Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:36:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al5Fe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 35 10 1204 811 130 Max 48 36 11 1206 826 133 Sum 1667 1293 379 43393 29543 4705 bravais-lattice index = 14 lattice parameter (alat) = 9.4378 a.u. unit-cell volume = 699.0919 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.437765 celldm(2)= 1.000000 celldm(3)= 0.844651 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.174957 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.174957 0.984576 0.000000 ) a(3) = ( 0.000000 0.000000 0.844651 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.177697 -0.000000 ) b(2) = ( 0.000000 1.015665 -0.000000 ) b(3) = ( 0.000000 0.000000 1.183921 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4223256 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4223256 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0101321 0.0120913 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0202642 0.0241825 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0303963 0.0362738 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0405283 0.0483650 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0506604 0.0604563 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0607925 0.0725475 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0709246 0.0846388 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0810567 0.0967300 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0911888 0.1088213 -0.0000000), wk = 0.0024876 k( 11) = ( 0.1013209 0.1209126 -0.0000000), wk = 0.0024876 k( 12) = ( 0.1114529 0.1330038 -0.0000000), wk = 0.0024876 k( 13) = ( 0.1215850 0.1450951 -0.0000000), wk = 0.0024876 k( 14) = ( 0.1317171 0.1571863 -0.0000000), wk = 0.0024876 k( 15) = ( 0.1418492 0.1692776 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1519813 0.1813688 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1621134 0.1934601 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1722455 0.2055513 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1823776 0.2176426 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1925096 0.2297339 -0.0000000), wk = 0.0024876 k( 21) = ( 0.2026417 0.2418251 -0.0000000), wk = 0.0024876 k( 22) = ( 0.2127738 0.2539164 -0.0000000), wk = 0.0024876 k( 23) = ( 0.2229059 0.2660076 -0.0000000), wk = 0.0024876 k( 24) = ( 0.2330380 0.2780989 -0.0000000), wk = 0.0024876 k( 25) = ( 0.2431701 0.2901901 -0.0000000), wk = 0.0024876 k( 26) = ( 0.2533022 0.3022814 -0.0000000), wk = 0.0024876 k( 27) = ( 0.2634342 0.3143726 -0.0000000), wk = 0.0024876 k( 28) = ( 0.2735663 0.3264639 -0.0000000), wk = 0.0024876 k( 29) = ( 0.2836984 0.3385552 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2938305 0.3506464 -0.0000000), wk = 0.0024876 k( 31) = ( 0.3039626 0.3627377 -0.0000000), wk = 0.0024876 k( 32) = ( 0.3140947 0.3748289 -0.0000000), wk = 0.0024876 k( 33) = ( 0.3242268 0.3869202 -0.0000000), wk = 0.0024876 k( 34) = ( 0.3343589 0.3990114 -0.0000000), wk = 0.0024876 k( 35) = ( 0.3444909 0.4111027 -0.0000000), wk = 0.0024876 k( 36) = ( 0.3546230 0.4231939 -0.0000000), wk = 0.0024876 k( 37) = ( 0.3647551 0.4352852 -0.0000000), wk = 0.0024876 k( 38) = ( 0.3748872 0.4473765 -0.0000000), wk = 0.0024876 k( 39) = ( 0.3850193 0.4594677 -0.0000000), wk = 0.0024876 k( 40) = ( 0.3951514 0.4715590 -0.0000000), wk = 0.0024876 k( 41) = ( 0.4052835 0.4836502 -0.0000000), wk = 0.0024876 k( 42) = ( 0.4154156 0.4957415 -0.0000000), wk = 0.0024876 k( 43) = ( 0.4255476 0.5078327 -0.0000000), wk = 0.0024876 k( 44) = ( 0.4255476 0.5078327 -0.0000000), wk = 0.0024876 k( 45) = ( 0.4097866 0.5078327 -0.0000000), wk = 0.0024876 k( 46) = ( 0.3940256 0.5078327 -0.0000000), wk = 0.0024876 k( 47) = ( 0.3782646 0.5078327 -0.0000000), wk = 0.0024876 k( 48) = ( 0.3625035 0.5078327 -0.0000000), wk = 0.0024876 k( 49) = ( 0.3467425 0.5078327 -0.0000000), wk = 0.0024876 k( 50) = ( 0.3309815 0.5078327 -0.0000000), wk = 0.0024876 k( 51) = ( 0.3152205 0.5078327 -0.0000000), wk = 0.0024876 k( 52) = ( 0.2994595 0.5078327 -0.0000000), wk = 0.0024876 k( 53) = ( 0.2836984 0.5078327 -0.0000000), wk = 0.0024876 k( 54) = ( 0.2679374 0.5078327 -0.0000000), wk = 0.0024876 k( 55) = ( 0.2521764 0.5078327 -0.0000000), wk = 0.0024876 k( 56) = ( 0.2364153 0.5078327 -0.0000000), wk = 0.0024876 k( 57) = ( 0.2206543 0.5078327 -0.0000000), wk = 0.0024876 k( 58) = ( 0.2048933 0.5078327 -0.0000000), wk = 0.0024876 k( 59) = ( 0.1891323 0.5078327 -0.0000000), wk = 0.0024876 k( 60) = ( 0.1733713 0.5078327 -0.0000000), wk = 0.0024876 k( 61) = ( 0.1576102 0.5078327 -0.0000000), wk = 0.0024876 k( 62) = ( 0.1418492 0.5078327 -0.0000000), wk = 0.0024876 k( 63) = ( 0.1260882 0.5078327 -0.0000000), wk = 0.0024876 k( 64) = ( 0.1103272 0.5078327 -0.0000000), wk = 0.0024876 k( 65) = ( 0.0945661 0.5078327 -0.0000000), wk = 0.0024876 k( 66) = ( 0.0788051 0.5078327 -0.0000000), wk = 0.0024876 k( 67) = ( 0.0630441 0.5078327 -0.0000000), wk = 0.0024876 k( 68) = ( 0.0472831 0.5078327 -0.0000000), wk = 0.0024876 k( 69) = ( 0.0315221 0.5078327 -0.0000000), wk = 0.0024876 k( 70) = ( 0.0157610 0.5078327 -0.0000000), wk = 0.0024876 k( 71) = ( 0.0000000 0.5078327 -0.0000000), wk = 0.0024876 k( 72) = ( 0.0000000 0.5078327 -0.0000000), wk = 0.0024876 k( 73) = ( 0.0000000 0.5078327 0.0155779), wk = 0.0024876 k( 74) = ( 0.0000000 0.5078327 0.0311558), wk = 0.0024876 k( 75) = ( 0.0000000 0.5078327 0.0467337), wk = 0.0024876 k( 76) = ( 0.0000000 0.5078327 0.0623116), wk = 0.0024876 k( 77) = ( 0.0000000 0.5078327 0.0778895), wk = 0.0024876 k( 78) = ( 0.0000000 0.5078327 0.0934674), wk = 0.0024876 k( 79) = ( 0.0000000 0.5078327 0.1090453), wk = 0.0024876 k( 80) = ( 0.0000000 0.5078327 0.1246232), wk = 0.0024876 k( 81) = ( 0.0000000 0.5078327 0.1402011), wk = 0.0024876 k( 82) = ( 0.0000000 0.5078327 0.1557790), wk = 0.0024876 k( 83) = ( 0.0000000 0.5078327 0.1713569), wk = 0.0024876 k( 84) = ( 0.0000000 0.5078327 0.1869348), wk = 0.0024876 k( 85) = ( 0.0000000 0.5078327 0.2025127), wk = 0.0024876 k( 86) = ( 0.0000000 0.5078327 0.2180906), wk = 0.0024876 k( 87) = ( 0.0000000 0.5078327 0.2336685), wk = 0.0024876 k( 88) = ( 0.0000000 0.5078327 0.2492465), wk = 0.0024876 k( 89) = ( 0.0000000 0.5078327 0.2648243), wk = 0.0024876 k( 90) = ( 0.0000000 0.5078327 0.2804023), wk = 0.0024876 k( 91) = ( 0.0000000 0.5078327 0.2959802), wk = 0.0024876 k( 92) = ( 0.0000000 0.5078327 0.3115581), wk = 0.0024876 k( 93) = ( 0.0000000 0.5078327 0.3271360), wk = 0.0024876 k( 94) = ( 0.0000000 0.5078327 0.3427139), wk = 0.0024876 k( 95) = ( 0.0000000 0.5078327 0.3582918), wk = 0.0024876 k( 96) = ( 0.0000000 0.5078327 0.3738697), wk = 0.0024876 k( 97) = ( 0.0000000 0.5078327 0.3894476), wk = 0.0024876 k( 98) = ( 0.0000000 0.5078327 0.4050255), wk = 0.0024876 k( 99) = ( 0.0000000 0.5078327 0.4206034), wk = 0.0024876 k( 100) = ( 0.0000000 0.5078327 0.4361813), wk = 0.0024876 k( 101) = ( 0.0000000 0.5078327 0.4517592), wk = 0.0024876 k( 102) = ( 0.0000000 0.5078327 0.4673371), wk = 0.0024876 k( 103) = ( 0.0000000 0.5078327 0.4829150), wk = 0.0024876 k( 104) = ( 0.0000000 0.5078327 0.4984929), wk = 0.0024876 k( 105) = ( 0.0000000 0.5078327 0.5140708), wk = 0.0024876 k( 106) = ( 0.0000000 0.5078327 0.5296487), wk = 0.0024876 k( 107) = ( 0.0000000 0.5078327 0.5452266), wk = 0.0024876 k( 108) = ( 0.0000000 0.5078327 0.5608045), wk = 0.0024876 k( 109) = ( 0.0000000 0.5078327 0.5763824), wk = 0.0024876 k( 110) = ( 0.0000000 0.5078327 0.5919603), wk = 0.0024876 k( 111) = ( 0.0000000 0.5078327 0.5919603), wk = 0.0024876 k( 112) = ( 0.0157610 0.5078327 0.5919603), wk = 0.0024876 k( 113) = ( 0.0315221 0.5078327 0.5919603), wk = 0.0024876 k( 114) = ( 0.0472831 0.5078327 0.5919603), wk = 0.0024876 k( 115) = ( 0.0630441 0.5078327 0.5919603), wk = 0.0024876 k( 116) = ( 0.0788051 0.5078327 0.5919603), wk = 0.0024876 k( 117) = ( 0.0945661 0.5078327 0.5919603), wk = 0.0024876 k( 118) = ( 0.1103272 0.5078327 0.5919603), wk = 0.0024876 k( 119) = ( 0.1260882 0.5078327 0.5919603), wk = 0.0024876 k( 120) = ( 0.1418492 0.5078327 0.5919603), wk = 0.0024876 k( 121) = ( 0.1576102 0.5078327 0.5919603), wk = 0.0024876 k( 122) = ( 0.1733713 0.5078327 0.5919603), wk = 0.0024876 k( 123) = ( 0.1891323 0.5078327 0.5919603), wk = 0.0024876 k( 124) = ( 0.2048933 0.5078327 0.5919603), wk = 0.0024876 k( 125) = ( 0.2206543 0.5078327 0.5919603), wk = 0.0024876 k( 126) = ( 0.2364153 0.5078327 0.5919603), wk = 0.0024876 k( 127) = ( 0.2521764 0.5078327 0.5919603), wk = 0.0024876 k( 128) = ( 0.2679374 0.5078327 0.5919603), wk = 0.0024876 k( 129) = ( 0.2836984 0.5078327 0.5919603), wk = 0.0024876 k( 130) = ( 0.2994595 0.5078327 0.5919603), wk = 0.0024876 k( 131) = ( 0.3152205 0.5078327 0.5919603), wk = 0.0024876 k( 132) = ( 0.3309815 0.5078327 0.5919603), wk = 0.0024876 k( 133) = ( 0.3467425 0.5078327 0.5919603), wk = 0.0024876 k( 134) = ( 0.3625035 0.5078327 0.5919603), wk = 0.0024876 k( 135) = ( 0.3782646 0.5078327 0.5919603), wk = 0.0024876 k( 136) = ( 0.3940256 0.5078327 0.5919603), wk = 0.0024876 k( 137) = ( 0.4097866 0.5078327 0.5919603), wk = 0.0024876 k( 138) = ( 0.4255476 0.5078327 0.5919603), wk = 0.0024876 k( 139) = ( 0.4255476 0.5078327 0.5919603), wk = 0.0024876 k( 140) = ( 0.4154156 0.4957415 0.5919603), wk = 0.0024876 k( 141) = ( 0.4052835 0.4836502 0.5919603), wk = 0.0024876 k( 142) = ( 0.3951514 0.4715590 0.5919603), wk = 0.0024876 k( 143) = ( 0.3850193 0.4594677 0.5919603), wk = 0.0024876 k( 144) = ( 0.3748872 0.4473765 0.5919603), wk = 0.0024876 k( 145) = ( 0.3647551 0.4352852 0.5919603), wk = 0.0024876 k( 146) = ( 0.3546230 0.4231939 0.5919603), wk = 0.0024876 k( 147) = ( 0.3444909 0.4111027 0.5919603), wk = 0.0024876 k( 148) = ( 0.3343589 0.3990114 0.5919603), wk = 0.0024876 k( 149) = ( 0.3242268 0.3869202 0.5919603), wk = 0.0024876 k( 150) = ( 0.3140947 0.3748289 0.5919603), wk = 0.0024876 k( 151) = ( 0.3039626 0.3627377 0.5919603), wk = 0.0024876 k( 152) = ( 0.2938305 0.3506464 0.5919603), wk = 0.0024876 k( 153) = ( 0.2836984 0.3385552 0.5919603), wk = 0.0024876 k( 154) = ( 0.2735663 0.3264639 0.5919603), wk = 0.0024876 k( 155) = ( 0.2634342 0.3143726 0.5919603), wk = 0.0024876 k( 156) = ( 0.2533022 0.3022814 0.5919603), wk = 0.0024876 k( 157) = ( 0.2431701 0.2901901 0.5919603), wk = 0.0024876 k( 158) = ( 0.2330380 0.2780989 0.5919603), wk = 0.0024876 k( 159) = ( 0.2229059 0.2660076 0.5919603), wk = 0.0024876 k( 160) = ( 0.2127738 0.2539164 0.5919603), wk = 0.0024876 k( 161) = ( 0.2026417 0.2418251 0.5919603), wk = 0.0024876 k( 162) = ( 0.1925096 0.2297339 0.5919603), wk = 0.0024876 k( 163) = ( 0.1823776 0.2176426 0.5919603), wk = 0.0024876 k( 164) = ( 0.1722455 0.2055513 0.5919603), wk = 0.0024876 k( 165) = ( 0.1621134 0.1934601 0.5919603), wk = 0.0024876 k( 166) = ( 0.1519813 0.1813688 0.5919603), wk = 0.0024876 k( 167) = ( 0.1418492 0.1692776 0.5919603), wk = 0.0024876 k( 168) = ( 0.1317171 0.1571863 0.5919603), wk = 0.0024876 k( 169) = ( 0.1215850 0.1450951 0.5919603), wk = 0.0024876 k( 170) = ( 0.1114529 0.1330038 0.5919603), wk = 0.0024876 k( 171) = ( 0.1013209 0.1209126 0.5919603), wk = 0.0024876 k( 172) = ( 0.0911888 0.1088213 0.5919603), wk = 0.0024876 k( 173) = ( 0.0810567 0.0967300 0.5919603), wk = 0.0024876 k( 174) = ( 0.0709246 0.0846388 0.5919603), wk = 0.0024876 k( 175) = ( 0.0607925 0.0725475 0.5919603), wk = 0.0024876 k( 176) = ( 0.0506604 0.0604563 0.5919603), wk = 0.0024876 k( 177) = ( 0.0405283 0.0483650 0.5919603), wk = 0.0024876 k( 178) = ( 0.0303963 0.0362738 0.5919603), wk = 0.0024876 k( 179) = ( 0.0202642 0.0241825 0.5919603), wk = 0.0024876 k( 180) = ( 0.0101321 0.0120913 0.5919603), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.5919603), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.5919603), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.5763824), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.5608045), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.5452266), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.5296487), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.5140708), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.4984929), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.4829150), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.4673371), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.4517592), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.4361813), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.4206034), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.4050255), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.3894476), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.3738697), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.3582918), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.3427139), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.3271360), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.3115581), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.2959802), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.2804023), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.2648243), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.2492465), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.2336685), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.2180906), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.2025127), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.1869348), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.1713569), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.1557790), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.1402011), wk = 0.0024876 k( 212) = ( 0.0000000 0.0000000 0.1246232), wk = 0.0024876 k( 213) = ( 0.0000000 0.0000000 0.1090453), wk = 0.0024876 k( 214) = ( 0.0000000 0.0000000 0.0934674), wk = 0.0024876 k( 215) = ( 0.0000000 0.0000000 0.0778895), wk = 0.0024876 k( 216) = ( 0.0000000 0.0000000 0.0623116), wk = 0.0024876 k( 217) = ( 0.0000000 0.0000000 0.0467337), wk = 0.0024876 k( 218) = ( 0.0000000 0.0000000 0.0311558), wk = 0.0024876 k( 219) = ( 0.0000000 0.0000000 0.0155779), wk = 0.0024876 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 222) = ( -0.0119048 0.0099758 0.0000000), wk = 0.0024876 k( 223) = ( -0.0238095 