900 -20.0900 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5120 -10.5120 -10.5120 -10.5120 -4.2964 -4.2964 -4.2962 -4.2962 -3.2418 -3.2417 -3.2382 -3.2382 -1.5474 -1.5474 -1.5430 -1.5430 -0.0588 -0.0588 -0.0586 -0.0586 5.0679 5.0679 5.1046 5.1046 5.5995 5.5995 5.6120 5.6120 k = 0.5000 0.5000 0.1713 ( 8248 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5501 -1.5501 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0914 5.0914 5.0914 5.0914 5.6035 5.6035 5.6035 5.6035 k = 0.5000 0.5000 0.1713 ( 8248 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5501 -1.5501 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0914 5.0914 5.0914 5.0914 5.6035 5.6035 5.6035 5.6035 k = 0.4906 0.4906 0.1713 ( 8240 PWs) bands (ev): -20.0901 -20.0901 -20.0900 -20.0900 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5129 -10.5129 -10.5111 -10.5111 -4.2966 -4.2966 -4.2962 -4.2962 -3.2447 -3.2447 -3.2349 -3.2349 -1.5495 -1.5495 -1.5406 -1.5406 -0.0605 -0.0605 -0.0568 -0.0568 5.0667 5.0667 5.1055 5.1055 5.5993 5.5993 5.6124 5.6124 k = 0.4811 0.4811 0.1713 ( 8236 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0654 -19.0654 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5173 -10.5173 -10.5104 -10.5104 -4.3121 -4.3121 -4.3103 -4.3103 -3.2412 -3.2411 -3.2046 -3.2046 -1.5461 -1.5461 -1.5144 -1.5144 -0.0684 -0.0684 -0.0535 -0.0535 5.0281 5.0281 5.1128 5.1128 5.5992 5.5993 5.6266 5.6266 k = 0.4717 0.4717 0.1713 ( 8240 PWs) bands (ev): -20.0901 -20.0901 -20.0899 -20.0899 -20.0512 -20.0512 -20.0511 -20.0511 -19.0656 -19.0656 -19.0653 -19.0653 -19.0236 -19.0236 -19.0236 -19.0236 -19.0146 -19.0146 -19.0144 -19.0144 -10.5248 -10.5248 -10.5092 -10.5092 -4.3372 -4.3372 -4.3319 -4.3319 -3.2352 -3.2352 -3.1561 -3.1561 -1.5404 -1.5404 -1.4715 -1.4715 -0.0813 -0.0813 -0.0481 -0.0481 4.9746 4.9746 5.1164 5.1164 5.6029 5.6029 5.6469 5.6470 k = 0.4623 0.4623 0.1713 ( 8238 PWs) bands (ev): -20.0902 -20.0902 -20.0898 -20.0898 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0652 -19.0652 -19.0237 -19.0237 -19.0236 -19.0236 -19.0147 -19.0147 -19.0144 -19.0144 -10.5351 -10.5351 -10.5076 -10.5076 -4.3708 -4.3708 -4.3587 -4.3587 -3.2268 -3.2268 -3.0916 -3.0916 -1.5324 -1.5324 -1.4130 -1.4130 -0.0991 -0.0991 -0.0404 -0.0404 4.9071 4.9071 5.1185 5.1185 5.6096 5.6096 5.6737 5.6737 k = 0.4528 0.4528 0.1713 ( 8236 PWs) bands (ev): -20.0902 -20.0902 -20.0897 -20.0897 -20.0512 -20.0512 -20.0511 -20.0511 -19.0655 -19.0655 -19.0651 -19.0651 -19.0237 -19.0237 -19.0235 -19.0235 -19.0148 -19.0148 -19.0144 -19.0144 -10.5482 -10.5482 -10.5055 -10.5055 -4.4119 -4.4119 -4.3887 -4.3887 -3.2161 -3.2161 -3.0135 -3.0135 -1.5222 -1.5222 -1.3403 -1.3403 -0.1215 -0.1215 -0.0306 -0.0306 4.8275 4.8275 5.1206 5.1206 5.6189 5.6189 5.7062 5.7063 k = 0.4434 0.4434 0.1713 ( 8228 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0513 -20.0513 -20.0512 -20.0512 -19.0654 -19.0654 -19.0650 -19.0650 -19.0237 -19.0237 -19.0235 -19.0235 -19.0149 -19.0149 -19.0144 -19.0144 -10.5641 -10.5641 -10.5029 -10.5029 -4.4590 -4.4590 -4.4198 -4.4198 -3.2031 -3.2031 -2.9237 -2.9237 -1.5097 -1.5097 -1.2547 -1.2547 -0.1480 -0.1480 -0.0186 -0.0186 4.7380 4.7380 5.1233 5.1233 5.6306 5.6306 5.7433 5.7434 k = 0.4340 0.4340 0.1713 ( 8236 PWs) bands (ev): -20.0902 -20.0902 -20.0896 -20.0896 -20.0513 -20.0513 -20.0512 -20.0512 -19.0654 -19.0654 -19.0649 -19.0649 -19.0238 -19.0238 -19.0235 -19.0235 -19.0151 -19.0150 -19.0144 -19.0144 -10.5827 -10.5827 -10.5000 -10.5000 -4.5108 -4.5108 -4.4506 -4.4506 -3.1877 -3.1877 -2.8242 -2.8242 -1.4950 -1.4950 -1.1580 -1.1580 -0.1782 -0.1782 -0.0043 -0.0043 4.6407 4.6407 5.1272 5.1272 5.6443 5.6443 5.7828 5.7828 k = 0.4245 0.4245 0.1713 ( 8232 PWs) bands (ev): -20.0902 -20.0902 -20.0895 -20.0895 -20.0513 -20.0513 -20.0512 -20.0512 -19.0653 -19.0653 -19.0648 -19.0648 -19.0238 -19.0238 -19.0235 -19.0235 -19.0152 -19.0152 -19.0144 -19.0144 -10.6037 -10.6037 -10.4966 -10.4966 -4.5662 -4.5662 -4.4799 -4.4799 -3.1700 -3.1700 -2.7161 -2.7161 -1.4780 -1.4780 -1.0519 -1.0519 -0.2112 -0.2112 0.0122 0.0122 4.5374 4.5374 5.1325 5.1325 5.6600 5.6600 5.8214 5.8214 k = 0.4151 0.4151 0.1713 ( 8228 PWs) bands (ev): -20.0902 -20.0902 -20.0894 -20.0894 -20.0514 -20.0514 -20.0512 -20.0512 -19.0652 -19.0652 -19.0646 -19.0646 -19.0239 -19.0239 -19.0234 -19.0234 -19.0153 -19.0153 -19.0144 -19.0144 -10.6272 -10.6272 -10.4930 -10.4930 -4.6239 -4.6239 -4.5068 -4.5068 -3.1500 -3.1500 -2.6007 -2.6007 -1.4590 -1.4590 -0.9383 -0.9382 -0.2461 -0.2461 0.0311 0.0311 4.4294 4.4294 5.1391 5.1391 5.6772 5.6772 5.8536 5.8536 k = 0.4057 0.4057 0.1713 ( 8254 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0514 -20.0514 -20.0512 -20.0512 -19.0651 -19.0651 -19.0645 -19.0645 -19.0240 -19.0240 -19.0234 -19.0234 -19.0155 -19.0155 -19.0145 -19.0145 -10.6529 -10.6529 -10.4890 -10.4890 -4.6829 -4.6829 -4.5307 -4.5307 -3.1278 -3.1278 -2.4789 -2.4789 -1.4378 -1.4378 -0.8198 -0.8198 -0.2810 -0.2810 0.0525 0.0525 4.3179 4.3179 5.1470 5.1470 5.6957 5.6957 5.8707 5.8707 k = 0.3962 0.3962 0.1713 ( 8258 PWs) bands (ev): -20.0902 -20.0902 -20.0893 -20.0893 -20.0515 -20.0515 -20.0512 -20.0512 -19.0650 -19.0650 -19.0643 -19.0643 -19.0241 -19.0241 -19.0233 -19.0233 -19.0157 -19.0157 -19.0145 -19.0145 -10.6808 -10.6808 -10.4847 -10.4847 -4.7425 -4.7425 -4.5512 -4.5512 -3.1033 -3.1033 -2.3517 -2.3517 -1.4144 -1.4144 -0.7015 -0.7015 -0.3117 -0.3117 0.0767 0.0767 4.2039 4.2039 5.1559 5.1559 5.7141 5.7141 5.8642 5.8642 k = 0.3868 0.3868 0.1713 ( 8254 PWs) bands (ev): -20.0902 -20.0902 -20.0892 -20.0892 -20.0515 -20.0515 -20.0513 -20.0513 -19.0649 -19.0649 -19.0642 -19.0642 -19.0241 -19.0241 -19.0233 -19.0233 -19.0158 -19.0158 -19.0146 -19.0146 -10.7106 -10.7106 -10.4801 -10.4801 -4.8017 -4.8017 -4.5679 -4.5679 -3.0766 -3.0766 -2.2199 -2.2199 -1.3891 -1.3891 -0.5964 -0.5964 -0.3261 -0.3261 0.1040 0.1040 4.0881 4.0881 5.1653 5.1653 5.7281 5.7281 5.8364 5.8364 k = 0.3774 0.3774 0.1713 ( 8254 PWs) bands (ev): -20.0902 -20.0902 -20.0891 -20.0891 -20.0516 -20.0516 -20.0513 -20.0513 -19.0647 -19.0647 -19.0640 -19.0640 -19.0242 -19.0242 -19.0232 -19.0232 -19.0160 -19.0160 -19.0146 -19.0146 -10.7421 -10.7421 -10.4754 -10.4754 -4.8600 -4.8600 -4.5807 -4.5807 -3.0478 -3.0478 -2.0844 -2.0844 -1.3617 -1.3617 -0.5372 -0.5372 -0.2925 -0.2925 0.1356 0.1356 3.9712 3.9712 5.1745 5.1745 5.7170 5.7171 5.8111 5.8111 k = 0.3679 0.3679 0.1713 ( 8250 PWs) bands (ev): -20.0902 -20.0902 -20.0890 -20.0890 -20.0516 -20.0516 -20.0513 -20.0513 -19.0646 -19.0646 -19.0638 -19.0638 -19.0243 -19.0243 -19.0231 -19.0231 -19.0162 -19.0162 -19.0147 -19.0147 -10.7753 -10.7753 -10.4705 -10.4705 -4.9168 -4.9168 -4.5893 -4.5893 -3.0169 -3.0169 -1.9464 -1.9464 -1.3324 -1.3324 -0.5371 -0.5371 -0.1999 -0.1999 0.1732 0.1732 3.8541 3.8541 5.1826 5.1826 5.6559 5.6559 5.8172 5.8172 k = 0.3585 0.3585 0.1713 ( 8252 PWs) bands (ev): -20.0902 -20.0902 -20.0890 -20.0890 -20.0517 -20.0517 -20.0513 -20.0513 -19.0644 -19.0644 -19.0637 -19.0637 -19.0244 -19.0244 -19.0231 -19.0231 -19.0165 -19.0165 -19.0147 -19.0147 -10.8099 -10.8099 -10.4655 -10.4655 -4.9716 -4.9716 -4.5937 -4.5937 -2.9839 -2.9839 -1.8074 -1.8074 -1.3012 -1.3012 -0.5626 -0.5626 -0.0857 -0.0857 0.2214 0.2214 3.7375 3.7375 5.1880 5.1880 5.5662 5.5662 5.8379 5.8379 k = 0.3491 0.3491 0.1713 ( 8256 PWs) bands (ev): -20.0901 -20.0901 -20.0889 -20.0889 -20.0518 -20.0518 -20.0514 -20.0514 -19.0643 -19.0643 -19.0635 -19.0635 -19.0245 -19.0245 -19.0230 -19.0230 -19.0167 -19.0167 -19.0148 -19.0148 -10.8458 -10.8458 -10.4605 -10.4605 -5.0240 -5.0240 -4.5939 -4.5939 -2.9489 -2.9489 -1.6699 -1.6699 -1.2681 -1.2681 -0.5929 -0.5929 0.0223 0.0223 0.2881 0.2881 3.6223 3.6223 5.1881 5.1881 5.4634 5.4634 5.8610 5.8610 k = 0.3396 0.3396 0.1713 ( 8238 