0.0199516 0.0000000), wk = 0.0024876 k( 224) = ( -0.0357143 0.0299274 0.0000000), wk = 0.0024876 k( 225) = ( -0.0476191 0.0399032 0.0000000), wk = 0.0024876 k( 226) = ( -0.0595238 0.0498791 0.0000000), wk = 0.0024876 k( 227) = ( -0.0714286 0.0598549 0.0000000), wk = 0.0024876 k( 228) = ( -0.0833333 0.0698307 0.0000000), wk = 0.0024876 k( 229) = ( -0.0952381 0.0798065 0.0000000), wk = 0.0024876 k( 230) = ( -0.1071429 0.0897823 0.0000000), wk = 0.0024876 k( 231) = ( -0.1190476 0.0997581 0.0000000), wk = 0.0024876 k( 232) = ( -0.1309524 0.1097339 0.0000000), wk = 0.0024876 k( 233) = ( -0.1428571 0.1197097 0.0000000), wk = 0.0024876 k( 234) = ( -0.1547619 0.1296855 0.0000000), wk = 0.0024876 k( 235) = ( -0.1666667 0.1396614 0.0000000), wk = 0.0024876 k( 236) = ( -0.1785714 0.1496372 0.0000000), wk = 0.0024876 k( 237) = ( -0.1904762 0.1596130 0.0000000), wk = 0.0024876 k( 238) = ( -0.2023810 0.1695888 0.0000000), wk = 0.0024876 k( 239) = ( -0.2142857 0.1795646 0.0000000), wk = 0.0024876 k( 240) = ( -0.2261905 0.1895404 0.0000000), wk = 0.0024876 k( 241) = ( -0.2380952 0.1995162 0.0000000), wk = 0.0024876 k( 242) = ( -0.2500000 0.2094920 0.0000000), wk = 0.0024876 k( 243) = ( -0.2619048 0.2194678 0.0000000), wk = 0.0024876 k( 244) = ( -0.2738095 0.2294436 0.0000000), wk = 0.0024876 k( 245) = ( -0.2857143 0.2394195 0.0000000), wk = 0.0024876 k( 246) = ( -0.2976190 0.2493953 0.0000000), wk = 0.0024876 k( 247) = ( -0.3095238 0.2593711 0.0000000), wk = 0.0024876 k( 248) = ( -0.3214286 0.2693469 0.0000000), wk = 0.0024876 k( 249) = ( -0.3333333 0.2793227 0.0000000), wk = 0.0024876 k( 250) = ( -0.3452381 0.2892985 0.0000000), wk = 0.0024876 k( 251) = ( -0.3571429 0.2992743 0.0000000), wk = 0.0024876 k( 252) = ( -0.3690476 0.3092501 0.0000000), wk = 0.0024876 k( 253) = ( -0.3809524 0.3192259 0.0000000), wk = 0.0024876 k( 254) = ( -0.3928571 0.3292018 0.0000000), wk = 0.0024876 k( 255) = ( -0.4047619 0.3391776 0.0000000), wk = 0.0024876 k( 256) = ( -0.4166667 0.3491534 0.0000000), wk = 0.0024876 k( 257) = ( -0.4285714 0.3591292 0.0000000), wk = 0.0024876 k( 258) = ( -0.4404762 0.3691050 0.0000000), wk = 0.0024876 k( 259) = ( -0.4523810 0.3790808 0.0000000), wk = 0.0024876 k( 260) = ( -0.4642857 0.3890566 0.0000000), wk = 0.0024876 k( 261) = ( -0.4761905 0.3990324 0.0000000), wk = 0.0024876 k( 262) = ( -0.4880952 0.4090082 0.0000000), wk = 0.0024876 k( 263) = ( -0.5000000 0.4189841 0.0000000), wk = 0.0024876 k( 264) = ( -0.5000000 0.4189841 0.0000000), wk = 0.0024876 k( 265) = ( -0.4906934 0.4300901 -0.0000000), wk = 0.0024876 k( 266) = ( -0.4813869 0.4411962 -0.0000000), wk = 0.0024876 k( 267) = ( -0.4720804 0.4523023 -0.0000000), wk = 0.0024876 k( 268) = ( -0.4627738 0.4634084 -0.0000000), wk = 0.0024876 k( 269) = ( -0.4534673 0.4745145 -0.0000000), wk = 0.0024876 k( 270) = ( -0.4441607 0.4856206 -0.0000000), wk = 0.0024876 k( 271) = ( -0.4348542 0.4967267 -0.0000000), wk = 0.0024876 k( 272) = ( -0.4255476 0.5078327 -0.0000000), wk = 0.0024876 k( 273) = ( -0.4255476 0.5078327 -0.0000000), wk = 0.0024876 k( 274) = ( -0.4255476 0.5078327 0.0155779), wk = 0.0024876 k( 275) = ( -0.4255476 0.5078327 0.0311558), wk = 0.0024876 k( 276) = ( -0.4255476 0.5078327 0.0467337), wk = 0.0024876 k( 277) = ( -0.4255476 0.5078327 0.0623116), wk = 0.0024876 k( 278) = ( -0.4255476 0.5078327 0.0778895), wk = 0.0024876 k( 279) = ( -0.4255476 0.5078327 0.0934674), wk = 0.0024876 k( 280) = ( -0.4255476 0.5078327 0.1090453), wk = 0.0024876 k( 281) = ( -0.4255476 0.5078327 0.1246232), wk = 0.0024876 k( 282) = ( -0.4255476 0.5078327 0.1402011), wk = 0.0024876 k( 283) = ( -0.4255476 0.5078327 0.1557790), wk = 0.0024876 k( 284) = ( -0.4255476 0.5078327 0.1713569), wk = 0.0024876 k( 285) = ( -0.4255476 0.5078327 0.1869348), wk = 0.0024876 k( 286) = ( -0.4255476 0.5078327 0.2025127), wk = 0.0024876 k( 287) = ( -0.4255476 0.5078327 0.2180906), wk = 0.0024876 k( 288) = ( -0.4255476 0.5078327 0.2336685), wk = 0.0024876 k( 289) = ( -0.4255476 0.5078327 0.2492465), wk = 0.0024876 k( 290) = ( -0.4255476 0.5078327 0.2648243), wk = 0.0024876 k( 291) = ( -0.4255476 0.5078327 0.2804023), wk = 0.0024876 k( 292) = ( -0.4255476 0.5078327 0.2959802), wk = 0.0024876 k( 293) = ( -0.4255476 0.5078327 0.3115581), wk = 0.0024876 k( 294) = ( -0.4255476 0.5078327 0.3271360), wk = 0.0024876 k( 295) = ( -0.4255476 0.5078327 0.3427139), wk = 0.0024876 k( 296) = ( -0.4255476 0.5078327 0.3582918), wk = 0.0024876 k( 297) = ( -0.4255476 0.5078327 0.3738697), wk = 0.0024876 k( 298) = ( -0.4255476 0.5078327 0.3894476), wk = 0.0024876 k( 299) = ( -0.4255476 0.5078327 0.4050255), wk = 0.0024876 k( 300) = ( -0.4255476 0.5078327 0.4206034), wk = 0.0024876 k( 301) = ( -0.4255476 0.5078327 0.4361813), wk = 0.0024876 k( 302) = ( -0.4255476 0.5078327 0.4517592), wk = 0.0024876 k( 303) = ( -0.4255476 0.5078327 0.4673371), wk = 0.0024876 k( 304) = ( -0.4255476 0.5078327 0.4829150), wk = 0.0024876 k( 305) = ( -0.4255476 0.5078327 0.4984929), wk = 0.0024876 k( 306) = ( -0.4255476 0.5078327 0.5140708), wk = 0.0024876 k( 307) = ( -0.4255476 0.5078327 0.5296487), wk = 0.0024876 k( 308) = ( -0.4255476 0.5078327 0.5452266), wk = 0.0024876 k( 309) = ( -0.4255476 0.5078327 0.5608045), wk = 0.0024876 k( 310) = ( -0.4255476 0.5078327 0.5763824), wk = 0.0024876 k( 311) = ( -0.4255476 0.5078327 0.5919603), wk = 0.0024876 k( 312) = ( -0.4255476 0.5078327 0.5919603), wk = 0.0024876 k( 313) = ( -0.4348542 0.4967267 0.5919603), wk = 0.0024876 k( 314) = ( -0.4441607 0.4856206 0.5919603), wk = 0.0024876 k( 315) = ( -0.4534673 0.4745145 0.5919603), wk = 0.0024876 k( 316) = ( -0.4627738 0.4634084 0.5919603), wk = 0.0024876 k( 317) = ( -0.4720804 0.4523023 0.5919603), wk = 0.0024876 k( 318) = ( -0.4813869 0.4411962 0.5919603), wk = 0.0024876 k( 319) = ( -0.4906934 0.4300901 0.5919603), wk = 0.0024876 k( 320) = ( -0.5000000 0.4189841 0.5919603), wk = 0.0024876 k( 321) = ( -0.5000000 0.4189841 0.5919603), wk = 0.0024876 k( 322) = ( -0.5000000 0.4189841 0.5763824), wk = 0.0024876 k( 323) = ( -0.5000000 0.4189841 0.5608045), wk = 0.0024876 k( 324) = ( -0.5000000 0.4189841 0.5452266), wk = 0.0024876 k( 325) = ( -0.5000000 0.4189841 0.5296487), wk = 0.0024876 k( 326) = ( -0.5000000 0.4189841 0.5140708), wk = 0.0024876 k( 327) = ( -0.5000000 0.4189841 0.4984929), wk = 0.0024876 k( 328) = ( -0.5000000 0.4189841 0.4829150), wk = 0.0024876 k( 329) = ( -0.5000000 0.4189841 0.4673371), wk = 0.0024876 k( 330) = ( -0.5000000 0.4189841 0.4517592), wk = 0.0024876 k( 331) = ( -0.5000000 0.4189841 0.4361813), wk = 0.0024876 k( 332) = ( -0.5000000 0.4189841 0.4206034), wk = 0.0024876 k( 333) = ( -0.5000000 0.4189841 0.4050255), wk = 0.0024876 k( 334) = ( -0.5000000 0.4189841 0.3894476), wk = 0.0024876 k( 335) = ( -0.5000000 0.4189841 0.3738697), wk = 0.0024876 k( 336) = ( -0.5000000 0.4189841 0.3582918), wk = 0.0024876 k( 337) = ( -0.5000000 0.4189841 0.3427139), wk = 0.0024876 k( 338) = ( -0.5000000 0.4189841 0.3271360), wk = 0.0024876 k( 339) = ( -0.5000000 0.4189841 0.3115581), wk = 0.0024876 k( 340) = ( -0.5000000 0.4189841 0.2959802), wk = 0.0024876 k( 341) = ( -0.5000000 0.4189841 0.2804023), wk = 0.0024876 k( 342) = ( -0.5000000 0.4189841 0.2648243), wk = 0.0024876 k( 343) = ( -0.5000000 0.4189841 0.2492465), wk = 0.0024876 k( 344) = ( -0.5000000 0.4189841 0.2336685), wk = 0.0024876 k( 345) = ( -0.5000000 0.4189841 0.2180906), wk = 0.0024876 k( 346) = ( -0.5000000 0.4189841 0.2025127), wk = 0.0024876 k( 347) = ( -0.5000000 0.4189841 0.1869348), wk = 0.0024876 k( 348) = ( -0.5000000 0.4189841 0.1713569), wk = 0.0024876 k( 349) = ( -0.5000000 0.4189841 0.1557790), wk = 0.0024876 k( 350) = ( -0.5000000 0.4189841 0.1402011), wk = 0.0024876 k( 351) = ( -0.5000000 0.4189841 0.1246232), wk = 0.0024876 k( 352) = ( -0.5000000 0.4189841 0.1090453), wk = 0.0024876 k( 353) = ( -0.5000000 0.4189841 0.0934674), wk = 0.0024876 k( 354) = ( -0.5000000 0.4189841 0.0778895), wk = 0.0024876 k( 355) = ( -0.5000000 0.4189841 0.0623116), wk = 0.0024876 k( 356) = ( -0.5000000 0.4189841 0.0467337), wk = 0.0024876 k( 357) = ( -0.5000000 0.4189841 0.0311558), wk = 0.0024876 k( 358) = ( -0.5000000 0.4189841 0.0155779), wk = 0.0024876 k( 359) = ( -0.5000000 0.4189841 0.0000000), wk = 0.0024876 k( 360) = ( 0.0000000 0.0000000 0.5919603), wk = 0.0024876 k( 361) = ( -0.0119048 0.0099758 0.5919603), wk = 0.0024876 k( 362) = ( -0.0238095 0.0199516 0.5919603), wk = 0.0024876 k( 363) = ( -0.0357143 0.0299274 0.5919603), wk = 0.0024876 k( 364) = ( -0.0476191 0.0399032 0.5919603), wk = 0.0024876 k( 365) = ( -0.0595238 0.0498791 0.5919603), wk = 0.0024876 k( 366) = ( -0.0714286 0.0598549 0.5919603), wk = 0.0024876 k( 367) = ( -0.0833333 0.0698307 0.5919603), wk = 0.0024876 k( 368) = ( -0.0952381 0.0798065 0.5919603), wk = 0.0024876 k( 369) = ( -0.1071429 0.0897823 0.5919603), wk = 0.0024876 k( 370) = ( -0.1190476 0.0997581 0.5919603), wk = 0.0024876 k( 371) = ( -0.1309524 0.1097339 0.5919603), wk = 0.0024876 k( 372) = ( -0.1428571 0.1197097 0.5919603), wk = 0.0024876 k( 373) = ( -0.1547619 0.1296855 0.5919603), wk = 0.0024876 k( 374) = ( -0.1666667 0.1396614 0.5919603), wk = 0.0024876 k( 375) = ( -0.1785714 0.1496372 0.5919603), wk = 0.0024876 k( 376) = ( -0.1904762 0.1596130 0.5919603), wk = 0.0024876 k( 377) = ( -0.2023810 0.1695888 0.5919603), wk = 0.0024876 k( 378) = ( -0.2142857 0.1795646 0.5919603), wk = 0.0024876 k( 379) = ( -0.2261905 0.1895404 0.5919603), wk = 0.0024876 k( 380) = ( -0.2380952 0.1995162 0.5919603), wk = 0.0024876 k( 381) = ( -0.2500000 0.2094920 0.5919603), wk = 0.0024876 k( 382) = ( -0.2619048 0.2194678 0.5919603), wk = 0.0024876 k( 383) = ( -0.2738095 0.2294436 0.5919603), wk = 0.0024876 k( 384) = ( -0.2857143 0.2394195 0.5919603), wk = 0.0024876 k( 385) = ( -0.2976190 0.2493953 0.5919603), wk = 0.0024876 k( 386) = ( -0.3095238 0.2593711 0.5919603), wk = 0.0024876 k( 387) = ( -0.3214286 0.2693469 0.5919603), wk = 0.0024876 k( 388) = ( -0.3333333 0.2793227 0.5919603), wk = 0.0024876 k( 389) = ( -0.3452381 0.2892985 0.5919603), wk = 0.0024876 k( 390) = ( -0.3571429 0.2992743 0.5919603), wk = 0.0024876 k( 391) = ( -0.3690476 0.3092501 0.5919603), wk = 0.0024876 k( 392) = ( -0.3809524 0.3192259 0.5919603), wk = 0.0024876 k( 393) = ( -0.3928571 0.3292018 0.5919603), wk = 0.0024876 k( 394) = ( -0.4047619 0.3391776 0.5919603), wk = 0.0024876 k( 395) = ( -0.4166667 0.3491534 0.5919603), wk = 0.0024876 k( 396) = ( -0.4285714 0.3591292 0.5919603), wk = 0.0024876 k( 397) = ( -0.4404762 0.3691050 0.5919603), wk = 0.0024876 k( 398) = ( -0.4523810 0.3790808 0.5919603), wk = 0.0024876 k( 399) = ( -0.4642857 0.3890566 0.5919603), wk = 0.0024876 k( 400) = ( -0.4761905 0.3990324 0.5919603), wk = 0.0024876 k( 401) = ( -0.4880952 0.4090082 0.5919603), wk = 0.0024876 k( 402) = ( -0.5000000 0.4189841 0.5919603), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0101321 0.0101321 0.0000000), wk = 0.0024876 k( 3) = ( 0.0202642 0.0202642 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0303963 0.0303963 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0405283 0.0405284 0.0000000), wk = 0.0024876 k( 6) = ( 0.0506604 0.0506604 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0607925 0.0607925 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0709246 0.0709246 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0810567 0.0810567 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0911888 0.0911888 -0.0000000), wk = 0.0024876 k( 11) = ( 0.1013209 0.1013209 -0.0000000), wk = 0.0024876 k( 12) = ( 0.1114529 0.1114530 -0.0000000), wk = 0.0024876 k( 13) = ( 0.1215850 0.1215850 -0.0000000), wk = 0.0024876 k( 14) = ( 0.1317171 0.1317171 -0.0000000), wk = 0.0024876 k( 15) = ( 0.1418492 0.1418492 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1519813 0.1519813 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1621134 0.1621134 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1722455 0.1722455 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1823776 0.1823776 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1925096 0.1925096 -0.0000000), wk = 0.0024876 k( 21) = ( 0.2026417 0.2026417 -0.0000000), wk = 0.0024876 k( 22) = ( 0.2127738 0.2127738 -0.0000000), wk = 0.0024876 k( 23) = ( 0.2229059 0.2229059 -0.0000000), wk = 0.0024876 k( 24) = ( 0.2330380 0.2330380 0.0000000), wk = 0.0024876 k( 25) = ( 0.2431701 0.2431701 -0.0000000), wk = 0.0024876 k( 26) = ( 0.2533022 0.2533022 -0.0000000), wk = 0.0024876 k( 27) = ( 0.2634342 0.2634343 0.0000000), wk = 0.0024876 k( 28) = ( 0.2735663 0.2735663 -0.0000000), wk = 0.0024876 k( 29) = ( 0.2836984 0.2836984 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2938305 0.2938305 -0.0000000), wk = 0.0024876 k( 31) = ( 0.3039626 0.3039626 -0.0000000), wk = 0.0024876 k( 32) = ( 0.3140947 0.3140947 -0.0000000), wk = 0.0024876 k( 33) = ( 0.3242268 0.3242268 0.0000000), wk = 0.0024876 k( 34) = ( 0.3343589 0.3343589 0.0000000), wk = 0.0024876 k( 35) = ( 0.3444909 0.3444909 -0.0000000), wk = 0.0024876 k( 36) = ( 0.3546230 0.3546230 -0.0000000), wk = 0.0024876 k( 37) = ( 0.3647551 0.3647551 -0.0000000), wk = 0.0024876 k( 38) = ( 0.3748872 0.3748872 -0.0000000), wk = 0.0024876 k( 39) = ( 0.3850193 0.3850193 -0.0000000), wk = 0.0024876 k( 40) = ( 0.3951514 0.3951514 -0.0000000), wk = 0.0024876 k( 41) = ( 0.4052835 0.4052835 -0.0000000), wk = 0.0024876 k( 42) = ( 0.4154156 0.4154156 -0.0000000), wk = 0.0024876 k( 43) = ( 0.4255476 0.4255476 -0.0000000), wk = 0.0024876 k( 44) = ( 0.4255476 0.4255476 -0.0000000), wk = 0.0024876 k( 45) = ( 0.4097866 0.4283051 -0.0000000), wk = 0.0024876 k( 46) = ( 0.3940256 0.4310626 -0.0000000), wk = 0.0024876 k( 47) = ( 0.3782646 0.4338201 -0.0000000), wk = 0.0024876 k( 48) = ( 0.3625035 0.4365776 -0.0000000), wk = 0.0024876 k( 49) = ( 0.3467425 0.4393351 0.0000000), wk = 0.0024876 k( 50) = ( 0.3309815 0.4420926 0.0000000), wk = 0.0024876 k( 51) = ( 0.3152205 0.4448501 0.0000000), wk = 0.0024876 k( 52) = ( 0.2994595 0.4476076 0.0000000), wk = 0.0024876 k( 53) = ( 0.2836984 0.4503651 -0.0000000), wk = 0.0024876 k( 54) = ( 0.2679374 0.4531226 0.0000000), wk = 0.0024876 k( 55) = ( 0.2521764 0.4558801 0.0000000), wk = 0.0024876 k( 56) = ( 0.2364153 0.4586376 0.0000000), wk = 0.0024876 k( 57) = ( 0.2206543 0.4613951 0.0000000), wk = 0.0024876 k( 58) = ( 0.2048933 0.4641526 -0.0000000), wk = 0.0024876 k( 59) = ( 0.1891323 0.4669101 0.0000000), wk = 0.0024876 k( 60) = ( 0.1733713 0.4696676 -0.0000000), wk = 0.0024876 k( 61) = ( 0.1576102 0.4724251 -0.0000000), wk = 0.0024876 k( 62) = ( 0.1418492 0.4751825 0.0000000), wk = 0.0024876 k( 63) = ( 0.1260882 0.4779400 0.0000000), wk = 0.0024876 k( 64) = ( 0.1103272 0.4806975 0.0000000), wk = 0.0024876 k( 65) = ( 0.0945661 0.4834550 0.0000000), wk = 0.0024876 k( 66) = ( 0.0788051 0.4862125 0.0000000), wk = 0.0024876 k( 67) = ( 0.0630441 0.4889700 -0.0000000), wk = 0.0024876 k( 68) = ( 0.0472831 0.4917275 -0.0000000), wk = 0.0024876 k( 69) = ( 0.0315221 0.4944850 -0.0000000), wk = 0.0024876 k( 70) = ( 0.0157610 0.4972425 0.0000000), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.1184211), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0024876 k( 101) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0024876 k( 102) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0024876 k( 103) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0024876 k( 104) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0024876 k( 105) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0024876 k( 106) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0024876 k( 107) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0024876 k( 108) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0024876 k( 109) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0024876 k( 110) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 111) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 112) = ( 0.0157610 0.4972425 0.5000000), wk = 0.0024876 k( 113) = ( 0.0315221 0.4944850 0.5000000), wk = 0.0024876 k( 114) = ( 0.0472831 0.4917275 0.5000000), wk = 0.0024876 k( 115) = ( 0.0630441 0.4889700 0.5000000), wk = 0.0024876 k( 116) = ( 0.0788051 0.4862125 0.5000000), wk = 0.0024876 k( 117) = ( 0.0945661 0.4834550 0.5000000), wk = 0.0024876 k( 118) = ( 0.1103272 0.4806975 0.5000000), wk = 0.0024876 k( 119) = ( 0.1260882 0.4779400 0.5000000), wk = 0.0024876 k( 120) = ( 0.1418492 0.4751825 0.5000000), wk = 0.0024876 k( 121) = ( 0.1576102 0.4724251 0.5000000), wk = 0.0024876 k( 122) = ( 0.1733713 0.4696676 0.5000000), wk = 0.0024876 k( 123) = ( 0.1891323 0.4669101 0.5000000), wk = 0.0024876 k( 124) = ( 0.2048933 0.4641526 0.5000000), wk = 0.0024876 k( 125) = ( 0.2206543 0.4613951 0.5000000), wk = 0.0024876 k( 126) = ( 0.2364153 0.4586376 0.5000000), wk = 0.0024876 k( 127) = ( 0.2521764 0.4558801 0.5000000), wk = 0.0024876 k( 128) = ( 0.2679374 0.4531226 0.5000000), wk = 0.0024876 k( 129) = ( 0.2836984 0.4503651 0.5000000), wk = 0.0024876 k( 130) = ( 0.2994595 0.4476076 0.5000000), wk = 0.0024876 k( 131) = ( 0.3152205 0.4448501 0.5000000), wk = 0.0024876 k( 132) = ( 0.3309815 0.4420926 0.5000000), wk = 0.0024876 k( 133) = ( 0.3467425 0.4393351 0.5000000), wk = 0.0024876 k( 134) = ( 0.3625035 0.4365776 0.5000000), wk = 0.0024876 k( 135) = ( 0.3782646 0.4338201 0.5000000), wk = 0.0024876 k( 136) = ( 0.3940256 0.4310626 0.5000000), wk = 0.0024876 k( 137) = ( 0.4097866 0.4283051 0.5000000), wk = 0.0024876 k( 138) = ( 0.4255476 0.4255476 0.5000000), wk = 0.0024876 k( 139) = ( 0.4255476 0.4255476 0.5000000), wk = 0.0024876 k( 140) = ( 0.4154156 0.4154156 0.5000000), wk = 0.0024876 k( 141) = ( 0.4052835 0.4052835 0.5000000), wk = 0.0024876 k( 142) = ( 0.3951514 0.3951514 0.5000000), wk = 0.0024876 k( 143) = ( 0.3850193 0.3850193 0.5000000), wk = 0.0024876 k( 144) = ( 0.3748872 0.3748872 0.5000000), wk = 0.0024876 k( 145) = ( 0.3647551 0.3647551 0.5000000), wk = 0.0024876 k( 146) = ( 0.3546230 0.3546230 0.5000000), wk = 0.0024876 k( 147) = ( 0.3444909 0.3444909 0.5000000), wk = 0.0024876 k( 148) = ( 0.3343589 0.3343589 0.5000000), wk = 0.0024876 k( 149) = ( 0.3242268 0.3242268 0.5000000), wk = 0.0024876 k( 150) = ( 0.3140947 0.3140947 0.5000000), wk = 0.0024876 k( 151) = ( 0.3039626 0.3039626 0.5000000), wk = 0.0024876 k( 152) = ( 0.2938305 0.2938305 0.5000000), wk = 0.0024876 k( 153) = ( 0.2836984 0.2836984 0.5000000), wk = 0.0024876 k( 154) = ( 0.2735663 0.2735663 0.5000000), wk = 0.0024876 k( 155) = ( 0.2634342 0.2634343 0.5000000), wk = 0.0024876 k( 156) = ( 0.2533022 0.2533022 0.5000000), wk = 0.0024876 k( 157) = ( 0.2431701 0.2431701 0.5000000), wk = 0.0024876 k( 158) = ( 0.2330380 0.2330380 0.5000000), wk = 0.0024876 k( 159) = ( 0.2229059 0.2229059 0.5000000), wk = 0.0024876 k( 160) = ( 0.2127738 0.2127738 0.5000000), wk = 0.0024876 k( 161) = ( 0.2026417 0.2026417 0.5000000), wk = 0.0024876 k( 162) = ( 0.1925096 0.1925096 0.5000000), wk = 0.0024876 k( 163) = ( 0.1823776 0.1823776 0.5000000), wk = 0.0024876 k( 164) = ( 0.1722455 0.1722455 0.5000000), wk = 0.0024876 k( 165) = ( 0.1621134 0.1621134 0.5000000), wk = 0.0024876 k( 166) = ( 0.1519813 0.1519813 0.5000000), wk = 0.0024876 k( 167) = ( 0.1418492 0.1418492 0.5000000), wk = 0.0024876 k( 168) = ( 0.1317171 0.1317171 0.5000000), wk = 0.0024876 k( 169) = ( 0.1215850 0.1215850 0.5000000), wk = 0.0024876 k( 170) = ( 0.1114529 0.1114530 0.5000000), wk = 0.0024876 k( 171) = ( 0.1013209 0.1013209 0.5000000), wk = 0.0024876 k( 172) = ( 0.0911888 0.0911888 0.5000000), wk = 0.0024876 k( 173) = ( 0.0810567 0.0810567 0.5000000), wk = 0.0024876 k( 174) = ( 0.0709246 0.0709246 0.5000000), wk = 0.0024876 k( 175) = ( 0.0607925 0.0607925 0.5000000), wk = 0.0024876 k( 176) = ( 0.0506604 0.0506604 0.5000000), wk = 0.0024876 k( 177) = ( 0.0405283 0.0405284 0.5000000), wk = 0.0024876 k( 178) = ( 0.0303963 0.0303963 0.5000000), wk = 0.0024876 k( 179) = ( 0.0202642 0.0202642 0.5000000), wk = 0.0024876 k( 180) = ( 0.0101321 0.0101321 0.5000000), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0024876 k( 212) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0024876 k( 213) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0024876 k( 214) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0024876 k( 215) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0024876 k( 216) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0024876 k( 217) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0024876 k( 218) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0024876 k( 219) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0024876 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 222) = ( -0.0119048 0.0119048 0.0000000), wk = 0.0024876 k( 223) = ( -0.0238095 0.0238095 0.0000000), wk = 0.0024876 k( 224) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0024876 k( 225) = ( -0.0476191 0.0476191 0.0000000), wk = 0.0024876 k( 226) = ( -0.0595238 0.0595238 0.0000000), wk = 0.0024876 k( 227) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0024876 k( 228) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0024876 k( 229) = ( -0.0952381 0.0952381 0.0000000), wk = 0.0024876 k( 230) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0024876 k( 231) = ( -0.1190476 0.1190476 0.0000000), wk = 0.0024876 k( 232) = ( -0.1309524 0.1309524 0.0000000), wk = 0.0024876 k( 233) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0024876 k( 234) = ( -0.1547619 0.1547619 0.0000000), wk = 0.0024876 k( 235) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024876 k( 236) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0024876 k( 237) = ( -0.1904762 0.1904762 0.0000000), wk = 0.0024876 k( 238) = ( -0.2023810 0.2023810 0.0000000), wk = 0.0024876 k( 239) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0024876 k( 240) = ( -0.2261905 0.2261905 0.0000000), wk = 0.0024876 k( 241) = ( -0.2380952 0.2380952 0.0000000), wk = 0.0024876 k( 242) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024876 k( 243) = ( -0.2619048 0.2619048 0.0000000), wk = 0.0024876 k( 244) = ( -0.2738095 0.2738095 0.0000000), wk = 0.0024876 k( 245) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0024876 k( 246) = ( -0.2976190 0.2976191 0.0000000), wk = 0.0024876 k( 247) = ( -0.3095238 0.3095238 0.0000000), wk = 0.0024876 k( 248) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0024876 k( 249) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0024876 k( 250) = ( -0.3452381 0.3452381 0.0000000), wk = 0.0024876 k( 251) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024876 k( 252) = ( -0.3690476 0.3690476 0.0000000), wk = 0.0024876 k( 253) = ( -0.3809524 0.3809524 0.0000000), wk = 0.0024876 k( 254) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0024876 k( 255) = ( -0.4047619 0.4047619 0.0000000), wk = 0.0024876 k( 256) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0024876 k( 257) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024876 k( 258) = ( -0.4404762 0.4404762 0.0000000), wk = 0.0024876 k( 259) = ( -0.4523810 0.4523810 0.0000000), wk = 0.0024876 k( 260) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0024876 k( 261) = ( -0.4761905 0.4761905 0.0000000), wk = 0.0024876 k( 262) = ( -0.4880952 0.4880952 0.0000000), wk = 0.0024876 k( 263) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 264) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 265) = ( -0.4906934 0.5093066 0.0000000), wk = 0.0024876 k( 266) = ( -0.4813869 0.5186131 0.0000000), wk = 0.0024876 k( 267) = ( -0.4720804 0.5279196 0.0000000), wk = 0.0024876 k( 268) = ( -0.4627738 0.5372262 0.0000000), wk = 0.0024876 k( 269) = ( -0.4534673 0.5465327 0.0000000), wk = 0.0024876 k( 270) = ( -0.4441607 0.5558393 0.0000000), wk = 0.0024876 k( 271) = ( -0.4348542 0.5651458 0.0000000), wk = 0.0024876 k( 272) = ( -0.4255476 0.5744524 0.0000000), wk = 0.0024876 k( 273) = ( -0.4255476 0.5744524 0.0000000), wk = 0.0024876 k( 274) = ( -0.4255476 0.5744524 0.0131579), wk = 0.0024876 k( 275) = ( -0.4255476 0.5744524 0.0263158), wk = 0.0024876 k( 276) = ( -0.4255476 0.5744524 0.0394737), wk = 0.0024876 k( 277) = ( -0.4255476 0.5744524 0.0526316), wk = 0.0024876 k( 278) = ( -0.4255476 0.5744524 0.0657895), wk = 0.0024876 k( 279) = ( -0.4255476 0.5744524 0.0789474), wk = 0.0024876 k( 280) = ( -0.4255476 0.5744524 0.0921053), wk = 0.0024876 k( 281) = ( -0.4255476 0.5744524 0.1052632), wk = 0.0024876 k( 282) = ( -0.4255476 0.5744524 0.1184210), wk = 0.0024876 k( 283) = ( -0.4255476 0.5744524 0.1315790), wk = 0.0024876 k( 284) = ( -0.4255476 0.5744524 0.1447368), wk = 0.0024876 k( 285) = ( -0.4255476 0.5744524 0.1578947), wk = 0.0024876 k( 286) = ( -0.4255476 0.5744524 0.1710526), wk = 0.0024876 k( 287) = ( -0.4255476 0.5744524 0.1842105), wk = 0.0024876 k( 288) = ( -0.4255476 0.5744524 0.1973684), wk = 0.0024876 k( 289) = ( -0.4255476 0.5744524 0.2105263), wk = 0.0024876 k( 290) = ( -0.4255476 0.5744524 0.2236842), wk = 0.0024876 k( 291) = ( -0.4255476 0.5744524 0.2368421), wk = 0.0024876 k( 292) = ( -0.4255476 0.5744524 0.2500000), wk = 0.0024876 k( 293) = ( -0.4255476 0.5744524 0.2631579), wk = 0.0024876 k( 294) = ( -0.4255476 0.5744524 0.2763158), wk = 0.0024876 k( 295) = ( -0.4255476 0.5744524 0.2894737), wk = 0.0024876 k( 296) = ( -0.4255476 0.5744524 0.3026316), wk = 0.0024876 k( 297) = ( -0.4255476 0.5744524 0.3157895), wk = 0.0024876 k( 298) = ( -0.4255476 0.5744524 0.3289474), wk = 0.0024876 k( 299) = ( -0.4255476 0.5744524 0.3421053), wk = 0.0024876 k( 300) = ( -0.4255476 0.5744524 0.3552632), wk = 0.0024876 k( 301) = ( -0.4255476 0.5744524 0.3684211), wk = 0.0024876 k( 302) = ( -0.4255476 0.5744524 0.3815789), wk = 0.0024876 k( 303) = ( -0.4255476 0.5744524 0.3947368), wk = 0.0024876 k( 304) = ( -0.4255476 0.5744524 0.4078947), wk = 0.0024876 k( 305) = ( -0.4255476 0.5744524 0.4210526), wk = 0.0024876 k( 306) = ( -0.4255476 0.5744524 0.4342105), wk = 0.0024876 k( 307) = ( -0.4255476 0.5744524 0.4473684), wk = 0.0024876 k( 308) = ( -0.4255476 0.5744524 0.4605263), wk = 0.0024876 k( 309) = ( -0.4255476 0.5744524 0.4736842), wk = 0.0024876 k( 310) = ( -0.4255476 0.5744524 0.4868421), wk = 0.0024876 k( 311) = ( -0.4255476 0.5744524 0.5000000), wk = 0.0024876 k( 312) = ( -0.4255476 0.5744524 0.5000000), wk = 0.0024876 k( 313) = ( -0.4348542 0.5651458 0.5000000), wk = 0.0024876 k( 314) = ( -0.4441607 0.5558393 0.5000000), wk = 0.0024876 k( 315) = ( -0.4534673 0.5465327 0.5000000), wk = 0.0024876 k( 316) = ( -0.4627738 0.5372262 0.5000000), wk = 0.0024876 k( 317) = ( -0.4720804 0.5279196 0.5000000), wk = 0.0024876 k( 318) = ( -0.4813869 0.5186131 0.5000000), wk = 0.0024876 k( 319) = ( -0.4906934 0.5093066 0.5000000), wk = 0.0024876 k( 320) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 321) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 322) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0024876 k( 323) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0024876 k( 324) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0024876 k( 325) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0024876 k( 326) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0024876 k( 327) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0024876 k( 328) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0024876 k( 329) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0024876 k( 330) = ( -0.5000000 0.5000000 0.3815789), wk = 0.0024876 k( 331) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0024876 k( 332) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0024876 k( 333) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0024876 k( 334) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0024876 k( 335) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.1184210), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 361) = ( -0.0119048 0.0119048 0.5000000), wk = 0.0024876 k( 362) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0024876 k( 363) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0024876 k( 364) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0024876 k( 365) = ( -0.0595238 0.0595238 0.5000000), wk = 0.0024876 k( 366) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024876 k( 367) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0024876 k( 368) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0024876 k( 369) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0024876 k( 370) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0024876 k( 371) = ( -0.1309524 0.1309524 