PWs) bands (ev): -20.0901 -20.0901 -20.0888 -20.0888 -20.0519 -20.0519 -20.0514 -20.0514 -19.0641 -19.0641 -19.0634 -19.0634 -19.0246 -19.0246 -19.0229 -19.0229 -19.0169 -19.0169 -19.0149 -19.0149 -10.8827 -10.8827 -10.4554 -10.4554 -5.0736 -5.0736 -4.5897 -4.5897 -2.9119 -2.9119 -1.5375 -1.5375 -1.2333 -1.2333 -0.6190 -0.6190 0.1085 0.1085 0.3821 0.3821 3.5097 3.5097 5.1779 5.1779 5.3564 5.3564 5.8784 5.8784 k = 0.3302 0.3302 0.1713 ( 8222 PWs) bands (ev): -20.0901 -20.0901 -20.0888 -20.0888 -20.0519 -20.0519 -20.0514 -20.0514 -19.0640 -19.0640 -19.0633 -19.0633 -19.0247 -19.0247 -19.0228 -19.0228 -19.0172 -19.0172 -19.0149 -19.0149 -10.9206 -10.9206 -10.4503 -10.4503 -5.1203 -5.1203 -4.5814 -4.5814 -2.8731 -2.8731 -1.4165 -1.4165 -1.1969 -1.1969 -0.6325 -0.6325 0.1718 0.1718 0.5006 0.5006 3.4011 3.4011 5.1435 5.1435 5.2591 5.2591 5.8718 5.8718 k = 0.3208 0.3208 0.1713 ( 8222 PWs) bands (ev): -20.0901 -20.0901 -20.0887 -20.0887 -20.0520 -20.0520 -20.0515 -20.0515 -19.0638 -19.0638 -19.0631 -19.0631 -19.0248 -19.0248 -19.0227 -19.0227 -19.0174 -19.0174 -19.0150 -19.0150 -10.9591 -10.9591 -10.4453 -10.4453 -5.1636 -5.1636 -4.5688 -4.5688 -2.8324 -2.8324 -1.3168 -1.3168 -1.1590 -1.1590 -0.6230 -0.6230 0.2212 0.2212 0.6315 0.6315 3.2986 3.2986 5.0629 5.0629 5.1915 5.1915 5.8361 5.8361 k = 0.3113 0.3113 0.1713 ( 8226 PWs) bands (ev): -20.0900 -20.0900 -20.0887 -20.0887 -20.0521 -20.0521 -20.0515 -20.0515 -19.0637 -19.0637 -19.0630 -19.0630 -19.0249 -19.0249 -19.0226 -19.0226 -19.0177 -19.0177 -19.0151 -19.0151 -10.9983 -10.9983 -10.4404 -10.4404 -5.2034 -5.2034 -4.5521 -4.5521 -2.7900 -2.7900 -1.2495 -1.2495 -1.1196 -1.1196 -0.5792 -0.5792 0.2635 0.2635 0.7648 0.7648 3.2048 3.2048 4.9527 4.9527 5.1341 5.1341 5.7929 5.7929 k = 0.3019 0.3019 0.1713 ( 8226 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0522 -20.0522 -20.0515 -20.0515 -19.0636 -19.0636 -19.0629 -19.0629 -19.0251 -19.0251 -19.0224 -19.0224 -19.0179 -19.0179 -19.0152 -19.0152 -11.0378 -11.0378 -10.4357 -10.4357 -5.2395 -5.2395 -4.5313 -4.5313 -2.7460 -2.7460 -1.2196 -1.2196 -1.0786 -1.0786 -0.4964 -0.4964 0.3020 0.3020 0.8930 0.8930 3.1232 3.1232 4.8348 4.8349 5.0632 5.0632 5.7552 5.7552 k = 0.2925 0.2925 0.1713 ( 8226 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0523 -20.0523 -20.0516 -20.0516 -19.0634 -19.0634 -19.0628 -19.0628 -19.0252 -19.0252 -19.0223 -19.0223 -19.0182 -19.0182 -19.0152 -19.0152 -11.0775 -11.0775 -10.4312 -10.4312 -5.2718 -5.2718 -4.5065 -4.5065 -2.7003 -2.7003 -1.2207 -1.2207 -1.0361 -1.0360 -0.3811 -0.3811 0.3378 0.3378 1.0100 1.0100 3.0583 3.0583 4.7162 4.7162 4.9729 4.9729 5.7281 5.7281 k = 0.2830 0.2830 0.1713 ( 8224 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0524 -20.0524 -20.0516 -20.0516 -19.0633 -19.0633 -19.0627 -19.0627 -19.0253 -19.0253 -19.0222 -19.0222 -19.0185 -19.0185 -19.0153 -19.0153 -11.1173 -11.1173 -10.4269 -10.4269 -5.3002 -5.3002 -4.4777 -4.4777 -2.6532 -2.6532 -1.2421 -1.2421 -0.9922 -0.9922 -0.2445 -0.2445 0.3712 0.3712 1.1096 1.1096 3.0156 3.0156 4.5992 4.5992 4.8653 4.8653 5.7116 5.7116 k = 0.2736 0.2736 0.1713 ( 8218 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0525 -20.0525 -20.0517 -20.0517 -19.0632 -19.0632 -19.0626 -19.0626 -19.0254 -19.0254 -19.0220 -19.0220 -19.0188 -19.0188 -19.0154 -19.0154 -11.1571 -11.1571 -10.4229 -10.4229 -5.3245 -5.3245 -4.4452 -4.4452 -2.6047 -2.6047 -1.2753 -1.2753 -0.9474 -0.9474 -0.0953 -0.0953 0.4019 0.4019 1.1862 1.1862 3.0006 3.0006 4.4854 4.4854 4.7448 4.7448 5.7034 5.7034 k = 0.2642 0.2642 0.1713 ( 8216 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0526 -20.0526 -20.0517 -20.0517 -19.0631 -19.0631 -19.0625 -19.0625 -19.0255 -19.0255 -19.0218 -19.0218 -19.0190 -19.0190 -19.0155 -19.0155 -11.1966 -11.1966 -10.4192 -10.4192 -5.3448 -5.3448 -4.4089 -4.4089 -2.5549 -2.5549 -1.3154 -1.3154 -0.9015 -0.9015 