0.5000000), wk = 0.0024876 k( 372) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024876 k( 373) = ( -0.1547619 0.1547619 0.5000000), wk = 0.0024876 k( 374) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024876 k( 375) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0024876 k( 376) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0024876 k( 377) = ( -0.2023810 0.2023810 0.5000000), wk = 0.0024876 k( 378) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024876 k( 379) = ( -0.2261905 0.2261905 0.5000000), wk = 0.0024876 k( 380) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0024876 k( 381) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024876 k( 382) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0024876 k( 383) = ( -0.2738095 0.2738095 0.5000000), wk = 0.0024876 k( 384) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024876 k( 385) = ( -0.2976190 0.2976191 0.5000000), wk = 0.0024876 k( 386) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0024876 k( 387) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0024876 k( 388) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024876 k( 389) = ( -0.3452381 0.3452381 0.5000000), wk = 0.0024876 k( 390) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024876 k( 391) = ( -0.3690476 0.3690476 0.5000000), wk = 0.0024876 k( 392) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0024876 k( 393) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0024876 k( 394) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0024876 k( 395) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0024876 k( 396) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024876 k( 397) = ( -0.4404762 0.4404762 0.5000000), wk = 0.0024876 k( 398) = ( -0.4523810 0.4523810 0.5000000), wk = 0.0024876 k( 399) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0024876 k( 400) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0024876 k( 401) = ( -0.4880952 0.4880952 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 43393 G-vectors FFT dimensions: ( 48, 48, 40) Smooth grid: 29543 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 220, 56) NL pseudopotentials 0.68 Mb ( 110, 408) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1206) G-vector shells 0.00 Mb ( 626) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 220, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.70 Mb ( 408, 2, 56) The potential is recalculated from file : ./Al5Fe.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 17.0 secs Computing kpt #: 16 total cpu time spent up to now is 18.0 secs Computing kpt #: 17 total cpu time spent up to now is 19.1 secs Computing kpt #: 18 total cpu time spent up to now is 20.2 secs Computing kpt #: 19 total cpu time spent up to now is 21.3 secs Computing kpt #: 20 total cpu time spent up to now is 22.3 secs Computing kpt #: 21 total cpu time spent up to now is 23.4 secs Computing kpt #: 22 total cpu time spent up to now is 24.4 secs Computing kpt #: 23 total cpu time spent up to now is 25.5 secs Computing kpt #: 24 total cpu time spent up to now is 26.5 secs Computing kpt #: 25 total cpu time spent up to now is 27.5 secs Computing kpt #: 26 total cpu time spent up to now is 28.6 secs Computing kpt #: 27 total cpu time spent up to now is 29.7 secs Computing kpt #: 28 total cpu time spent up to now is 30.9 secs Computing kpt #: 29 total cpu time spent up to now is 32.1 secs Computing kpt #: 30 total cpu time spent up to now is 33.2 secs Computing kpt #: 31 total cpu time spent up to now is 34.3 secs Computing kpt #: 32 total cpu time spent up to now is 35.4 secs Computing kpt #: 33 total cpu time spent up to now is 36.5 secs Computing kpt #: 34 total cpu time spent up to now is 37.6 secs Computing kpt #: 35 total cpu time spent up to now is 38.8 secs Computing kpt #: 36 total cpu time spent up to now is 40.2 secs Computing kpt #: 37 total cpu time spent up to now is 41.9 secs Computing kpt #: 38 total cpu time spent up to now is 43.1 secs Computing kpt #: 39 total cpu time spent up to now is 44.3 secs Computing kpt #: 40 total cpu time spent up to now is 45.4 secs Computing kpt #: 41 total cpu time spent up to now is 46.4 secs Computing kpt #: 42 total cpu time spent up to now is 47.5 secs Computing kpt #: 43 total cpu time spent up to now is 48.5 secs Computing kpt #: 44 total cpu time spent up to now is 49.6 secs Computing kpt #: 45 total cpu time spent up to now is 50.7 secs Computing kpt #: 46 total cpu time spent up to now is 51.7 secs Computing kpt #: 47 total cpu time spent up to now is 52.7 secs Computing kpt #: 48 total cpu time spent up to now is 53.8 secs Computing kpt #: 49 total cpu time spent up to now is 54.8 secs Computing kpt #: 50 total cpu time spent up to now is 55.7 secs Computing kpt #: 51 total cpu time spent up to now is 56.7 secs Computing kpt #: 52 total cpu time spent up to now is 57.7 secs Computing kpt #: 53 total cpu time spent up to now is 58.6 secs Computing kpt #: 54 total cpu time spent up to now is 59.6 secs Computing kpt #: 55 total cpu time spent up to now is 60.6 secs Computing kpt #: 56 total cpu time spent up to now is 61.6 secs Computing kpt #: 57 total cpu time spent up to now is 62.7 secs Computing kpt #: 58 total cpu time spent up to now is 63.6 secs Computing kpt #: 59 total cpu time spent up to now is 64.5 secs Computing kpt #: 60 total cpu time spent up to now is 65.4 secs Computing kpt #: 61 total cpu time spent up to now is 66.3 secs Computing kpt #: 62 total cpu time spent up to now is 67.2 secs Computing kpt #: 63 total cpu time spent up to now is 68.2 secs Computing kpt #: 64 total cpu time spent up to now is 69.2 secs Computing kpt #: 65 total cpu time spent up to now is 70.2 secs Computing kpt #: 66 total cpu time spent up to now is 71.2 secs Computing kpt #: 67 total cpu time spent up to now is 72.2 secs Computing kpt #: 68 total cpu time spent up to now is 73.3 secs Computing kpt #: 69 total cpu time spent up to now is 74.4 secs Computing kpt #: 70 total cpu time spent up to now is 75.5 secs Computing kpt #: 71 total cpu time spent up to now is 76.6 secs Computing kpt #: 72 total cpu time spent up to now is 77.8 secs Computing kpt #: 73 total cpu time spent up to now is 79.0 secs Computing kpt #: 74 total cpu time spent up to now is 80.2 secs Computing kpt #: 75 total cpu time spent up to now is 81.4 secs Computing kpt #: 76 total cpu time spent up to now is 82.5 secs Computing kpt #: 77 total cpu time spent up to now is 83.6 secs Computing kpt #: 78 total cpu time spent up to now is 84.7 secs Computing kpt #: 79 total cpu time spent up to now is 85.8 secs Computing kpt #: 80 total cpu time spent up to now is 87.1 secs Computing kpt #: 81 total cpu time spent up to now is 88.3 secs Computing kpt #: 82 total cpu time spent up to now is 89.5 secs Computing kpt #: 83 total cpu time spent up to now is 90.5 secs Computing kpt #: 84 total cpu time spent up to now is 91.5 secs Computing kpt #: 85 total cpu time spent up to now is 92.5 secs Computing kpt #: 86 total cpu time spent up to now is 93.6 secs Computing kpt #: 87 total cpu time spent up to now is 94.7 secs Computing kpt #: 88 total cpu time spent up to now is 96.2 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.0 secs Computing kpt #: 90 total cpu time spent up to now is 99.7 secs Computing kpt #: 91 total cpu time spent up to now is 100.8 secs Computing kpt #: 92 total cpu time spent up to now is 101.9 secs Computing kpt #: 93 total cpu time spent up to now is 102.9 secs Computing kpt #: 94 total cpu time spent up to now is 103.9 secs Computing kpt #: 95 total cpu time spent up to now is 104.8 secs Computing kpt #: 96 total cpu time spent up to now is 105.7 secs Computing kpt #: 97 total cpu time spent up to now is 106.6 secs Computing kpt #: 98 total cpu time spent up to now is 107.5 secs Computing kpt #: 99 total cpu time spent up to now is 108.4 secs Computing kpt #: 100 total cpu time spent up to now is 109.4 secs Computing kpt #: 101 total cpu time spent up to now is 110.3 secs Computing kpt #: 102 total cpu time spent up to now is 111.1 secs Computing kpt #: 103 total cpu time spent up to now is 112.3 secs Computing kpt #: 104 total cpu time spent up to now is 113.5 secs Computing kpt #: 105 total cpu time spent up to now is 114.6 secs Computing kpt #: 106 total cpu time spent up to now is 115.8 secs Computing kpt #: 107 total cpu time spent up to now is 116.9 secs Computing kpt #: 108 total cpu time spent up to now is 118.1 secs Computing kpt #: 109 total cpu time spent up to now is 119.2 secs Computing kpt #: 110 total cpu time spent up to now is 120.3 secs Computing kpt #: 111 total cpu time spent up to now is 121.4 secs Computing kpt #: 112 total cpu time spent up to now is 122.4 secs Computing kpt #: 113 total cpu time spent up to now is 123.5 secs Computing kpt #: 114 total cpu time spent up to now is 124.7 secs Computing kpt #: 115 total cpu time spent up to now is 125.8 secs Computing kpt #: 116 total cpu time spent up to now is 126.9 secs Computing kpt #: 117 total cpu time spent up to now is 128.0 secs Computing kpt #: 118 total cpu time spent up to now is 129.1 secs Computing kpt #: 119 total cpu time spent up to now is 130.2 secs Computing kpt #: 120 total cpu time spent up to now is 131.3 secs Computing kpt #: 121 total cpu time spent up to now is 132.4 secs Computing kpt #: 122 total cpu time spent up to now is 133.5 secs Computing kpt #: 123 total cpu time spent up to now is 134.6 secs Computing kpt #: 124 total cpu time spent up to now is 135.7 secs Computing kpt #: 125 total cpu time spent up to now is 136.8 secs Computing kpt #: 126 total cpu time spent up to now is 137.9 secs Computing kpt #: 127 total cpu time spent up to now is 139.0 secs Computing kpt #: 128 total cpu time spent up to now is 143.4 secs Computing kpt #: 129 total cpu time spent up to now is 144.5 secs Computing kpt #: 130 total cpu time spent up to now is 145.6 secs Computing kpt #: 131 total cpu time spent up to now is 146.7 secs Computing kpt #: 132 total cpu time spent up to now is 147.7 secs Computing kpt #: 133 total cpu time spent up to now is 148.8 secs Computing kpt #: 134 total cpu time spent up to now is 149.9 secs Computing kpt #: 135 total cpu time spent up to now is 150.9 secs Computing kpt #: 136 total cpu time spent up to now is 152.0 secs Computing kpt #: 137 total cpu time spent up to now is 153.1 secs Computing kpt #: 138 total cpu time spent up to now is 154.1 secs Computing kpt #: 139 total cpu time spent up to now is 155.2 secs Computing kpt #: 140 total cpu time spent up to now is 156.3 secs Computing kpt #: 141 total cpu time spent up to now is 157.3 secs Computing kpt #: 142 total cpu time spent up to now is 158.4 secs Computing kpt #: 143 total cpu time spent up to now is 159.4 secs Computing kpt #: 144 total cpu time spent up to now is 160.5 secs Computing kpt #: 145 total cpu time spent up to now is 161.6 secs Computing kpt #: 146 total cpu time spent up to now is 162.7 secs Computing kpt #: 147 total cpu time spent up to now is 163.8 secs Computing kpt #: 148 total cpu time spent up to now is 164.9 secs Computing kpt #: 149 total cpu time spent up to now is 166.0 secs Computing kpt #: 150 total cpu time spent up to now is 167.1 secs Computing kpt #: 151 total cpu time spent up to now is 168.2 secs Computing kpt #: 152 total cpu time spent up to now is 169.2 secs Computing kpt #: 153 total cpu time spent up to now is 170.3 secs Computing kpt #: 154 total cpu time spent up to now is 171.4 secs Computing kpt #: 155 total cpu time spent up to now is 172.5 secs Computing kpt #: 156 total cpu time spent up to now is 173.6 secs Computing kpt #: 157 total cpu time spent up to now is 174.7 secs Computing kpt #: 158 total cpu time spent up to now is 175.8 secs Computing kpt #: 159 total cpu time spent up to now is 176.9 secs Computing kpt #: 160 total cpu time spent up to now is 178.0 secs Computing kpt #: 161 total cpu time spent up to now is 179.1 secs Computing kpt #: 162 total cpu time spent up to now is 180.1 secs Computing kpt #: 163 total cpu time spent up to now is 181.1 secs Computing kpt #: 164 total cpu time spent up to now is 182.2 secs Computing kpt #: 165 total cpu time spent up to now is 183.2 secs Computing kpt #: 166 total cpu time spent up to now is 184.3 secs Computing kpt #: 167 total cpu time spent up to now is 185.5 secs Computing kpt #: 168 total cpu time spent up to now is 186.7 secs Computing kpt #: 169 total cpu time spent up to now is 187.9 secs Computing kpt #: 170 total cpu time spent up to now is 189.0 secs Computing kpt #: 171 total cpu time spent up to now is 190.1 secs Computing kpt #: 172 total cpu time spent up to now is 191.3 secs Computing kpt #: 173 total cpu time spent up to now is 192.4 secs Computing kpt #: 174 total cpu time spent up to now is 193.5 secs Computing kpt #: 175 total cpu time spent up to now is 194.7 secs Computing kpt #: 176 total cpu time spent up to now is 195.8 secs Computing kpt #: 177 total cpu time spent up to now is 196.9 secs Computing kpt #: 178 total cpu time spent up to now is 198.1 secs Computing kpt #: 179 total cpu time spent up to now is 199.4 secs Computing kpt #: 180 total cpu time spent up to now is 201.1 secs Computing kpt #: 181 total cpu time spent up to now is 202.5 secs Computing kpt #: 182 total cpu time spent up to now is 204.4 secs Computing kpt #: 183 total cpu time spent up to now is 205.6 secs Computing kpt #: 184 total cpu time spent up to now is 206.7 secs Computing kpt #: 185 total cpu time spent up to now is 207.7 secs Computing kpt #: 186 total cpu time spent up to now is 208.8 secs Computing kpt #: 187 total cpu time spent up to now is 210.0 secs Computing kpt #: 188 total cpu time spent up to now is 211.1 secs Computing kpt #: 189 total cpu time spent up to now is 212.3 secs Computing kpt #: 190 total cpu time spent up to now is 213.5 secs Computing kpt #: 191 total cpu time spent up to now is 214.8 secs Computing kpt #: 192 total cpu time spent up to now is 216.2 secs Computing kpt #: 193 total cpu time spent up to now is 217.5 secs Computing kpt #: 194 total cpu time spent up to now is 218.9 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.8 secs Computing kpt #: 196 total cpu time spent up to now is 222.1 secs Computing kpt #: 197 total cpu time spent up to now is 223.9 secs Computing kpt #: 198 total cpu time spent up to now is 224.9 secs Computing kpt #: 199 total cpu time spent up to now is 225.8 secs Computing kpt #: 200 total cpu time spent up to now is 226.7 secs Computing kpt #: 201 total cpu time spent up to now is 227.6 secs Computing kpt #: 202 total cpu time spent up to now is 228.5 secs Computing kpt #: 203 total cpu time spent up to now is 229.4 secs Computing kpt #: 204 total cpu time spent up to now is 230.3 secs Computing kpt #: 205 total cpu time spent up to now is 231.3 secs Computing kpt #: 206 total cpu time spent up to now is 232.3 secs Computing kpt #: 207 total cpu time spent up to now is 233.3 secs Computing kpt #: 208 total cpu time spent up to now is 234.5 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.4 secs Computing kpt #: 210 total cpu time spent up to now is 237.7 secs Computing kpt #: 211 total cpu time spent up to now is 238.8 secs Computing kpt #: 212 total cpu time spent up to now is 239.6 secs Computing kpt #: 213 total cpu time spent up to now is 240.3 secs Computing kpt #: 214 total cpu time spent up to now is 241.1 secs Computing kpt #: 215 total cpu time spent up to now is 242.0 secs Computing kpt #: 216 total cpu time spent up to now is 242.9 secs Computing kpt #: 217 total cpu time spent up to now is 243.8 secs Computing kpt #: 218 total cpu time spent up to now is 244.8 secs Computing kpt #: 219 total cpu time spent up to now is 245.7 secs Computing kpt #: 220 total cpu time spent up to now is 246.6 secs Computing kpt #: 221 total cpu time spent up to now is 247.5 secs Computing kpt #: 222 total cpu time spent up to now is 248.4 secs Computing kpt #: 223 total cpu time spent up to now is 249.3 secs Computing kpt #: 224 total cpu time spent up to now is 250.2 secs Computing kpt #: 225 total cpu time spent up to now is 251.2 secs Computing kpt #: 226 total cpu time spent up to now is 252.1 secs Computing kpt #: 227 total cpu time spent up to now is 253.1 secs Computing kpt #: 228 total cpu time spent up to now is 254.1 secs Computing kpt #: 229 total cpu time spent up to now is 255.0 secs Computing kpt #: 230 total cpu time spent up to now is 256.0 secs Computing kpt #: 231 total cpu time spent up to now is 257.0 secs Computing kpt #: 232 total cpu time spent up to now is 257.9 secs Computing kpt #: 233 total cpu time spent up to now is 258.8 secs Computing kpt #: 234 total cpu time spent up to now is 259.8 secs Computing kpt #: 235 total cpu time spent up to now is 260.7 secs Computing kpt #: 236 total cpu time spent up to now is 272.7 secs Computing kpt #: 237 total cpu time spent up to now is 273.5 secs Computing kpt #: 238 total cpu time spent up to now is 274.4 secs Computing kpt #: 239 total cpu time spent up to now is 275.3 secs Computing kpt #: 240 total cpu time spent up to now is 276.2 secs Computing kpt #: 241 total cpu time spent up to now is 277.1 secs Computing kpt #: 242 total cpu time spent up to now is 278.0 secs Computing kpt #: 243 total cpu time spent up to now is 278.9 secs Computing kpt #: 244 total cpu time spent up to now is 279.8 secs Computing kpt #: 245 total cpu time spent up to now is 280.7 secs Computing kpt #: 246 total cpu time spent up to now is 281.6 secs Computing kpt #: 247 total cpu time spent up to now is 282.4 secs Computing kpt #: 248 total cpu time spent up to now is 283.2 secs Computing kpt #: 249 total cpu time spent up to now is 284.0 secs Computing kpt #: 250 total cpu time spent up to now is 284.8 secs Computing kpt #: 251 total cpu time spent up to now is 285.7 secs Computing kpt #: 252 total cpu time spent up to now is 286.6 secs Computing kpt #: 253 total cpu time spent up to now is 311.0 secs Computing kpt #: 254 total cpu time spent up to now is 353.7 secs Computing kpt #: 255 total cpu time spent up to now is 354.5 secs Computing kpt #: 256 total cpu time spent up to now is 355.4 secs Computing kpt #: 257 total cpu time spent up to now is 356.3 secs Computing kpt #: 258 total cpu time spent up to now is 357.2 secs Computing kpt #: 259 total cpu time spent up to now is 358.1 secs Computing kpt #: 260 total cpu time spent up to now is 359.1 secs Computing kpt #: 261 total cpu time spent up to now is 360.1 secs Computing kpt #: 262 total cpu time spent up to now is 361.2 secs Computing kpt #: 263 total cpu time spent up to now is 362.5 secs Computing kpt #: 264 total cpu time spent up to now is 363.8 secs Computing kpt #: 265 total cpu time spent up to now is 365.1 secs Computing kpt #: 266 total cpu time spent up to now is 366.5 secs Computing kpt #: 267 total cpu time spent up to now is 367.7 secs Computing kpt #: 268 total cpu time spent up to now is 368.9 secs Computing kpt #: 269 total cpu time spent up to now is 370.0 secs Computing kpt #: 270 total cpu time spent up to now is 371.0 secs Computing kpt #: 271 total cpu time spent up to now is 372.0 secs Computing kpt #: 272 total cpu time spent up to now is 373.1 secs Computing kpt #: 273 total cpu time spent up to now is 374.1 secs Computing kpt #: 274 total cpu time spent up to now is 375.3 secs Computing kpt #: 275 total cpu time spent up to now is 376.3 secs Computing kpt #: 276 total cpu time spent up to now is 377.4 secs Computing kpt #: 277 total cpu time spent up to now is 378.4 secs Computing kpt #: 278 total cpu time spent up to now is 379.3 secs Computing kpt #: 279 total cpu time spent up to now is 380.2 secs Computing kpt #: 280 total cpu time spent up to now is 381.1 secs Computing kpt #: 281 total cpu time spent up to now is 382.1 secs Computing kpt #: 282 total cpu time spent up to now is 383.2 secs Computing kpt #: 283 total cpu time spent up to now is 384.3 secs Computing kpt #: 284 total cpu time spent up to now is 388.5 secs Computing kpt #: 285 total cpu time spent up to now is 389.6 secs Computing kpt #: 286 total cpu time spent up to now is 390.7 secs Computing kpt #: 287 total cpu time spent up to now is 391.9 secs Computing kpt #: 288 total cpu time spent up to now is 393.0 secs Computing kpt #: 289 total cpu time spent up to now is 394.1 secs Computing kpt #: 290 total cpu time spent up to now is 395.1 secs Computing kpt #: 291 total cpu time spent up to now is 396.2 secs Computing kpt #: 292 total cpu time spent up to now is 397.3 secs Computing kpt #: 293 total cpu time spent up to now is 398.4 secs Computing kpt #: 294 total cpu time spent up to now is 399.5 secs Computing kpt #: 295 total cpu time spent up to now is 400.7 secs Computing kpt #: 296 total cpu time spent up to now is 401.8 secs Computing kpt #: 297 total cpu time spent up to now is 402.9 secs Computing kpt #: 298 total cpu time spent up to now is 404.0 secs Computing kpt #: 299 total cpu time spent up to now is 405.1 secs Computing kpt #: 300 total cpu time spent up to now is 406.0 secs Computing kpt #: 301 total cpu time spent up to now is 407.0 secs Computing kpt #: 302 total cpu time spent up to now is 407.9 secs Computing kpt #: 303 total cpu time spent up to now is 409.0 secs Computing kpt #: 304 total cpu time spent up to now is 410.1 secs Computing kpt #: 305 total cpu time spent up to now is 411.5 secs Computing kpt #: 306 total cpu time spent up to now is 412.6 secs Computing kpt #: 307 total cpu time spent up to now is 414.2 secs Computing kpt #: 308 total cpu time spent up to now is 415.6 secs Computing kpt #: 309 total cpu time spent up to now is 416.8 secs Computing kpt #: 310 total cpu time spent up to now is 417.9 secs Computing kpt #: 311 total cpu time spent up to now is 418.9 secs Computing kpt #: 312 total cpu time spent up to now is 420.0 secs Computing kpt #: 313 total cpu time spent up to now is 421.0 secs Computing kpt #: 314 total cpu time spent up to now is 422.1 secs Computing kpt #: 315 total cpu time spent up to now is 423.1 secs Computing kpt #: 316 total cpu time spent up to now is 424.2 secs Computing kpt #: 317 total cpu time spent up to now is 425.2 secs Computing kpt #: 318 total cpu time spent up to now is 426.3 secs Computing kpt #: 319 total cpu time spent up to now is 427.3 secs Computing kpt #: 320 total cpu time spent up to now is 428.4 secs Computing kpt #: 321 total cpu time spent up to now is 429.4 secs Computing kpt #: 322 total cpu time spent up to now is 430.5 secs Computing kpt #: 323 total cpu time spent up to now is 431.6 secs Computing kpt #: 324 total cpu time spent up to now is 432.8 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.8 secs Computing kpt #: 326 total cpu time spent up to now is 436.7 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.6 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 440.6 secs Computing kpt #: 329 total cpu time spent up to now is 442.0 secs Computing kpt #: 330 total cpu time spent up to now is 443.1 secs Computing kpt #: 331 total cpu time spent up to now is 444.3 secs Computing kpt #: 332 total cpu time spent up to now is 445.4 secs Computing kpt #: 333 total cpu time spent up to now is 446.5 secs Computing kpt #: 334 total cpu time spent up to now is 447.7 secs Computing kpt #: 335 total cpu time spent up to now is 448.9 secs Computing kpt #: 336 total cpu time spent up to now is 450.0 secs Computing kpt #: 337 total cpu time spent up to now is 451.1 secs Computing kpt #: 338 total cpu time spent up to now is 452.2 secs Computing kpt #: 339 total cpu time spent up to now is 453.3 secs Computing kpt #: 340 total cpu time spent up to now is 454.4 secs Computing kpt #: 341 total cpu time spent up to now is 455.5 secs Computing kpt #: 342 total cpu time spent up to now is 456.6 secs Computing kpt #: 343 total cpu time spent up to now is 457.7 secs Computing kpt #: 344 total cpu time spent up to now is 459.0 secs Computing kpt #: 345 total cpu time spent up to now is 460.1 secs Computing kpt #: 346 total cpu time spent up to now is 461.2 secs Computing kpt #: 347 total cpu time spent up to now is 462.4 secs Computing kpt #: 348 total cpu time spent up to now is 463.5 secs Computing kpt #: 349 total cpu time spent up to now is 464.5 secs Computing kpt #: 350 total cpu time spent up to now is 465.3 secs Computing kpt #: 351 total cpu time spent up to now is 466.2 secs Computing kpt #: 352 total cpu time spent up to now is 467.0 secs Computing kpt #: 353 total cpu time spent up to now is 467.9 secs Computing kpt #: 354 total cpu time spent up to now is 468.8 secs Computing kpt #: 355 total cpu time spent up to now is 469.7 secs Computing kpt #: 356 total cpu time spent up to now is 470.7 secs Computing kpt #: 357 total cpu time spent up to now is 472.0 secs Computing kpt #: 358 total cpu time spent up to now is 473.5 secs Computing kpt #: 359 total cpu time spent up to now is 474.8 secs Computing kpt #: 360 total cpu time spent up to now is 476.7 secs Computing kpt #: 361 total cpu time spent up to now is 478.2 secs Computing kpt #: 362 total cpu time spent up to now is 479.7 secs Computing kpt #: 363 total cpu time spent up to now is 481.2 secs Computing kpt #: 364 total cpu time spent up to now is 482.6 secs Computing kpt #: 365 total cpu time spent up to now is 484.1 secs Computing kpt #: 366 total cpu time spent up to now is 485.4 secs Computing kpt #: 367 total cpu time spent up to now is 486.7 secs Computing kpt #: 368 total cpu time spent up to now is 487.9 secs Computing kpt #: 369 total cpu time spent up to now is 489.2 secs Computing kpt #: 370 total cpu time spent up to now is 490.3 secs Computing kpt #: 371 total cpu time spent up to now is 491.5 secs Computing kpt #: 372 total cpu time spent up to now is 492.7 secs Computing kpt #: 373 total cpu time spent up to now is 493.9 secs Computing kpt #: 374 total cpu time spent up to now is 495.1 secs Computing kpt #: 375 total cpu time spent up to now is 496.2 secs Computing kpt #: 376 total cpu time spent up to now is 497.4 secs Computing kpt #: 377 total cpu time spent up to now is 498.5 secs Computing kpt #: 378 total cpu time spent up to now is 499.6 secs Computing kpt #: 379 total cpu time spent up to now is 500.7 secs Computing kpt #: 380 total cpu time spent up to now is 501.8 secs Computing kpt #: 381 total cpu time spent up to now is 502.9 secs Computing kpt #: 382 total cpu time spent up to now is 504.0 secs Computing kpt #: 383 total cpu time spent up to now is 505.1 secs Computing kpt #: 384 total cpu time spent up to now is 506.1 secs Computing kpt #: 385 total cpu time spent up to now is 507.1 secs Computing kpt #: 386 total cpu time spent up to now is 508.0 secs Computing kpt #: 387 total cpu time spent up to now is 508.9 secs Computing kpt #: 388 total cpu time spent up to now is 509.9 secs Computing kpt #: 389 total cpu time spent up to now is 510.9 secs Computing kpt #: 390 total cpu time spent up to now is 511.9 secs Computing kpt #: 391 total cpu time spent up to now is 513.0 secs Computing kpt #: 392 total cpu time spent up to now is 514.0 secs Computing kpt #: 393 total cpu time spent up to now is 515.0 secs Computing kpt #: 394 total cpu time spent up to now is 516.0 secs Computing kpt #: 395 total cpu time spent up to now is 517.1 secs Computing kpt #: 396 total cpu time spent up to now is 518.1 secs Computing kpt #: 397 total cpu time spent up to now is 519.1 secs Computing kpt #: 398 total cpu time spent up to now is 520.2 secs Computing kpt #: 399 total cpu time spent up to now is 521.2 secs Computing kpt #: 400 total cpu time spent up to now is 522.3 secs Computing kpt #: 401 total cpu time spent up to now is 523.3 secs Computing kpt #: 402 total cpu time spent up to now is 524.3 secs ethr = 2.17E-08, avg # of iterations = 43.2 total cpu time spent up to now is 524.