0.0602 0.0602 0.4291 0.4291 1.2361 1.2361 3.0173 3.0173 4.3758 4.3758 4.6167 4.6167 5.7005 5.7005 k = 0.2547 0.2547 0.1713 ( 8218 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0527 -20.0527 -20.0518 -20.0518 -19.0630 -19.0630 -19.0625 -19.0625 -19.0256 -19.0256 -19.0217 -19.0217 -19.0193 -19.0193 -19.0155 -19.0155 -11.2358 -11.2358 -10.4158 -10.4158 -5.3609 -5.3609 -4.3690 -4.3690 -2.5040 -2.5040 -1.3592 -1.3592 -0.8548 -0.8548 0.2171 0.2171 0.4523 0.4523 1.2591 1.2591 3.0660 3.0660 4.2713 4.2713 4.4859 4.4859 5.7004 5.7004 k = 0.2453 0.2453 0.1713 ( 8202 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0528 -20.0528 -20.0518 -20.0518 -19.0629 -19.0629 -19.0624 -19.0624 -19.0257 -19.0257 -19.0215 -19.0215 -19.0196 -19.0196 -19.0156 -19.0156 -11.2745 -11.2745 -10.4127 -10.4127 -5.3730 -5.3730 -4.3256 -4.3256 -2.4521 -2.4521 -1.4049 -1.4049 -0.8074 -0.8074 0.3657 0.3657 0.4756 0.4756 1.2596 1.2596 3.1429 3.1429 4.1734 4.1734 4.3577 4.3577 5.7013 5.7013 k = 0.2358 0.2358 0.1713 ( 8200 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0529 -20.0529 -20.0519 -20.0519 -19.0628 -19.0628 -19.0624 -19.0624 -19.0258 -19.0258 -19.0213 -19.0213 -19.0199 -19.0199 -19.0157 -19.0157 -11.3126 -11.3126 -10.4100 -10.4100 -5.3809 -5.3809 -4.2789 -4.2789 -2.3993 -2.3993 -1.4515 -1.4515 -0.7595 -0.7595 0.4421 0.4421 0.5572 0.5572 1.2452 1.2452 3.2390 3.2390 4.0837 4.0837 4.2383 4.2383 5.7017 5.7017 k = 0.2264 0.2264 0.1713 ( 8212 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0530 -20.0530 -20.0519 -20.0519 -19.0628 -19.0628 -19.0624 -19.0624 -19.0259 -19.0259 -19.0212 -19.0212 -19.0202 -19.0202 -19.0158 -19.0158 -11.3500 -11.3500 -10.4077 -10.4077 -5.3847 -5.3847 -4.2289 -4.2289 -2.3459 -2.3459 -1.4982 -1.4982 -0.7112 -0.7112 0.4395 0.4395 0.6970 0.6970 1.2252 1.2252 3.3399 3.3399 4.0036 4.0036 4.1388 4.1388 5.7006 5.7006 k = 0.2170 0.2170 0.1713 ( 8220 PWs) bands (ev): -20.0899 -20.0899 -20.0884 -20.0884 -20.0531 -20.0531 -20.0520 -20.0520 -19.0627 -19.0627 -19.0624 -19.0624 -19.0260 -19.0260 -19.0210 -19.0210 -19.0204 -19.0204 -19.0159 -19.0159 -11.3865 -11.3865 -10.4057 -10.4057 -5.3846 -5.3846 -4.1758 -4.1758 -2.2918 -2.2918 -1.5444 -1.5444 -0.6626 -0.6626 0.4118 0.4118 0.8342 0.8342 1.2086 1.2086 3.4229 3.4229 3.9309 3.9309 4.0831 4.0831 5.6974 5.6975 k = 0.2075 0.2075 0.1713 ( 8210 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0532 -20.0532 -20.0520 -20.0520 -19.0627 -19.0627 -19.0624 -19.0624 -19.0261 -19.0261 -19.0209 -19.0209 -19.0206 -19.0206 -19.0160 -19.0160 -11.4222 -11.4222 -10.4041 -10.4041 -5.3805 -5.3805 -4.1198 -4.1198 -2.2375 -2.2375 -1.5897 -1.5897 -0.6141 -0.6141 0.3636 0.3636 0.9570 0.9570 1.2030 1.2030 3.4616 3.4616 3.8609 3.8609 4.1020 4.1020 5.6921 5.6921 k = 0.1981 0.1981 0.1713 ( 8210 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0533 -20.0533 -20.0521 -20.0521 -19.0627 -19.0627 -19.0624 -19.0624 -19.0262 -19.0262 -19.0211 -19.0211 -19.0205 -19.0205 -19.0160 -19.0160 -11.4568 -11.4568 -10.4029 -10.4029 -5.3727 -5.3727 -4.0611 -4.0611 -2.1830 -2.1830 -1.6339 -1.6339 -0.5657 -0.5657 0.2967 0.2967 1.0551 1.0551 1.2157 1.2157 3.4507 3.4507 3.7996 3.7996 4.1964 4.1964 5.6847 5.6847 k = 0.1887 0.1887 0.1713 ( 8212 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0534 -20.0534 -20.0522 -20.0522 -19.0627 -19.0627 -19.0624 -19.0624 -19.0263 -19.0263 -19.0213 -19.0213 -19.0204 -19.0204 -19.0161 -19.0161 -11.4903 -11.4903 -10.4020 -10.4020 -5.3612 -5.3612 -3.9998 -3.9998 -2.1285 -2.1285 -1.6766 -1.6766 -0.5177 -0.5177 0.2142 0.2142 1.1176 1.1176 1.2525 1.2525 3.4105 3.4105 3.7552 3.7552 4.3396 4.3396 5.6757 5.6757 k = 0.1792 0.1792 0.1713 ( 8226 PWs) bands (ev): -20.0899 -20.0899 -20.0885 -20.0885 -20.0535 -20.0535 -20.0522 -20.0522 -19.0627 -19.0627 -19.0624 -19.0624 -19.0263 -19.0263 -19.0216 -19.0216 -19.0202 -19.0202 -19.0162 -19.0162 -11.5226 -11.5226 -10.4014 -10.4014 -5.3463 -5.3463 -3.9361 -3.9361 -2.0745 -2.0745 -1.7176 -1.7176 -0.4705 -0.4705 0.1200 0.1200 1.1508 1.1508 1.3008 1.3008 3.3598 3.3598 3.7339 3.7339 4.5091 4.5091 5.6652 5.6652 k = 0.1698 0.1698 0.1713 ( 8226 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0536 -20.0536 -20.0523 -20.0523 -19.0627 -19.0627 -19.0625 -19.0625 -19.0264 -19.0264 -19.0218 -19.0218 -19.0200 -19.0200 -19.0163 -19.0163 -11.5537 -11.5537 -10.4012 -10.4012 -5.3281 -5.3281 -3.8704 -3.8704 -2.0212 -2.0212 -1.7566 -1.7566 -0.4244 -0.4244 0.0177 0.0177 1.1697 1.1697 1.3408 1.3408 3.3069 3.3069 3.7407 3.7407 4.6925 4.6925 5.6535 5.6535 k = 0.1604 0.1604 0.1713 ( 8236 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0536 -20.0536 -20.0523 -20.0523 -19.0627 -19.0627 -19.0625 -19.0625 -19.0265 -19.0265 -19.0221 -19.0221 -19.0199 -19.0199 -19.0163 -19.0163 -11.5834 -11.5834 -10.4012 -10.4012 -5.3069 -5.3069 -3.8027 -3.8027 -1.9694 -1.9694 -1.7930 -1.7930 -0.3803 -0.3803 -0.0888 -0.0888 1.1768 1.1768 1.3674 1.3674 3.2546 3.2546 3.7783 3.7783 4.8830 4.8830 5.6409 5.6409 k = 0.1509 0.1509 0.1713 ( 8234 PWs) bands (ev): -20.0900 -20.0900 -20.0885 -20.0885 -20.0537 -20.0537 -20.0524 -20.0524 -19.0627 -19.0627 -19.0626 -19.0626 -19.0265 -19.0265 -19.0223 -19.0223 -19.0197 -19.0197 -19.0164 -19.0164 -11.6117 -11.6117 -10.4015 -10.4015 -5.2830 -5.2830 -3.7336 -3.7336 -1.9212 -1.9212 -1.8248 -1.8248 -0.3417 -0.3417 -0.1941 -0.1941 1.1670 1.1670 1.3863 1.3863 3.2036 3.2036 3.8463 3.8463 5.0763 5.0763 5.6278 5.6278 k = 0.1415 0.1415 0.1713 ( 8234 PWs) bands (ev): -20.0900 -20.0900 -20.0886 -20.0886 -20.0538 -20.0538 -20.0524 -20.0524 -19.0627 -19.0627 -19.0626 -19.0626 -19.0265 -19.0265 -19.0226 -19.0226 -19.0195 -19.0195 -19.0165 -19.0165 -11.6386 -11.6386 -10.4020 -10.4020 -5.2566 -5.2566 -3.6632 -3.6632 -1.8917 -1.8917 -1.8371 -1.8371 -0.3454 -0.3454 -0.2594 -0.2593 1.1350 1.1350 1.4054 1.4054 3.1542 3.1542 3.9413 3.9413 5.2683 5.2683 5.6150 5.6150 k = 0.1321 0.1321 0.1713 ( 8252 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0539 -20.0539 -20.0525 -20.0525 -19.0628 -19.0628 -19.0627 -19.0627 -19.0266 -19.0266 -19.0228 -19.0228 -19.0194 -19.0194 -19.0166 -19.0166 -11.6640 -11.6640 -10.4027 -10.4027 -5.2282 -5.2282 -3.5921 -3.5921 -1.9064 -1.9064 -1.8047 -1.8047 -0.4380 -0.4380 -0.2368 -0.2368 1.0813 1.0813 1.4285 1.4285 3.1070 3.1070 4.0584 4.0584 5.4517 5.4517 5.6058 5.6058 k = 0.1226 0.1226 0.1713 ( 8252 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0539 -20.0539 -20.0526 -20.0526 -19.0628 -19.0628 -19.0627 -19.0627 -19.0266 -19.0266 -19.0230 -19.0230 -19.0192 -19.0192 -19.0166 -19.0166 -11.6878 -11.6878 -10.4035 -10.4035 -5.1981 -5.1981 -3.5205 -3.5205 -1.9322 -1.9322 -1.7608 -1.7608 -0.5439 -0.5439 -0.2009 -0.2009 1.0105 1.0105 1.4554 1.4554 3.0623 3.0623 4.1922 4.1922 5.5648 5.5648 5.6522 5.6522 k = 0.1132 0.1132 0.1713 ( 8244 PWs) bands (ev): -20.0901 -20.0901 -20.0886 -20.0886 -20.0540 -20.0540 -20.0526 -20.0526 -19.0629 -19.0629 -19.0628 -19.0628 -19.0266 -19.0266 -19.0232 -19.0232 -19.0191 -19.0191 -19.0167 -19.0167 -11.7100 -11.7100 -10.4045 -10.4045 -5.1668 -5.1668 -3.4492 -3.4492 -1.9577 -1.9577 -1.7171 -1.7171 -0.6485 -0.6485 -0.1654 -0.1654 0.9283 0.9283 1.4843 1.4843 3.0203 3.0203 4.3373 4.3373 5.5639 5.5640 5.7529 5.7529 k = 0.1038 0.1038 0.1713 ( 8258 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0629 -19.0629 -19.0629 -19.0629 -19.0266 -19.0266 -19.0234 -19.0234 -19.0190 -19.0190 -19.0167 -19.0167 -11.7306 -11.7306 -10.4055 -10.4055 -5.1347 -5.1347 -3.3786 -3.3786 -1.9814 -1.9814 -1.6756 -1.6756 -0.7492 -0.7492 -0.1320 -0.1320 0.8395 0.8395 1.5140 1.5140 2.9814 2.9814 4.4890 4.4890 5.5540 5.5540 5.7860 5.7860 k = 0.0943 0.0943 0.1713 ( 8256 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0541 -20.0541 -20.0527 -20.0527 -19.0630 -19.0630 -19.0629 -19.0629 -19.0266 -19.0266 -19.0236 -19.0236 -19.0189 -19.0189 -19.0168 -19.0168 -11.7495 -11.7495 -10.4066 -10.4066 -5.1023 -5.1023 -3.3095 -3.3095 -2.0028 -2.0028 -1.6371 -1.6371 -0.8444 -0.8444 -0.1017 -0.1017 0.7482 0.7482 1.5433 1.5433 2.9456 2.9456 4.6426 4.6426 5.5446 5.5446 5.8060 5.8060 k = 0.0849 0.0849 0.1713 ( 8252 PWs) bands (ev): -20.0902 -20.0902 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0630 -19.0630 -19.0630 -19.0630 -19.0266 -19.0266 -19.0238 -19.0238 -19.0188 -19.0188 -19.0168 -19.0168 -11.7667 -11.7667 -10.4077 -10.4077 -5.0703 -5.0703 -3.2427 -3.2427 -2.0217 -2.0217 -1.6024 -1.6024 -0.9328 -0.9328 -0.0751 -0.0751 0.6579 0.6579 1.5714 1.5714 2.9131 2.9131 4.7932 4.7932 5.5372 5.5372 5.7839 5.7839 k = 0.0755 0.0755 0.1713 ( 8244 PWs) bands (ev): -20.0903 -20.0903 -20.0887 -20.0887 -20.0542 -20.0542 -20.0528 -20.0528 -19.0631 -19.0631 -19.0630 -19.0630 -19.0266 -19.0266 -19.0240 -19.0240 -19.0187 -19.0187 -19.0168 -19.0168 -11.7821 -11.7821 -10.4087 -10.4087 -5.0392 -5.0392 -3.1790 -3.1790 -2.0380 -2.0380 -1.5723 -1.5723 -1.0130 -1.0130 -0.0530 -0.0530 0.5718 0.5718 1.5979 1.5979 2.8840 2.8840 4.9357 4.9357 5.5333 5.5333 5.7282 5.7282 k = 0.0660 0.0660 0.1713 ( 8248 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0528 -20.0528 -19.0631 -19.0631 -19.0631 -19.0631 -19.0266 -19.0266 -19.0241 -19.0241 -19.0186 -19.0186 -19.0169 -19.0168 -11.7958 -11.7958 -10.4098 -10.4098 -5.0097 -5.0097 -3.1193 -3.1193 -2.0517 -2.0517 -1.5476 -1.5476 -1.0836 -1.0836 -0.0363 -0.0363 0.4927 0.4927 1.6222 1.6222 2.8583 2.8583 5.0638 5.0638 5.5345 5.5345 5.6757 5.6757 k = 0.0566 0.0566 0.1713 ( 8256 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0631 -19.0631 -19.0266 -19.0266 -19.0243 -19.0243 -19.0185 -19.0185 -19.0169 -19.0169 -11.8077 -11.8077 -10.4107 -10.4107 -4.9824 -4.9824 -3.0648 -3.0648 -2.0628 -2.0628 -1.5293 -1.5293 -1.1430 -1.1430 -0.0259 -0.0259 0.4234 0.4234 1.6440 1.6440 2.8360 2.8360 5.1705 5.1705 5.5426 5.5426 5.6283 5.6283 k = 0.0472 0.0472 0.1713 ( 8258 PWs) bands (ev): -20.0903 -20.0903 -20.0888 -20.0888 -20.0543 -20.0543 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0244 -19.0244 -19.0185 -19.0185 -19.0169 -19.0169 -11.8178 -11.8178 -10.4115 -10.4115 -4.9579 -4.9579 -3.0164 -3.0164 -2.0715 -2.0715 -1.5183 -1.5183 -1.1899 -1.1899 -0.0226 -0.0226 0.3666 0.3666 1.6628 1.6628 2.8172 2.8172 5.2498 5.2498 5.5588 5.5588 5.5870 5.5871 k = 0.0377 0.0377 0.1713 ( 8260 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0529 -20.0529 -19.0632 -19.0632 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8261 -11.8261 -10.4123 -10.4123 -4.9368 -4.9368 -2.9752 -2.9752 -2.0780 -2.0780 -1.5145 -1.5145 -1.2239 -1.2239 -0.0262 -0.0262 0.3236 0.3236 1.6786 1.6786 2.8018 2.8018 5.3009 5.3009 5.5521 5.5521 5.5808 5.5808 k = 0.0283 0.0283 0.1713 ( 8256 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0246 -19.0246 -19.0184 -19.0184 -19.0169 -19.0169 -11.8326 -11.8326 -10.4128 -10.4128 -4.9198 -4.9198 -2.9421 -2.9421 -2.0824 -2.0824 -1.5165 -1.5165 -1.2458 -1.2458 -0.0348 -0.0348 0.2941 0.2941 1.6911 1.6911 2.7898 2.7898 5.3301 5.3301 5.5247 5.5247 5.6019 5.6019 k = 0.0189 0.0189 0.1713 ( 8260 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0632 -19.0632 -19.0265 -19.0265 -19.0247 -19.0247 -19.0184 -19.0184 -19.0169 -19.0169 -11.8372 -11.8372 -10.4133 -10.4133 -4.9073 -4.9073 -2.9178 -2.9178 -2.0853 -2.0853 -1.5214 -1.5214 -1.2583 -1.2583 -0.0450 -0.0450 0.2760 0.2760 1.7001 1.7001 2.7813 2.7813 5.3454 5.3454 5.5049 5.5049 5.6176 5.6176 k = 0.0094 0.0094 0.1713 ( 8270 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8400 -11.8400 -10.4135 -10.4135 -4.8996 -4.8996 -2.9031 -2.9031 -2.0868 -2.0868 -1.5259 -1.5259 -1.2644 -1.2644 -0.0529 -0.0529 0.2665 0.2665 1.7056 1.7056 2.7761 2.7761 5.3526 5.3526 5.4929 5.4929 5.6267 5.6267 k = 0.0000 0.0000 0.1713 ( 8260 PWs) bands (ev): -20.0904 -20.0904 -20.0888 -20.0888 -20.0544 -20.0544 -20.0530 -20.0530 -19.0633 -19.0633 -19.0633 -19.0633 -19.0264 -19.0264 -19.0248 -19.0248 -19.0184 -19.0184 -19.0169 -19.0169 -11.8409 -11.8409 -10.4136 -10.4136 -4.8970 -4.8970 -2.8981 -2.8981 -2.0873 -2.0873 -1.5276 -1.5276 -1.2662 -1.2662 -0.0559 -0.0559 0.2636 0.2636 1.7074 1.7074 2.7744 2.7744 5.3547 5.3547 5.4889 5.4889 5.6296 5.6296 k = 0.0000 0.5000-0.0000 ( 8238 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6888 -0.6888 -0.6888 -0.6888 0.1716 0.1716 0.1716 0.1716 1.0962 1.0962 1.0962 1.0962 3.3144 3.3144 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0132 ( 8236 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6888 -0.6888 -0.6888 -0.6888 0.1716 0.1716 0.1716 0.1716 1.0962 1.0962 1.0962 1.0962 3.3144 3.3144 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0263 ( 8230 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6887 -0.6887 -0.6887 -0.6887 0.1716 0.1716 0.1716 0.1716 1.0961 1.0961 1.0961 1.0961 3.3145 3.3145 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0395 ( 8250 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6887 -0.6887 -0.6887 -0.6887 0.1716 0.1716 0.1716 0.1716 1.0961 1.0961 1.0961 1.0961 3.3145 3.3145 3.3145 3.3145 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0527 ( 8238 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6887 -0.6887 -0.6887 -0.6887 0.1716 0.1716 0.1716 0.1716 1.0961 1.0961 1.0961 1.0961 3.3146 3.3146 3.3146 3.3146 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0659 ( 8232 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6886 -0.6886 -0.6886 -0.6886 0.1716 0.1716 0.1716 0.1716 1.0960 1.0960 1.0960 1.0960 3.3147 3.3147 3.3147 3.3147 3.9320 3.9320 3.9320 3.9320 k = 0.0000 0.5000 0.0790 ( 8222 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6886 -0.6886 -0.6885 -0.6885 0.1716 0.1716 0.1716 0.1716 1.0959 1.0959 1.0960 1.0960 3.3147 3.3147 3.3147 3.3147 3.9319 3.9319 3.9320 3.9320 k = 0.0000 0.5000 0.0922 ( 8226 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6885 -0.6885 -0.6885 -0.6885 0.1716 0.1716 0.1716 0.1716 1.0959 1.0959 1.0959 1.0959 3.3148 3.3148 3.3148 3.3148 3.9319 3.9319 3.9320 3.9320 k = 0.0000 0.5000 0.1054 ( 8238 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6884 -0.6884 -0.6884 -0.6884 0.1716 0.1716 0.1716 0.1716 1.0958 1.0958 1.0958 1.0958 3.3149 3.3149 3.3149 3.3149 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1186 ( 8234 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6884 -0.6884 -0.6884 -0.6884 0.1716 0.1716 0.1716 0.1716 1.0958 1.0958 1.0958 1.0958 3.3150 3.3150 3.3150 3.3150 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1317 ( 8214 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3150 3.3150 3.3150 3.3150 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1449 ( 8226 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3151 3.3151 3.3151 3.3151 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1581 ( 8244 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3151 3.3151 3.3151 3.3151 3.9319 3.9319 3.9319 3.9319 k = 0.0000 0.5000 0.1713 ( 8244 PWs) bands (ev): -20.0887 -20.0887 -20.0887 -20.0887 -20.0520 -20.0520 -20.0520 -20.0520 -19.0619 -19.0619 -19.0619 -19.0619 -19.0240 -19.0240 -19.0240 -19.0240 -19.0165 -19.0165 -19.0165 -19.0165 -10.8360 -10.8360 -10.8360 -10.8360 -5.5075 -5.5075 -5.5075 -5.5075 -0.6883 -0.6883 -0.6883 -0.6883 0.1716 0.1716 0.1716 0.1716 1.0957 1.0957 1.0957 1.0957 3.3151 3.3151 3.3151 3.3151 3.9319 3.9319 3.9319 3.9319 k = 0.5000 0.5000-0.0000 ( 8288 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0582 -0.0582 -0.0582 -0.0582 5.1012 5.1012 5.1012 5.1012 5.5898 5.5898 5.5898 5.5898 k = 0.5000 0.5000 0.0132 ( 8296 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0582 -0.0582 -0.0582 -0.0582 5.1011 5.1011 5.1011 5.1011 