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3691 PWs) bands (ev): 1.8540 1.8540 4.4193 4.4193 4.8059 4.8059 6.7505 6.7505 7.8623 7.8623 8.0949 8.0949 8.6150 8.6150 8.6535 8.6535 9.9489 9.9489 10.4081 10.4081 10.8360 10.8360 11.0984 11.0984 11.7403 11.7403 12.6219 12.6219 12.6376 12.6376 12.7659 12.7659 13.4149 13.4149 13.5075 13.5075 14.3020 14.3020 14.3443 14.3443 14.8855 14.8855 15.1920 15.1920 15.5416 15.5416 15.6598 15.6598 16.2556 16.2556 17.0939 17.0939 17.2284 17.2284 17.2520 17.2520 k = 0.0101 0.0121-0.0000 ( 3687 PWs) bands (ev): 1.8550 1.8550 4.4183 4.4183 4.8036 4.8036 6.7530 6.7530 7.8616 7.8616 8.0954 8.0954 8.6154 8.6154 8.6552 8.6552 9.9487 9.9487 10.4072 10.4072 10.8341 10.8341 11.0962 11.0962 11.7421 11.7421 12.6226 12.6226 12.6388 12.6388 12.7656 12.7656 13.4131 13.4131 13.5114 13.5114 14.2999 14.2999 14.3439 14.3439 14.8882 14.8882 15.1878 15.1878 15.5396 15.5396 15.6653 15.6653 16.2477 16.2477 17.1022 17.1022 17.2285 17.2285 17.2505 17.2505 k = 0.0203 0.0242-0.0000 ( 3683 PWs) bands (ev): 1.8581 1.8581 4.4151 4.4151 4.7966 4.7966 6.7605 6.7605 7.8592 7.8592 8.0971 8.0971 8.6168 8.6168 8.6602 8.6602 9.9483 9.9483 10.4046 10.4046 10.8285 10.8285 11.0896 11.0896 11.7476 11.7476 12.6249 12.6249 12.6426 12.6426 12.7646 12.7646 13.4078 13.4078 13.5225 13.5225 14.2930 14.2930 14.3436 14.3436 14.8954 14.8954 15.1764 15.1764 15.5337 15.5337 15.6808 15.6808 16.2248 16.2248 17.1260 17.1260 17.2285 17.2285 17.2466 17.2466 k = 0.0304 0.0363-0.0000 ( 3679 PWs) bands (ev): 1.8631 1.8631 4.4098 4.4098 4.7852 4.7852 6.7728 6.7728 7.8554 7.8554 8.0998 8.0998 8.6189 8.6189 8.6685 8.6685 9.9474 9.9474 10.4003 10.4003 10.8193 10.8193 11.0785 11.0785 11.7566 11.7566 12.6286 12.6286 12.6485 12.6485 12.7633 12.7633 13.3994 13.3994 13.5407 13.5407 14.2810 14.2810 14.3445 14.3445 14.9042 14.9042 15.1619 15.1619 15.5238 15.5238 15.7043 15.7043 16.1891 16.1891 17.1629 17.1629 17.2272 17.2272 17.2419 17.2419 k = 0.0405 0.0484-0.0000 ( 3687 PWs) bands (ev): 1.8702 1.8702 4.4025 4.4025 4.7696 4.7696 6.7896 6.7896 7.8501 7.8501 8.1036 8.1036 8.6220 8.6220 8.6797 8.6797 9.9462 9.9462 10.3944 10.3944 10.8067 10.8067 11.0633 11.0633 11.7689 11.7689 12.6337 12.6337 12.6561 12.6561 12.7619 12.7619 13.3886 13.3886 13.5652 13.5652 14.2642 14.2642 14.3474 14.3474 14.9095 14.9095 15.1506 15.1506 15.5101 15.5101 15.7338 15.7338 16.1437 16.1437 17.2056 17.2056 17.2253 17.2253 17.2402 17.2402 k = 0.0507 0.0605-0.0000 ( 3681 PWs) bands (ev): 1.8793 1.8793 4.3932 4.3932 4.7499 4.7499 6.8109 6.8109 7.8435 7.8435 8.1085 8.1085 8.6259 8.6259 8.6937 8.6937 9.9447 9.9447 10.3871 10.3871 10.7911 10.7911 11.0441 11.0441 11.7842 11.7842 12.6404 12.6404 12.6646 12.6646 12.7608 12.7608 13.3762 13.3762 13.5953 13.5953 14.2440 14.2440 14.3520 14.3520 14.9051 14.9051 15.1497 15.1497 15.4925 15.4925 15.7671 15.7671 16.0912 16.0912 17.2060 17.2060 17.2413 17.2413 17.2689 17.2689 k = 0.0608 0.0725-0.0000 ( 3681 PWs) bands (ev): 1.8903 1.8903 4.3820 4.3820 4.7266 4.7266 6.8361 6.8361 7.8357 7.8357 8.1145 8.1145 8.6307 8.6307 8.7102 8.7102 9.9429 9.9429 10.3786 10.3786 10.7727 10.7727 11.0211 11.0211 11.8022 11.8022 12.6486 12.6486 12.6733 12.6733 12.7606 12.7606 13.3631 13.3631 13.6304 13.6304 14.2217 14.2217 14.3582 14.3582 14.8874 14.8874 15.1632 15.1632 15.4709 15.4709 15.8028 15.8028 16.0338 16.0338 17.1923 17.1923 17.2445 17.2445 17.3289 17.3289 k = 0.0709 0.0846-0.0000 ( 3681 PWs) bands (ev): 1.9034 1.9034 4.3690 4.3690 4.7000 4.7000 6.8649 6.8649 7.8266 7.8266 8.1216 8.1216 8.6363 8.6363 8.7286 8.7286 9.9407 9.9407 10.3690 10.3690 10.7519 10.7519 10.9947 10.9947 11.8226 11.8226 12.6582 12.6582 12.6811 12.6811 12.7614 12.7614 13.3504 13.3504 13.6698 13.6698 14.1982 14.1982 14.3657 14.3657 14.8577 14.8577 15.1901 15.1901 15.4455 15.4455 15.8397 15.8397 15.9733 15.9733 17.1764 17.1764 17.2488 17.2488 17.3931 17.3931 k = 0.0811 0.0967-0.0000 ( 3683 PWs) bands (ev): 1.9183 1.9183 4.3542 4.3542 4.6705 4.6705 6.8970 6.8970 7.8164 7.8164 8.1297 8.1297 8.6427 8.6427 8.7487 8.7487 9.9381 9.9381 10.3587 10.3587 10.7294 10.7294 10.9652 10.9652 11.8449 11.8449 12.6692 12.6692 12.6870 12.6870 12.7636 12.7636 13.3394 13.3394 13.7125 13.7125 14.1745 14.1745 14.3745 14.3745 14.8198 14.8198 15.2266 15.2266 15.4162 15.4162 15.8740 15.8740 15.9143 15.9143 17.1593 17.1593 17.2541 17.2541 17.4596 17.4596 k = 0.0912 0.1088-0.0000 ( 3679 PWs) bands (ev): 1.9353 1.9353 4.3378 4.3378 4.6384 4.6384 6.9319 6.9319 7.8053 7.8053 8.1389 8.1389 8.6500 8.6500 8.7699 8.7699 9.9352 9.9352 10.3477 10.3477 10.7055 10.7055 10.9329 10.9329 11.8686 11.8686 12.6810 12.6810 12.6905 12.6905 12.7673 12.7673 13.3315 13.3315 13.7581 13.7581 14.1514 14.1514 14.3844 14.3844 14.7772 14.7772 15.2692 15.2692 15.3834 15.3834 15.8418 15.8418 15.9210 15.9210 17.1417 17.1417 17.2604 17.2604 17.5272 17.5272 k = 0.1013 0.1209-0.0000 ( 3689 PWs) bands (ev): 1.9541 1.9541 4.3199 4.3199 4.6041 4.6041 6.9692 6.9692 7.7931 7.7931 8.1492 8.1492 8.6581 8.6581 8.7917 8.7917 9.9319 9.9319 10.3363 10.3363 10.6808 10.6808 10.8981 10.8981 11.8932 11.8932 12.6863 12.6863 12.6978 12.6978 12.7726 12.7726 13.3278 13.3278 13.8057 13.8057 14.1293 14.1293 14.3954 14.3954 14.7318 14.7318 15.3126 15.3126 15.3500 15.3500 15.7782 15.7782 15.9589 15.9589 17.1239 17.1239 17.2677 17.2677 17.5948 17.5948 k = 0.1115 0.1330-0.0000 ( 3693 PWs) bands (ev): 1.9748 1.9748 4.3007 4.3007 4.5680 4.5680 7.0087 7.0087 7.7800 7.7800 8.1605 8.1605 8.6670 8.6670 8.8136 8.8136 9.9283 9.9283 10.3247 10.3247 10.6559 10.6559 10.8613 10.8613 11.9181 11.9181 12.6808 12.6808 12.7124 12.7124 12.7796 12.7796 13.3292 13.3292 13.8548 13.8548 14.1088 14.1088 14.4075 14.4075 14.6853 14.6853 15.3011 15.3011 15.3704 15.3704 15.7136 15.7136 15.9983 15.9983 17.1064 17.1064 17.2761 17.2761 17.6614 17.6614 k = 0.1216 0.1451-0.0000 ( 3693 PWs) bands (ev): 1.9974 1.9974 4.2801 4.2801 4.5303 4.5303 7.0499 7.0499 7.7660 7.7660 8.1727 8.1727 8.6766 8.6766 8.8349 8.8349 9.9242 9.9242 10.3132 10.3132 10.6315 10.6315 10.8227 10.8227 11.9429 11.9429 12.6695 12.6695 12.7291 12.7291 12.7884 12.7884 13.3361 13.3361 13.9046 13.9046 14.0906 14.0906 14.4210 14.4210 14.6387 14.6387 15.2578 15.2578 15.4203 15.4203 15.6492 15.6492 16.0386 16.0386 17.0892 17.0892 17.2856 17.2856 17.7258 17.7258 k = 0.1317 0.1572-0.0000 ( 3703 PWs) bands (ev): 2.0218 2.0218 4.2585 4.2585 4.4915 4.4915 7.0925 7.0925 7.7510 7.7510 8.1860 8.1860 8.6871 8.6871 8.8550 8.8550 9.9198 9.9198 10.3018 10.3018 10.6082 10.6082 10.7826 10.7826 11.9668 11.9668 12.6528 12.6528 12.7473 12.7473 12.7992 12.7992 13.3484 13.3484 13.9544 13.9544 14.0752 14.0752 14.4357 14.4357 14.5925 14.5925 15.2097 15.2097 15.4711 15.4711 15.5860 15.5860 16.0800 16.0800 17.0727 17.0727 17.2964 17.2964 17.7867 17.7867 k = 0.1418 0.1693-0.0000 ( 3689 PWs) bands (ev): 2.0480 2.0480 4.2358 4.2358 4.4517 4.4517 7.1363 7.1363 7.7351 7.7351 8.2002 8.2002 8.6983 8.6983 8.8733 8.8733 9.9150 9.9150 10.2907 10.2907 10.5869 10.5869 10.7413 10.7413 11.9894 11.9894 12.6315 12.6315 12.7669 12.7669 12.8120 12.8120 13.3657 13.3657 14.0022 14.0022 14.0647 14.0647 14.4519 14.4519 14.5476 14.5476 15.1581 15.1581 15.5085 15.5085 15.5373 15.5373 16.1229 16.1229 17.0569 17.0569 17.3085 17.3085 17.8422 17.8422 k = 0.1520 0.1814-0.0000 ( 3691 PWs) bands (ev): 2.0759 2.0759 4.2123 4.2123 4.4112 4.4112 7.1808 7.1808 7.7182 7.7182 8.2154 8.2154 8.7102 8.7102 8.8890 8.8890 9.9098 9.9098 10.2802 10.2802 10.5681 10.5681 10.6992 10.6992 12.0098 12.0098 12.6062 12.6062 12.7879 12.7879 12.8267 12.8267 13.3870 13.3870 14.0349 14.0349 14.0718 14.0718 14.4695 14.4695 14.5043 14.5043 15.1030 15.1030 15.4572 15.4572 15.5771 15.5771 16.1678 16.1678 17.0420 17.0420 17.3219 17.3219 17.8648 17.8648 k = 0.1621 0.1935-0.0000 ( 3685 PWs) bands (ev): 2.1055 2.1055 4.1881 4.1881 4.3703 4.3703 7.2260 7.2260 7.7003 7.7003 8.2314 8.2314 8.7228 8.7228 8.9015 8.9015 9.9042 9.9042 10.2703 10.2703 10.5527 10.5527 10.6564 10.6564 12.0277 12.0277 12.5780 12.5780 12.8102 12.8102 12.8434 12.8434 13.4117 13.4117 14.0374 14.0374 14.1116 14.1116 14.4624 14.4624 14.4894 14.4894 15.0446 15.0446 15.3974 15.3974 15.6250 15.6250 16.2152 16.2152 17.0281 17.0281 17.3367 17.3367 17.8362 17.8362 k = 0.1722 0.2056-0.0000 ( 3677 PWs) bands (ev): 2.1367 2.1367 4.1633 4.1633 4.3292 4.3292 7.2715 7.2715 7.6813 7.6813 8.2483 8.2483 8.7362 8.7362 8.9102 8.9102 9.8982 9.8982 10.2611 10.2611 10.5413 10.5413 10.6133 10.6133 12.0423 12.0423 12.5477 12.5477 12.8337 12.8337 12.8620 12.8620 13.4386 13.4386 14.0364 14.0364 14.1574 14.1574 14.4234 14.4234 14.5105 14.5105 14.9833 14.9833 15.3386 15.3386 15.6710 15.6710 16.2659 16.2659 17.0152 17.0152 17.3531 17.3531 17.8075 17.8075 k = 0.1824 0.2176-0.0000 ( 3677 PWs) bands (ev): 2.1695 2.1695 4.1380 4.1380 4.2881 4.2881 7.3170 7.3170 7.6612 7.6612 8.2659 8.2659 8.7502 8.7502 8.9145 8.9145 9.8917 9.8917 10.2529 10.2529 10.5344 10.5344 10.5702 10.5702 12.0532 12.0532 12.5160 12.5160 12.8584 12.8584 12.8824 12.8824 13.4670 13.4670 14.0382 14.0382 14.2024 14.2024 14.3869 14.3869 14.5336 14.5336 14.9192 14.9192 15.2813 15.2813 15.7141 15.7141 16.3202 16.3202 17.0032 17.0032 17.3711 17.3711 17.7788 17.7788 k = 0.1925 0.2297-0.0000 ( 3679 PWs) bands (ev): 2.2038 2.2038 4.1125 4.1125 4.2471 4.2471 7.3625 7.3625 7.6399 7.6399 8.2843 8.2843 8.7648 8.7648 8.9141 8.9141 9.8848 9.8848 10.2456 10.2456 10.5251 10.5251 10.5347 10.5347 12.0598 12.0598 12.4838 12.4838 12.8843 12.8843 12.9045 12.9045 13.4961 13.4961 14.0439 14.0439 14.2449 14.2449 14.3538 14.3538 14.5588 14.5588 14.8526 14.8526 15.2259 15.2259 15.7536 15.7536 16.3786 16.3786 16.9923 16.9923 17.3907 17.3907 17.7504 17.7504 k = 0.2026 0.2418-0.0000 ( 3689 PWs) bands (ev): 2.2396 2.2396 4.0867 4.0867 4.2064 4.2064 7.4077 7.4077 7.6172 7.6172 8.3034 8.3034 8.7801 8.7801 8.9088 8.9088 9.8774 9.8774 10.2395 10.2395 10.4833 10.4833 10.5377 10.5377 12.0619 12.0619 12.4516 12.4516 12.9112 12.9112 12.9283 12.9283 13.5253 13.5253 14.0535 14.0535 14.2816 14.2816 14.3273 14.3273 14.5860 14.5860 14.7838 14.7838 15.1725 15.1725 15.7895 15.7895 16.4412 16.4412 16.9823 16.9823 17.4120 17.4120 17.7226 17.7226 k = 0.2128 0.2539-0.0000 ( 3707 PWs) bands (ev): 2.2767 2.2767 4.0608 4.0608 4.1662 4.1662 7.4523 7.4523 7.5932 7.5932 8.3230 8.3230 8.7959 8.7959 8.8984 8.8984 9.8696 9.8696 10.2345 10.2345 10.4407 10.4407 10.5475 10.5475 12.0591 12.0591 12.4198 12.4198 12.9392 12.9392 12.9537 12.9537 13.5540 13.5540 14.0669 14.0669 14.2850 14.2850 14.3344 14.3344 14.6150 14.6150 14.7131 14.7131 15.1214 15.1214 15.8218 15.8218 16.5081 16.5081 16.9733 16.9733 17.4349 17.4349 17.6954 17.6954 k = 0.2229 0.2660-0.0000 ( 3703 PWs) bands (ev): 2.3150 2.3150 4.0350 4.0350 4.1266 4.1266 7.4961 7.4961 7.5679 7.5679 8.3433 8.3433 8.8124 8.8124 8.8833 8.8833 9.8614 9.8614 10.2308 10.2308 10.3986 10.3986 10.5632 10.5632 12.0514 12.0514 12.3889 12.3889 12.9681 12.9681 12.9806 12.9806 13.5819 13.5819 14.0838 14.0838 14.2647 14.2647 14.3662 14.3662 14.6355 14.6355 14.6515 14.6515 15.0728 15.0728 15.8508 15.8508 16.5792 16.5792 16.9652 16.9652 17.4596 17.4596 17.6690 17.6690 k = 0.2330 0.2781-0.0000 ( 3703 PWs) bands (ev): 2.3546 2.3546 4.0092 4.0092 4.0877 4.0877 7.5327 7.5327 7.5476 7.5476 8.3639 8.3639 8.8293 8.8293 8.8636 8.8636 9.8527 9.8527 10.2285 10.2285 10.3572 10.3572 10.5847 10.5847 12.0388 12.0388 12.3591 12.3591 12.9980 12.9980 13.0089 13.0089 13.6086 13.6086 14.1026 14.1026 14.2464 14.2464 14.3970 14.3970 14.5664 14.5664 14.6805 14.6805 15.0268 15.0268 15.8766 15.8766 16.6542 16.6542 16.9580 16.9580 17.4860 17.4860 17.6434 17.6434 k = 0.2432 0.2902-0.0000 ( 3703 PWs) bands (ev): 2.3952 2.3952 3.9837 3.9837 4.0497 4.0497 7.5102 7.5102 7.5837 7.5837 8.3850 8.3850 8.8399 8.8399 8.8468 8.8468 9.8436 9.8436 10.2276 10.2276 10.3166 10.3166 10.6115 10.6115 12.0214 12.0214 12.3307 12.3307 13.0287 13.0287 13.0385 13.0385 13.6337 13.6337 14.1206 14.1206 14.2350 14.2350 14.4214 14.4214 14.4958 14.4958 14.7151 14.7151 14.9839 14.9839 15.8998 15.8998 16.7327 16.7327 16.9517 16.9517 17.5139 17.5139 17.6182 17.6182 k = 0.2533 0.3023-0.0000 ( 3707 PWs) bands (ev): 2.4368 2.4368 3.9585 3.9585 4.0128 4.0128 7.4798 7.4798 7.6248 7.6248 8.4063 8.4063 8.8129 8.8129 8.8647 8.8647 9.8340 9.8340 10.2282 10.2282 10.2770 10.2770 10.6433 10.6433 11.9993 11.9993 12.3038 12.3038 13.0601 13.0601 13.0693 13.0693 13.6572 13.6572 14.1328 14.1328 14.2352 14.2352 14.4014 14.4014 14.4654 14.4654 14.7509 14.7509 14.9445 14.9445 15.9208 15.9208 16.8144 16.8144 16.9462 16.9462 17.5429 17.5429 17.5912 17.5912 k = 0.2634 0.3144-0.0000 ( 3699 PWs) bands (ev): 2.4791 2.4791 3.9335 3.9335 3.9772 3.9772 7.4474 7.4474 7.6651 7.6651 8.4278 8.4278 8.7833 8.7833 8.8832 8.8832 9.8240 9.8240 10.2299 10.2299 10.2388 10.2388 10.6796 10.6796 11.9729 11.9729 12.2786 12.2786 13.0920 13.0920 13.1014 13.1014 13.6786 13.6786 14.1353 14.1353 14.2502 14.2502 14.3311 14.3311 14.4816 14.4816 14.7863 14.7863 14.9101 14.9101 15.9401 15.9401 16.8982 16.8982 16.9422 16.9422 17.5448 17.5448 17.5705 17.5705 k = 0.2736 0.3265-0.0000 ( 3703 PWs) bands (ev): 2.5222 2.5222 3.9085 3.9085 3.9432 3.9432 7.4129 7.4129 7.7043 7.7043 8.4492 8.4492 8.7517 8.7517 8.9020 8.9020 9.8134 9.8134 10.2005 10.2005 10.2345 10.2345 10.7200 10.7200 11.9424 11.9424 12.2550 12.2550 13.1240 13.1240 13.1348 13.1348 13.6979 13.6979 14.1308 14.1308 14.2521 14.2521 14.2808 14.2808 14.4991 14.4991 14.8154 14.8154 14.8866 14.8866 15.9581 15.9581 16.9353 16.9353 16.9881 16.9881 17.4731 17.4731 17.5591 17.5591 k = 0.2837 0.3386-0.0000 ( 3691 PWs) bands (ev): 2.5658 2.5658 3.8834 3.8834 3.9113 3.9113 7.3766 7.3766 7.7421 7.7421 8.4705 8.4705 8.7190 8.7190 8.9211 8.9211 9.8025 9.8025 10.1642 10.1642 10.2400 10.2400 10.7639 10.7639 11.9084 11.9084 12.2332 12.2332 13.1560 13.1560 13.1695 13.1695 13.7146 13.7146 14.1234 14.1234 14.1790 14.1790 14.3124 14.3124 14.5136 14.5136 14.8180 14.8180 14.8940 14.8940 15.9752 15.9752 16.9325 16.9325 17.0768 17.0768 17.3927 17.3927 17.5395 17.5395 k = 0.2938 0.3506-0.0000 ( 3687 PWs) bands (ev): 2.6097 2.6097 3.8573 3.8573 3.8824 3.8824 7.3384 7.3384 7.7786 7.7786 8.4914 8.4914 8.6861 8.6861 8.9406 8.9406 9.7911 9.7911 10.1292 10.1292 10.2472 10.2472 10.8108 10.8108 11.8712 11.8712 12.2131 12.2131 13.1875 13.1875 13.2054 13.2054 13.7277 13.7277 14.1015 14.1015 14.1197 14.1197 14.3495 14.3495 14.5249 14.5249 14.7995 14.7995 14.9269 14.9269 15.9918 15.9918 16.9295 16.9295 17.1678 17.1678 17.3082 17.3082 17.5216 17.5216 k = 0.3040 0.3627-0.0000 ( 3689 PWs) bands (ev): 2.6538 2.6538 3.8299 3.8299 3.8570 3.8570 7.2984 7.2984 7.8136 7.8136 8.5111 8.5111 8.6540 8.6540 8.9604 8.9604 9.7791 9.7791 10.0954 10.0954 10.2562 10.2562 10.8603 10.8603 11.8311 11.8311 12.1947 12.1947 13.2184 13.2184 13.2425 13.2425 13.7356 13.7356 14.0335 14.0335 14.1109 14.1109 14.3884 14.3884 14.5326 14.5326 14.7791 14.7791 14.9661 14.9661 16.0085 16.0085 16.9269 16.9269 17.2206 17.2206 17.2603 17.2603 17.5055 17.5055 k = 0.3141 0.3748-0.0000 ( 3695 PWs) bands (ev): 2.6978 2.6978 3.8019 3.8019 3.8346 3.8346 7.2567 7.2567 7.8470 7.8470 8.5280 8.5280 8.6249 8.6249 8.9804 8.9804 9.7668 9.7668 10.0630 10.0630 10.2670 10.2670 10.9118 10.9118 11.7887 11.7887 12.1780 12.1780 13.2486 13.2486 13.2806 13.2806 13.7345 13.7345 13.9713 13.9713 14.1051 14.1051 14.4277 14.4277 14.5368 14.5368 14.7614 14.7614 15.0068 15.0068 16.0253 16.0253 16.9246 16.9246 17.1311 17.1311 17.3528 17.3528 17.4917 17.4917 k = 0.3242 0.3869-0.0000 ( 3693 PWs) bands (ev): 2.7415 2.7415 3.7741 3.7741 3.8144 3.8144 7.2135 7.2135 7.8789 7.8789 8.5368 8.5368 8.6044 8.6044 9.0006 9.0006 9.7540 9.7540 10.0321 10.0321 10.2795 10.2795 10.9650 10.9650 11.7442 11.7442 12.1629 12.1629 13.2779 13.2779 13.3195 13.3195 13.7177 13.7177 13.9240 13.9240 14.1008 14.1008 14.4660 14.4660 14.5383 14.5383 14.7475 14.7475 15.0478 15.0478 16.0426 16.0426 16.9226 16.9226 17.0399 17.0399 17.4390 17.4390 17.4864 17.4864 k = 0.3344 0.3990-0.0000 ( 3693 PWs) bands (ev): 2.7847 2.7847 3.7472 3.7472 3.7962 3.7962 7.1691 7.1691 7.9091 7.9091 8.5278 8.5278 8.6025 8.6025 9.0210 9.0210 9.7409 9.7409 10.0027 10.0027 10.2939 10.2939 11.0195 11.0195 11.6981 11.6981 12.1493 12.1493 13.3059 13.3059 13.3593 13.3593 13.6798 13.6798 13.8975 13.8975 14.0977 14.0977 14.5002 14.5002 14.5394 14.5394 14.7380 14.7380 15.0884 15.0884 16.0606 16.0606 16.9196 16.9196 16.9490 16.9490 17.4576 17.4576 17.5503 17.5503 k = 0.3445 0.4111-0.0000 ( 3689 PWs) bands (ev): 2.8272 2.8272 3.7215 3.7215 3.7796 3.7796 7.1238 7.1238 7.9375 7.9375 8.5058 8.5058 8.6146 8.6146 9.0415 9.0415 9.7274 9.7274 9.9748 9.9748 10.3100 10.3100 11.0749 11.0749 11.6506 11.6506 12.1371 12.1371 13.3323 13.3323 13.3997 13.3997 13.6245 13.6245 13.8885 13.8885 14.0957 14.0957 14.5159 14.5159 14.5543 14.5543 14.7334 14.7334 15.1282 15.1282 16.0795 16.0795 16.8528 16.8528 16.9212 16.9212 17.4490 17.4490 17.6425 17.6425 k = 0.3546 0.4232-0.0000 ( 3691 PWs) bands (ev): 2.8685 2.8685 3.6970 3.6970 3.7647 3.7647 7.0778 7.0778 7.9643 7.9643 8.4805 8.4805 8.6310 8.6310 9.0620 9.0620 9.7135 9.7135 9.9485 9.9485 10.3279 10.3279 11.1308 11.1308 11.6022 11.6022 12.1263 12.1263 13.3568 13.3568 13.4406 13.4406 13.5601 13.5601 13.8891 13.8891 14.0948 14.0948 14.5108 14.5108 14.5846 14.5846 14.7338 14.7338 15.1668 15.1668 16.0992 16.0992 16.7597 16.7597 16.9196 16.9196 17.4399 17.4399 17.7357 17.7357 k = 0.3648 0.4353-0.0000 ( 3689 PWs) bands (ev): 2.9084 2.9084 3.6740 3.6740 3.7514 3.7514 7.0317 7.0317 7.9892 7.9892 8.4555 8.4555 8.6483 8.6483 9.0824 9.0824 9.6994 9.6994 9.9239 9.9239 10.3475 10.3475 11.1870 11.1870 11.5532 11.5532 12.1168 12.1168 13.3787 13.3787 13.4783 13.4783 13.4963 13.4963 13.8941 13.8941 14.0948 14.0948 14.4991 14.4991 14.6160 14.6160 14.7393 14.7393 15.2039 15.2039 16.1199 16.1199 16.6663 16.6663 16.9186 16.9186 17.4317 17.4317 17.8278 17.8278 k = 0.3749 0.4474-0.0000 ( 3689 PWs) bands (ev): 2.9466 2.9466 3.6524 3.6524 3.7399 3.7399 6.9859 6.9859 8.0124 8.0124 8.4318 8.4318 8.6655 8.6655 9.1028 9.1028 9.6851 9.6851 9.9009 9.9009 10.3688 10.3688 11.2431 11.2431 11.5038 11.5038 12.1085 12.1085 13.3916 13.3916 13.4294 13.4294 13.5255 13.5255 13.9012 13.9012 14.0955 14.0955 14.4837 14.4837 14.6456 14.6456 14.7500 14.7500 15.2393 15.2393 16.1412 16.1412 16.5734 16.5734 16.9178 16.9178 17.4245 17.4245 17.9179 17.9179 k = 0.3850 0.4595-0.0000 ( 3691 PWs) bands (ev): 2.9828 2.9828 3.6324 3.6324 3.7301 3.7301 6.9408 6.9408 8.0337 8.0337 8.4096 8.4096 8.6821 8.6821 9.1229 9.1229 9.6706 9.6706 9.8795 9.8795 10.3916 10.3916 11.2987 11.2987 11.4543 11.4543 12.1012 12.1012 13.3452 13.3452 13.4252 13.4252 13.5676 13.5676 13.9091 13.9091 14.0969 14.0969 14.4654 14.4654 14.6727 14.6727 14.7657 14.7657 15.2727 15.2727 16.1633 16.1633 16.4814 16.4814 16.9170 16.9170 17.4184 17.4184 18.0047 18.0047 k = 0.3952 0.4716-0.0000 ( 3695 PWs) bands (ev): 3.0167 3.0167 3.6140 3.6140 3.7220 3.7220 6.8970 6.8970 8.0533 8.0533 8.3894 8.3894 8.6979 8.6979 9.1427 9.1427 9.6560 9.6560 9.8599 9.8599 10.4158 10.4158 11.3534 11.3534 11.4052 11.4052 12.0948 12.0948 13.2789 13.2789 13.4399 13.4399 13.6100 13.6100 13.9173 13.9173 14.0988 14.0988 14.4443 14.4443 14.6973 14.6973 14.7861 14.7861 15.3039 15.3039 16.1856 16.1856 16.3907 16.3907 16.9163 16.9163 17.4132 17.4132 18.0509 18.0509 k = 0.4053 0.4837-0.0000 ( 3691 PWs) bands (ev): 3.0479 3.0479 3.5972 3.5972 3.7157 3.7157 6.8549 6.8549 8.0710 8.0710 8.3711 8.3711 8.7126 8.7126 9.1622 9.1622 9.6414 9.6414 9.8420 9.8420 10.4414 10.4414 11.3566 11.3566 11.4070 11.4070 12.0893 12.0893 13.2132 13.2132 13.4539 13.4539 13.6524 13.6524 13.9254 13.9254 14.1011 14.1011 14.4209 14.4209 14.7194 14.7194 14.8111 14.8111 15.3327 15.3327 16.2078 16.2078 16.3018 16.3018 16.9157 16.9157 17.4090 17.4090 18.0853 18.0853 k = 0.4154 0.4957-0.0000 ( 3689 PWs) bands (ev): 3.0762 3.0762 3.5820 3.5820 3.7111 3.7111 6.8152 6.8152 8.0869 8.0869 8.3548 8.3548 8.7262 8.7262 9.1810 9.1810 9.6270 9.6270 9.8259 9.8259 10.4680 10.4680 11.3090 11.3090 11.4588 11.4588 12.0846 12.0846 13.1499 13.1499 13.4661 13.4661 13.6946 13.6946 13.9333 13.9333 14.1036 14.1036 14.3954 14.3954 14.7388 14.7388 14.8401 14.8401 15.3590 15.3590 16.2151 16.2151 16.2297 16.2297 16.9151 16.9151 17.4056 17.4056 18.1180 18.1180 k = 0.4255 0.5078-0.0000 ( 3685 PWs) bands (ev): 3.1014 3.1014 3.5685 3.5685 3.7080 3.7080 6.7784 6.7784 8.1010 8.1010 8.3404 8.3404 8.7385 8.7385 9.1991 9.1991 9.6128 9.6128 9.8116 9.8116 10.4953 10.4953 11.2627 11.2627 11.5082 11.5082 12.0806 12.0806 13.0900 13.0900 13.4764 13.4764 13.7364 13.7364 13.9408 13.9408 14.1061 14.1061 14.3681 14.3681 14.7555 14.7555 14.8728 14.8728 15.3826 15.3826 16.1317 16.1317 16.2505 16.2505 16.9146 16.9146 17.4030 17.4030 18.1487 18.1487 k = 0.4255 0.5078-0.0000 ( 3685 PWs) bands (ev): 3.1014 3.1014 3.5685 3.5685 3.7080 3.7080 6.7784 6.7784 8.1010 8.1010 8.3404 8.3404 8.7385 8.7385 9.1991 9.1991 9.6128 9.6128 9.8116 9.8116 10.4953 10.4953 11.2627 11.2627 11.5082 11.5082 12.0806 12.0806 13.0900 13.0900 13.4764 13.4764 13.7364 13.7364 13.9408 13.9408 14.1061 14.1061 14.3681 14.3681 14.7555 14.7555 14.8728 14.8728 15.3826 15.3826 16.1317 16.1317 16.2505 16.2505 16.9146 16.9146 17.4030 17.4030 18.1487 18.1487 k = 0.4098 0.5078-0.0000 ( 3687 PWs) bands (ev): 3.0833 3.0833 3.5737 3.5737 3.7157 3.7157 6.8028 6.8028 8.0895 8.0895 8.3512 8.3512 8.7303 8.7303 9.1868 9.1868 9.6209 9.6209 9.8229 9.8229 10.4762 10.4762 11.2871 11.2871 11.4812 11.4812 12.0865 12.0865 13.1281 13.1281 13.4696 13.4696 13.7085 13.7085 13.9336 13.9336 14.1070 14.1070 14.3846 14.3846 14.7453 14.7453 14.8532 14.8532 15.3678 15.3678 16.1855 16.1855 16.2364 16.2364 16.9114 16.9114 17.4041 17.4041 18.1263 18.1263 k = 0.3940 0.5078-0.0000 ( 3689 PWs) bands (ev): 3.0606 3.0606 3.5707 3.5707 3.7371 3.7371 6.8306 6.8306 8.0728 8.0728 8.3657 8.3657 8.7207 8.7207 9.1729 9.1729 9.6271 9.6271 9.8395 9.8395 10.4549 10.4549 11.2969 11.2969 11.4669 11.4669 12.0990 12.0990 13.1678 13.1678 13.4608 13.4608 13.6784 13.6784 13.9218 13.9218 14.1124 14.1124 14.3982 14.3982 14.7347 14.7347 14.8384 14.8384 15.3517 15.3517 16.2200 16.2200 16.2420 16.2420 16.9011 16.9011 17.4044 17.4044 18.0981 18.0981 k = 0.3783 0.5078-0.0000 ( 3691 PWs) bands (ev): 3.0350 3.0350 3.5600 3.5600 3.7701 3.7701 6.8615 6.8615 8.0522 8.0522 8.3825 8.3825 8.7099 8.7099 9.1577 9.1577 9.6314 9.6314 9.8609 9.8609 10.4317 10.4317 11.2865 11.2865 11.4709 11.4709 12.1178 12.1178 13.2087 13.2087 13.4494 13.4494 13.6473 13.6473 13.9062 13.9062 14.1216 14.1216 14.4094 14.4094 14.7238 14.7238 14.8279 14.8279 15.3344 15.3344 16.2017 16.2017 16.3003 16.3003 16.8835 16.8835 17.4039 17.4039 18.0654 18.0654 k = 0.3625 0.5078-0.0000 ( 3692 PWs) bands (ev): 3.0077 3.0077 3.5443 3.5443 3.8107 3.8107 6.8951 6.8951 8.0287 8.0287 8.4007 8.4007 8.6979 8.6979 9.1418 9.1418 9.6341 9.6341 9.8863 9.8863 10.4072 10.4072 11.2597 11.2597 11.4895 11.4895 12.1421 12.1421 13.2507 13.2507 13.4341 13.4341 13.6168 13.6168 13.8879 13.8879 14.1335 14.1335 14.4185 14.4185 14.7128 14.7128 14.8211 14.8211 15.3159 15.3159 16.1814 16.1814 16.3605 16.3605 16.8590 16.8590 17.4028 17.4028 18.0296 18.0296 k = 0.3467 0.5078-0.0000 ( 3689 PWs) bands (ev): 2.9794 2.9794 3.5259 3.5259 3.8561 3.8561 6.9312 6.9312 8.0033 8.0033 8.4195 8.4195 8.6849 8.6849 9.1253 9.1253 9.6355 9.6355 9.9149 9.9149 10.3819 10.3819 11.2236 11.2236 11.5157 11.5157 12.1710 12.1710 13.2931 13.2931 13.4138 13.4138 13.5888 13.5888 13.8676 13.8676 14.1472 14.1472 14.4259 14.4259 14.7019 14.7019 14.8176 14.8176 15.2961 15.2961 16.1590 16.1590 16.4221 16.4221 16.8278 16.8278 17.4013 17.4013 17.9920 17.9920 k = 0.3310 0.5078-0.0000 ( 3687 PWs) bands (ev): 2.9509 2.9509 3.5058 3.5058 3.9046 3.9046 6.9691 6.9691 7.9764 7.9764 8.4382 8.4382 8.6712 8.6712 9.1087 9.1087 9.6362 9.6362 9.9461 9.9461 10.3564 10.3564 11.1829 11.1829 11.5454 11.5454 12.2035 12.2035 13.3343 13.3343 13.3888 13.3888 13.5651 13.5651 13.8462 13.8462 14.1621 14.1621 14.4321 14.4321 14.6915 14.6915 14.8167 14.8167 15.2751 15.2751 16.1348 16.1348 16.4848 16.4848 16.7906 16.7906 17.3998 17.3998 17.9536 17.9536 k = 0.3152 0.5078-0.0000 ( 3679 PWs) bands (ev): 2.9226 2.9226 3.4849 3.4849 3.9550 3.9550 7.0087 7.0087 7.9489 7.9489 8.4565 8.4565 8.6571 8.6571 9.0921 9.0921 9.6362 9.6362 9.9792 9.9792 10.3311 10.3311 11.1395 11.1395 11.5768 11.5768 12.2385 12.2385 13.3447 13.3447 13.3881 13.3881 13.5463 13.5463 13.8241 13.8241 14.1775 14.1775 14.4373 14.4373 14.6820 14.6820 14.8180 14.8180 15.2528 15.2528 16.1085 16.1085 16.5482 16.5482 16.7485 16.7485 17.3987 17.3987 17.9152 17.9152 k = 0.2995 0.5078-0.0000 ( 3684 PWs) bands (ev): 2.8948 2.8948 3.4636 3.4636 4.0065 4.0065 7.0491 7.0491 7.9210 7.9210 8.4736 8.4736 8.6429 8.6429 9.0756 9.0756 9.6360 9.6360 10.0138 10.0138 10.3064 10.3064 11.0945 11.0945 11.6093 11.6093 12.2749 12.2749 13.3086 13.3086 13.4280 13.4280 13.5322 13.5322 13.8018 13.8018 14.1928 14.1928 14.4418 14.4418 14.6736 14.6736 14.8208 14.8208 15.2291 15.2291 16.0803 16.0803 16.6117 16.6117 16.7027 16.7027 17.3983 17.3983 17.8778 17.8778 k = 0.2837 0.5078-0.0000 ( 3686 PWs) bands (ev): 2.8677 2.8677 3.4422 3.4422 4.0587 4.0587 7.0900 7.0900 7.8936 7.8936 8.4886 8.4886 8.6294 8.6294 9.0595 9.0595 9.6355 9.6355 10.0493 10.0493 10.2827 10.2827 11.0485 11.0485 11.6426 11.6426 12.3117 12.3117 13.2651 13.2651 13.4695 13.4695 13.5228 13.5228 13.7799 13.7799 14.2077 14.2077 14.4458 14.4458 14.6670 14.6670 14.8248 14.8248 15.2043 15.2043 16.0499 16.0499 16.6529 16.6529 16.6767 16.6767 17.3987 17.3987 17.8418 17.8418 k = 0.2679 0.5078-0.0000 ( 3692 PWs) bands (ev): 2.8416 2.8416 3.4211 3.4211 4.1110 4.1110 7.1305 7.1305 7.8673 7.8673 8.5004 8.5004 8.6179 8.6179 9.0438 9.0438 9.6349 9.6349 10.0856 10.0856 10.2604 10.2604 11.0019 11.0019 11.6766 11.6766 12.3478 12.3478 13.2183 13.2183 13.4988 13.4988 13.5281 13.5281 13.7589 13.7589 14.2215 14.2215 14.4495 14.4495 14.6627 14.6627 14.8297 14.8297 15.1781 15.1781 16.0173 16.0173 16.6044 16.6044 16.7386 16.7386 17.4001 17.4001 17.8081 17.8081 k = 0.2522 0.5078-0.0000 ( 3686 PWs) bands (ev): 2.8165 2.8165 3.4003 3.4003 4.1630 4.1630 7.1698 7.1698 7.8429 7.8429 8.5067 8.5067 8.6105 8.6105 9.0286 9.0286 9.6343 9.6343 10.1222 10.1222 10.2398 10.2398 10.9550 10.9550 11.7113 11.7113 12.3822 12.3822 13.1697 13.1697 13.4991 13.4991 13.5635 13.5635 13.7395 13.7395 14.2338 14.2338 14.4530 14.4530 14.6614 14.6614 14.8351 14.8351 15.1509 15.1509 15.9823 15.9823 16.5554 16.5554 16.8003 16.8003 17.4025 17.4025 17.7772 17.7772 k = 0.2364 0.5078-0.0000 ( 3683 PWs) bands (ev): 2.7926 2.7926 3.3801 3.3801 4.2144 4.2144 7.2068 7.2068 7.8215 7.8215 8.5055 8.5055 8.6091 8.6091 9.0141 9.0141 9.6337 9.6337 10.1588 10.1588 10.2212 10.2212 10.9079 10.9079 11.7466 11.7466 12.4139 12.4139 13.1203 13.1203 13.4943 13.4943 13.6034 13.6034 13.7229 13.7229 14.2442 14.2442 14.4563 14.4563 14.6634 14.6634 14.8409 14.8409 15.1224 15.1224 15.9448 15.9448 16.5077 16.5077 16.8602 16.8602 17.4059 17.4059 17.7498 17.7498 k = 0.2207 0.5078-0.0000 ( 3683 PWs) bands (ev): 2.7699 2.7699 3.3607 3.3607 4.2649 4.2649 7.2402 7.2402 7.8042 7.8042 8.4969 8.4969 8.6137 8.6137 9.0003 9.0003 9.6331 9.6331 10.1948 10.1948 10.2052 10.2052 10.8608 10.8608 11.7826 11.7826 12.4421 12.4421 13.0708 13.0708 13.4896 13.4896 13.6397 13.6397 13.7122 13.7122 14.2524 14.2524 14.4594 14.4594 14.6691 14.6691 14.8469 14.8469 15.0931 15.0931 15.9048 15.9048 16.4625 16.4625 16.9175 16.9175 17.4102 17.4102 17.7266 17.7266 k = 0.2049 0.5078-0.0000 ( 3688 PWs) bands (ev): 2.7486 2.7486 3.3421 3.3421 4.3141 4.3141 7.2686 7.2686 7.7927 7.7927 8.4826 8.4826 8.6224 8.6224 8.9872 8.9872 9.6325 9.6325 10.1904 10.1904 10.2316 10.2316 10.8140 10.8140 11.8192 11.8192 12.4658 12.4658 13.0219 13.0219 13.4852 13.4852 13.6614 13.6614 13.7181 13.7181 14.2584 14.2584 14.4623 14.4623 14.6785 14.6785 14.8528 14.8528 15.0630 15.0630 15.8625 15.8625 16.4205 16.4205 16.9713 16.9713 17.4153 17.4153 17.7086 17.7086 k = 0.1891 0.5078-0.0000 ( 3688 PWs) bands (ev): 2.7287 2.7287 3.3245 3.3245 4.3617 4.3617 7.2906 7.2906 7.7883 7.7883 8.4647 8.4647 8.6331 8.6331 8.9750 8.9750 9.6320 9.6320 10.1789 10.1789 10.2667 10.2667 10.7675 10.7675 11.8564 11.8564 12.4846 12.4846 12.9740 12.9740 13.4813 13.4813 13.6625 13.6625 13.7463 13.7463 14.2623 14.2623 14.4650 14.4650 14.6914 14.6914 14.8585 14.8585 15.0327 15.0327 15.8180 15.8180 16.3821 16.3821 17.0206 17.0206 17.4212 17.4212 17.6967 17.6967 k = 0.1734 0.5078-0.0000 ( 3693 PWs) bands (ev): 2.7102 2.7102 3.3080 3.3080 4.4073 4.4073 7.3052 7.3052 7.7919 7.7919 8.4444 8.4444 8.6445 8.6445 8.9636 8.9636 9.6316 9.6316 10.1701 10.1701 10.3008 10.3008 10.7216 10.7216 11.8941 11.8941 12.4978 12.4978 12.9278 12.9278 13.4778 13.4778 13.6582 13.6582 13.7818 13.7818 14.2646 14.2646 14.4676 14.4676 14.7068 14.7068 14.8641 14.8641 15.0028 15.0028 15.7716 15.7716 16.3476 16.3476 17.0642 17.0642 17.4277 17.4277 17.6917 17.6917 k = 0.1576 0.5078-0.0000 ( 3692 PWs) bands (ev): 2.6933 2.6933 3.2926 3.2926 4.4507 4.4507 7.3122 