5.5900 5.5900 5.5900 5.5900 k = 0.5000 0.5000 0.0263 ( 8272 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0144 -19.0144 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0581 -0.0581 -0.0581 -0.0581 5.1006 5.1006 5.1006 5.1006 5.5906 5.5906 5.5906 5.5906 k = 0.5000 0.5000 0.0395 ( 8248 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0581 -0.0581 -0.0581 -0.0581 5.1000 5.1000 5.1000 5.1000 5.5915 5.5915 5.5915 5.5915 k = 0.5000 0.5000 0.0527 ( 8244 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0581 -0.0581 -0.0581 -0.0581 5.0991 5.0991 5.0991 5.0991 5.5927 5.5927 5.5927 5.5927 k = 0.5000 0.5000 0.0659 ( 8232 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0581 -0.0581 -0.0581 -0.0581 5.0980 5.0980 5.0980 5.0980 5.5941 5.5941 5.5941 5.5941 k = 0.5000 0.5000 0.0790 ( 8244 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0580 -0.0580 -0.0580 -0.0580 5.0969 5.0969 5.0969 5.0969 5.5957 5.5957 5.5957 5.5957 k = 0.5000 0.5000 0.0922 ( 8244 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0580 -0.0580 -0.0580 -0.0580 5.0957 5.0957 5.0957 5.0957 5.5974 5.5974 5.5974 5.5974 k = 0.5000 0.5000 0.1054 ( 8244 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0580 -0.0580 -0.0580 -0.0580 5.0946 5.0946 5.0946 5.0946 5.5990 5.5990 5.5990 5.5990 k = 0.5000 0.5000 0.1186 ( 8252 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0580 -0.0580 -0.0580 -0.0580 5.0935 5.0935 5.0935 5.0935 5.6005 5.6005 5.6005 5.6005 k = 0.5000 0.5000 0.1317 ( 8252 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0927 5.0927 5.0927 5.0927 5.6017 5.6017 5.6017 5.6017 k = 0.5000 0.5000 0.1449 ( 8252 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5500 -1.5500 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0920 5.0920 5.0920 5.0920 5.6027 5.6027 5.6027 5.6027 k = 0.5000 0.5000 0.1581 ( 8236 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5501 -1.5501 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0916 5.0916 5.0916 5.0916 5.6033 5.6033 5.6033 5.6033 k = 0.5000 0.5000 0.1713 ( 8248 PWs) bands (ev): -20.0900 -20.0900 -20.0900 -20.0900 -20.0511 -20.0511 -20.0511 -20.0511 -19.0655 -19.0655 -19.0655 -19.0655 -19.0236 -19.0236 -19.0236 -19.0236 -19.0145 -19.0145 -19.0145 -19.0145 -10.5114 -10.5114 -10.5114 -10.5114 -4.2913 -4.2913 -4.2913 -4.2913 -3.2456 -3.2456 -3.2456 -3.2456 -1.5501 -1.5501 -1.5500 -1.5500 -0.0579 -0.0579 -0.0579 -0.0579 5.0914 5.0914 5.0914 5.0914 5.6035 5.6035 5.6035 5.6035 Writing output data file SnSe.save init_run : 5.09s CPU 13.31s WALL ( 1 calls) electrons : 668.73s CPU 674.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 668.69s CPU 674.64s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.48s WALL ( 1 calls) newd : 0.46s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 306 calls) cegterg : 632.03s CPU 635.67s WALL ( 727 calls) Called by sum_band: Called by *egterg: h_psi : 341.05s CPU 347.79s WALL ( 12556 calls) s_psi : 19.66s CPU 20.11s WALL ( 12556 calls) g_psi : 0.97s CPU 1.03s WALL ( 11523 calls) cdiaghg : 176.82s CPU 174.33s WALL ( 11829 calls) cegterg:over : 56.47s CPU 53.45s WALL ( 11523 calls) cegterg:upda : 16.08s CPU 19.91s WALL ( 11523 calls) cegterg:last : 12.10s CPU 12.78s WALL ( 1645 calls) Called by h_psi: h_psi:vloc : 296.57s CPU 302.34s WALL ( 12556 calls) h_psi:vnl : 44.06s CPU 44.38s WALL ( 12556 calls) add_vuspsi : 13.17s CPU 16.62s WALL ( 12556 calls) General routines calbec : 30.85s CPU 27.63s WALL ( 12556 calls) fft : 0.35s CPU 1.22s WALL ( 19 calls) ffts : 0.03s CPU 0.09s WALL ( 4 calls) fftw : 284.93s CPU 288.77s WALL ( 968196 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 1.28s WALL ( 612 calls) Parallel routines fft_scatter : 198.24s CPU 199.02s WALL ( 968219 calls) PWSCF : 12m13.77s CPU 14m36.35s WALL This run was terminated on: 17: 7:57 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=