7.3122 7.8039 7.8039 8.4224 8.4224 8.6559 8.6559 8.9531 8.9531 9.6312 9.6312 10.1641 10.1641 10.3336 10.3336 10.6765 10.6765 11.9322 11.9322 12.5051 12.5051 12.8835 12.8835 13.4748 13.4748 13.6547 13.6547 13.8179 13.8179 14.2660 14.2660 14.4699 14.4699 14.7234 14.7234 14.8695 14.8695 14.9745 14.9745 15.7239 15.7239 16.3169 16.3169 17.1013 17.1013 17.4345 17.4345 17.6945 17.6945 k = 0.1418 0.5078-0.0000 ( 3690 PWs) bands (ev): 2.6778 2.6778 3.2785 3.2785 4.4914 4.4914 7.3125 7.3125 7.8235 7.8235 8.3990 8.3990 8.6668 8.6668 8.9436 8.9436 9.6309 9.6309 10.1610 10.1610 10.3647 10.3647 10.6324 10.6324 11.9706 11.9706 12.5065 12.5065 12.8418 12.8418 13.4720 13.4720 13.6535 13.6535 13.8528 13.8528 14.2671 14.2671 14.4722 14.4722 14.7385 14.7385 14.8748 14.8748 14.9499 14.9499 15.6754 15.6754 16.2901 16.2901 17.1311 17.1311 17.4417 17.4417 17.7054 17.7054 k = 0.1261 0.5078-0.0000 ( 3692 PWs) bands (ev): 2.6639 2.6639 3.2656 3.2656 4.5291 4.5291 7.3075 7.3075 7.8495 7.8495 8.3744 8.3744 8.6770 8.6770 8.9349 8.9349 9.6306 9.6306 10.1608 10.1608 10.3937 10.3937 10.5895 10.5895 12.0093 12.0093 12.5021 12.5021 12.8030 12.8030 13.4696 13.4696 13.6546 13.6546 13.8856 13.8856 14.2687 14.2687 14.4742 14.4742 14.7480 14.7480 14.8807 14.8807 14.9322 14.9322 15.6266 15.6266 16.2669 16.2669 17.1537 17.1537 17.4490 17.4490 17.7239 17.7239 k = 0.1103 0.5078-0.0000 ( 3691 PWs) bands (ev): 2.6516 2.6516 3.2542 3.2542 4.5635 4.5635 7.2989 7.2989 7.8801 7.8801 8.3486 8.3486 8.6863 8.6863 8.9273 8.9273 9.6304 9.6304 10.1635 10.1635 10.4204 10.4204 10.5481 10.5481 12.0482 12.0482 12.4921 12.4921 12.7676 12.7676 13.4675 13.4675 13.6577 13.6577 13.9156 13.9156 14.2714 14.2714 14.4760 14.4760 14.7472 14.7472 14.8873 14.8873 14.9256 14.9256 15.5782 15.5782 16.2470 16.2470 17.1697 17.1697 17.4563 17.4563 17.7490 17.7490 k = 0.0946 0.5078-0.0000 ( 3688 PWs) bands (ev): 2.6409 2.6409 3.2442 3.2442 4.5941 4.5941 7.2884 7.2884 7.9139 7.9139 8.3217 8.3217 8.6946 8.6946 8.9206 8.9206 9.6302 9.6302 10.1690 10.1690 10.4443 10.4443 10.5086 10.5086 12.0870 12.0870 12.4771 12.4771 12.7358 12.7358 13.4657 13.4657 13.6624 13.6624 13.9422 13.9422 14.2761 14.2761 14.4776 14.4776 14.7350 14.7350 14.8929 14.8929 14.9331 14.9331 15.5308 15.5308 16.2302 16.2302 17.1803 17.1803 17.4632 17.4632 17.7788 17.7788 k = 0.0788 0.5078-0.0000 ( 3695 PWs) bands (ev): 2.6318 2.6318 3.2356 3.2356 4.6208 4.6208 7.2774 7.2774 7.9496 7.9496 8.2937 8.2937 8.7018 8.7018 8.9149 8.9149 9.6301 9.6301 10.1771 10.1771 10.4630 10.4630 10.4734 10.4734 12.1258 12.1258 12.4575 12.4575 12.7082 12.7082 13.4641 13.4641 13.6678 13.6678 13.9648 13.9648 14.2828 14.2828 14.4791 14.4791 14.7148 14.7148 14.8960 14.8960 14.9524 14.9524 15.4851 15.4851 16.2164 16.2164 17.1867 17.1867 17.4695 17.4695 17.8111 17.8111 k = 0.0630 0.5078-0.0000 ( 3701 PWs) bands (ev): 2.6243 2.6243 3.2286 3.2286 4.6430 4.6430 7.2671 7.2671 7.9862 7.9862 8.2645 8.2645 8.7078 8.7078 8.9103 8.9103 9.6299 9.6299 10.1876 10.1876 10.4356 10.4356 10.4838 10.4838 12.1642 12.1642 12.4339 12.4339 12.6850 12.6850 13.4629 13.4629 13.6734 13.6734 13.9831 13.9831 14.2915 14.2915 14.4803 14.4803 14.6913 14.6913 14.8981 14.8981 14.9774 14.9774 15.4423 15.4423 16.2053 16.2053 17.1903 17.1903 17.4751 17.4751 17.8435 17.8435 k = 0.0473 0.5078-0.0000 ( 3702 PWs) bands (ev): 2.6185 2.6185 3.2231 3.2231 4.6606 4.6606 7.2582 7.2582 8.0229 8.0229 8.2343 8.2343 8.7125 8.7125 8.9066 8.9066 9.6299 9.6299 10.1996 10.1996 10.4047 10.4047 10.4977 10.4977 12.2023 12.2023 12.4070 12.4070 12.6666 12.6666 13.4619 13.4619 13.6784 13.6784 13.9970 13.9970 14.3013 14.3013 14.4813 14.4813 14.6683 14.6683 14.8997 14.8997 15.0038 15.0038 15.4037 15.4037 16.1969 16.1969 17.1920 17.1920 17.4796 17.4796 17.8732 17.8732 k = 0.0315 0.5078-0.0000 ( 3698 PWs) bands (ev): 2.6143 2.6143 3.2191 3.2191 4.6734 4.6734 7.2514 7.2514 8.0589 8.0589 8.2033 8.2033 8.7159 8.7159 8.9040 8.9040 9.6298 9.6298 10.2120 10.2120 10.3787 10.3787 10.5079 10.5079 12.2396 12.2396 12.3774 12.3774 12.6533 12.6533 13.4612 13.4612 13.6825 13.6825 14.0066 14.0066 14.3107 14.3107 14.4821 14.4821 14.6488 14.6488 14.9008 14.9008 15.0276 15.0276 15.3718 15.3718 16.1909 16.1909 17.1928 17.1928 17.4831 17.4831 17.8975 17.8975 k = 0.0158 0.5078-0.0000 ( 3705 PWs) bands (ev): 2.6118 2.6118 3.2168 3.2168 4.6811 4.6811 7.2471 7.2471 8.0926 8.0926 8.1727 8.1727 8.7180 8.7180 8.9025 8.9025 9.6298 9.6298 10.2221 10.2221 10.3603 10.3603 10.5141 10.5141 12.2761 12.2761 12.3454 12.3454 12.6452 12.6452 13.4607 13.4607 13.6851 13.6851 14.0122 14.0122 14.3176 14.3176 14.4826 14.4826 14.6357 14.6357 14.9015 14.9015 15.0448 15.0448 15.3499 15.3499 16.1873 16.1873 17.1930 17.1930 17.4851 17.4851 17.9135 17.9135 k = 0.0000 0.5078-0.0000 ( 3712 PWs) bands (ev): 2.6110 2.6110 3.2160 3.2160 4.6837 4.6837 7.2457 7.2457 8.1135 8.1135 8.1529 8.1529 8.7187 8.7187 8.9020 8.9020 9.6297 9.6297 10.2263 10.2263 10.3534 10.3534 10.5161 10.5161 12.3114 12.3114 12.3115 12.3115 12.6425 12.6425 13.4605 13.4605 13.6860 13.6860 14.0140 14.0140 14.3201 14.3201 14.4827 14.4827 14.6310 14.6310 14.9018 14.9018 15.0511 15.0511 15.3420 15.3420 16.1861 16.1861 17.1930 17.1930 17.4859 17.4859 17.9191 17.9191 k = 0.0000 0.5078-0.0000 ( 3712 PWs) bands (ev): 2.6110 2.6110 3.2160 3.2160 4.6837 4.6837 7.2457 7.2457 8.1135 8.1135 8.1529 8.1529 8.7187 8.7187 8.9020 8.9020 9.6297 9.6297 10.2263 10.2263 10.3534 10.3534 10.5161 10.5161 12.3114 12.3114 12.3115 12.3115 12.6425 12.6425 13.4605 13.4605 13.6860 13.6860 14.0140 14.0140 14.3201 14.3201 14.4827 14.4827 14.6310 14.6310 14.9018 14.9018 15.0511 15.0511 15.3420 15.3420 16.1861 16.1861 17.1930 17.1930 17.4859 17.4859 17.9191 17.9191 k = 0.0000 0.5078 0.0156 ( 3710 PWs) bands (ev): 2.6121 2.6121 3.2172 3.2172 4.6847 4.6847 7.2461 7.2461 8.0996 8.0996 8.1535 8.1535 8.7084 8.7084 8.9101 8.9101 9.6336 9.6336 10.1944 10.1944 10.3612 10.3612 10.5552 10.5552 12.3076 12.3076 12.3135 12.3135 12.6426 12.6426 13.4538 13.4538 13.6912 13.6912 14.0092 14.0092 14.3171 14.3171 14.4831 14.4831 14.6321 14.6321 14.9032 14.9032 15.0549 15.0549 15.3420 15.3420 16.1779 16.1779 17.1521 17.1521 17.5191 17.5191 17.9431 17.9431 k = 0.0000 0.5078 0.0312 ( 3706 PWs) bands (ev): 2.6156 2.6156 3.2208 3.2208 4.6876 4.6876 7.2474 7.2474 8.0599 8.0599 8.1554 8.1554 8.6787 8.6787 8.9327 8.9327 9.6417 9.6417 10.1313 10.1313 10.3843 10.3843 10.6425 10.6425 12.2966 12.2966 12.3188 12.3188 12.6427 12.6427 13.4350 13.4350 13.7054 13.7054 13.9949 13.9949 14.3083 14.3083 14.4843 14.4843 14.6356 14.6356 14.9072 14.9072 15.0662 15.0662 15.3420 15.3420 16.1543 16.1543 17.0608 17.0608 17.5912 17.5912 18.0104 18.0104 k = 0.0000 0.5078 0.0467 ( 3702 PWs) bands (ev): 2.6213 2.6213 3.2268 3.2268 4.6923 4.6923 7.2493 7.2493 7.9992 7.9992 8.1585 8.1585 8.6328 8.6328 8.9655 8.9655 9.6428 9.6428 10.0753 10.0753 10.4223 10.4223 10.7478 10.7478 12.2781 12.2781 12.3279 12.3279 12.6433 12.6433 13.4072 13.4072 13.7257 13.7257 13.9711 13.9711 14.2947 14.2947 14.4864 14.4864 14.6413 14.6413 14.9132 14.9132 15.0845 15.0845 15.3419 15.3419 16.1178 16.1178 16.9512 16.9512 17.6778 17.6778 18.1021 18.1021 k = 0.0000 0.5078 0.0623 ( 3696 PWs) bands (ev): 2.6293 2.6293 3.2353 3.2353 4.6990 4.6990 7.2518 7.2518 7.9226 7.9226 8.1624 8.1624 8.5746 8.5746 9.0039 9.0039 9.6219 9.6219 10.0485 10.0485 10.4744 10.4744 10.8602 10.8602 12.2521 12.2521 12.3407 12.3407 12.6445 12.6445 13.3728 13.3728 13.7495 13.7495 13.9378 13.9378 14.2774 14.2774 14.4895 14.4895 14.6491 14.6491 14.9205 14.9205 15.1092 15.1092 15.3419 15.3419 16.0717 16.0717 16.8357 16.8357 17.7741 17.7741 18.0827 18.0827 k = 0.0000 0.5078 0.0779 ( 3694 PWs) bands (ev): 2.6395 2.6395 3.2461 3.2461 4.7076 4.7076 7.2544 7.2544 7.8345 7.8345 8.1669 8.1669 8.5077 8.5077 9.0446 9.0446 9.5721 9.5721 10.0587 10.0587 10.5396 10.5396 10.9757 10.9757 12.2186 12.2186 12.3574 12.3574 12.6465 12.6465 13.3335 13.3335 13.7752 13.7752 13.8957 13.8957 14.2572 14.2572 14.4936 14.4936 14.6589 14.6589 14.9289 14.9289 15.1391 15.1391 15.3419 15.3419 16.0195 16.0195 16.7193 16.7193 17.8791 17.8791 18.0418 18.0418 k = 0.0000 0.5078 0.0935 ( 3686 PWs) bands (ev): 2.6521 2.6521 3.2594 3.2594 4.7181 4.7181 7.2566 7.2566 7.7381 7.7381 8.1716 8.1716 8.4353 8.4353 9.0856 9.0856 9.5008 9.5008 10.0980 10.0980 10.6167 10.6167 11.0922 11.0922 12.1778 12.1778 12.3784 12.3784 12.6497 12.6497 13.2902 13.2902 13.8004 13.8004 13.8467 13.8467 14.2348 14.2348 14.4990 14.4990 14.6706 14.6706 14.9383 14.9383 15.1727 15.1727 15.3418 15.3418 15.9638 15.9638 16.6046 16.6046 17.9780 17.9780 18.0038 18.0038 k = 0.0000 0.5078 0.1090 ( 3690 PWs) bands (ev): 2.6669 2.6669 3.2750 3.2750 4.7304 4.7304 7.2579 7.2579 7.6359 7.6359 8.1756 8.1756 8.3603 8.3603 9.1256 9.1256 9.4191 9.4191 10.1549 10.1549 10.7042 10.7042 11.2081 11.2081 12.1300 12.1300 12.4038 12.4038 12.6538 12.6538 13.2436 13.2436 13.7815 13.7815 13.8347 13.8347 14.2106 14.2106 14.5057 14.5057 14.6842 14.6842 14.9486 14.9486 15.2087 15.2087 15.3418 15.3418 15.9068 15.9068 16.4932 16.4932 17.9294 17.9294 18.1138 18.1138 k = 0.0000 0.5078 0.1246 ( 3686 PWs) bands (ev): 2.6840 2.6840 3.2930 3.2930 4.7445 4.7445 7.2572 7.2572 7.5296 7.5296 8.1776 8.1776 8.2856 8.2856 9.1642 9.1642 9.3343 9.3343 10.2219 10.2219 10.8008 10.8008 11.3222 11.3222 12.0758 12.0758 12.4342 12.4342 12.6587 12.6587 13.1940 13.1940 13.7174 13.7174 13.8616 13.8616 14.1848 14.1848 14.5138 14.5138 14.6998 14.6998 14.9600 14.9600 15.2456 15.2456 15.3419 15.3419 15.8502 15.8502 16.3864 16.3864 17.8706 17.8706 18.2343 18.2343 k = 0.0000 0.5078 0.1402 ( 3690 PWs) bands (ev): 2.7033 2.7033 3.3134 3.3134 4.7604 4.7604 7.2532 7.2532 7.4205 7.4205 8.1720 8.1720 8.2180 8.2180 9.2015 9.2015 9.2512 9.2512 10.2948 10.2948 10.9050 10.9050 11.4335 11.4335 12.0156 12.0156 12.4699 12.4699 12.6642 12.6642 13.1417 13.1417 13.6459 13.6459 13.8902 13.8902 14.1573 14.1573 14.5236 14.5236 14.7172 14.7172 14.9724 14.9724 15.2815 15.2815 15.3424 15.3424 15.7950 15.7950 16.2855 16.2855 17.8128 17.8128 18.2567 18.2567 k = 0.0000 0.5078 0.1558 ( 3690 PWs) bands (ev): 2.7249 2.7249 3.3362 3.3362 4.7781 4.7781 7.2444 7.2444 7.3096 7.3096 8.1296 8.1296 8.1877 8.1877 9.1731 9.1731 9.2377 9.2377 10.3710 10.3710 11.0153 11.0153 11.5408 11.5408 11.9503 11.9503 12.5116 12.5116 12.6698 12.6698 13.0871 13.0871 13.5692 13.5692 13.9193 13.9193 14.1284 14.1284 14.5351 14.5351 14.7364 14.7364 14.9858 14.9858 15.3133 15.3133 15.3450 15.3450 15.7420 15.7420 16.1919 16.1919 17.7575 17.7575 18.2633 18.2633 k = 0.0000 0.5078 0.1714 ( 3690 PWs) bands (ev): 2.7488 2.7488 3.3613 3.3613 4.7975 4.7975 7.1965 7.1965 7.2300 7.2300 8.0692 8.0692 8.1766 8.1766 9.1029 9.1029 9.2728 9.2728 10.4491 10.4491 11.1304 11.1304 11.6429 11.6429 11.8808 11.8808 12.5596 12.5596 12.6747 12.6747 13.0304 13.0304 13.4887 13.4887 13.9485 13.9485 14.0984 14.0984 14.5488 14.5488 14.7575 14.7575 14.9999 14.9999 15.3310 15.3310 15.3572 15.3572 15.6914 15.6914 16.1077 16.1077 17.7056 17.7056 18.2717 18.2717 k = 0.0000 0.5078 0.1869 ( 3680 PWs) bands (ev): 2.7749 2.7749 3.3887 3.3887 4.8185 4.8185 7.0842 7.0842 7.2055 7.2055 8.0148 8.0148 8.1615 8.1615 9.0432 9.0432 9.3074 9.3074 10.5281 10.5281 11.2484 11.2484 11.7386 11.7386 11.8085 11.8085 12.6144 12.6144 12.6779 12.6779 12.9721 12.9721 13.4062 13.4062 13.9772 13.9772 14.0678 14.0678 14.5650 14.5650 14.7803 14.7803 15.0146 15.0146 15.3346 15.3346 15.3766 15.3766 15.6434 15.6434 16.0357 16.0357 17.6577 17.6577 18.2819 18.2819 k = 0.0000 0.5078 0.2025 ( 3682 PWs) bands (ev): 2.8032 2.8032 3.4185 3.4185 4.8411 4.8411 6.9715 6.9715 7.1709 7.1709 7.9699 7.9699 8.1390 8.1390 8.9961 8.9961 9.3416 9.3416 10.6072 10.6072 11.3662 11.3662 11.7346 11.7346 11.8285 11.8285 12.6732 12.6732 12.6804 12.6804 12.9126 12.9126 13.3237 13.3237 14.0026 14.0026 14.0394 14.0394 14.5838 14.5838 14.8048 14.8048 15.0294 15.0294 15.3350 15.3350 15.3884 15.3884 15.5979 15.5979 15.9797 15.9797 17.6139 17.6139 18.2937 18.2937 k = 0.0000 0.5078 0.2181 ( 3684 PWs) bands (ev): 2.8337 2.8337 3.4505 3.4505 4.8652 4.8652 6.8592 6.8592 7.1249 7.1249 7.9352 7.9352 8.1087 8.1087 8.9632 8.9632 9.3757 9.3757 10.6860 10.6860 11.4722 11.4722 11.6729 11.6729 11.9095 11.9095 12.6707 12.6707 12.7443 12.7443 12.8529 12.8529 13.2443 13.2443 13.9959 13.9959 14.0420 14.0420 14.6058 14.6058 14.8310 14.8310 15.0437 15.0437 15.3346 15.3346 15.3871 15.3871 15.5545 15.5545 15.9434 15.9434 17.5744 17.5744 18.3069 18.3069 k = 0.0000 0.5078 0.2337 ( 3684 PWs) bands (ev): 2.8665 2.8665 3.4848 3.4848 4.8906 4.8906 6.7478 6.7478 7.0674 7.0674 7.9083 7.9083 8.0729 8.0729 8.9448 8.9448 9.4097 9.4097 10.7640 10.7640 11.5036 11.5036 11.6843 11.6843 11.9827 11.9827 12.6544 12.6544 12.7860 12.7860 12.8254 12.8254 13.1722 13.1722 13.9650 13.9650 14.0674 14.0674 14.6316 14.6316 14.8588 14.8588 15.0566 15.0566 15.3337 15.3337 15.3712 15.3712 15.5134 15.5134 15.9287 15.9287 17.5396 17.5396 18.3215 18.3215 k = 0.0000 0.5078 0.2492 ( 3686 PWs) bands (ev): 2.9014 2.9014 3.5213 3.5213 4.9172 4.9172 6.6377 6.6377 6.9998 6.9998 7.8826 7.8826 8.0381 8.0381 8.9403 8.9403 9.4438 9.4438 10.8407 10.8407 11.4435 11.4435 11.7858 11.7858 12.0478 12.0478 12.6235 12.6235 12.7301 12.7301 12.9016 12.9016 13.1126 13.1126 13.9320 13.9320 14.0934 14.0934 14.6617 14.6617 14.8879 14.8879 15.0668 15.0668 15.3308 15.3308 15.3451 15.3451 15.4744 15.4744 15.9340 15.9340 17.5094 17.5094 18.3375 18.3375 k = 0.0000 0.5078 0.2648 ( 3676 PWs) bands (ev): 2.9385 2.9385 3.5600 3.5600 4.9447 4.9447 6.5293 6.5293 6.9237 6.9237 7.8471 7.8471 8.0154 8.0154 8.9481 8.9481 9.4779 9.4779 10.9158 10.9158 11.3627 11.3627 11.9063 11.9063 12.1045 12.1045 12.5745 12.5745 12.6731 12.6731 12.9847 12.9847 13.0697 13.0697 13.8986 13.8986 14.1183 14.1183 14.6968 14.6968 14.9184 14.9184 15.0717 15.0717 15.3061 15.3061 15.3348 15.3348 15.4376 15.4376 15.9554 15.9554 17.4839 17.4839 18.3545 18.3546 k = 0.0000 0.5078 0.2804 ( 3674 PWs) bands (ev): 2.9777 2.9777 3.6009 3.6009 4.9728 4.9728 6.4231 6.4231 6.8408 6.8408 7.7949 7.7949 8.0118 8.0118 8.9666 8.9666 9.5121 9.5121 10.9889 10.9889 11.2768 11.2768 12.0294 12.0294 12.1521 12.1521 12.5072 12.5072 12.6200 12.6200 13.0426 13.0426 13.0715 13.0715 13.8651 13.8651 14.1412 14.1412 14.7370 14.7370 14.9499 14.9499 15.0674 15.0674 15.2747 15.2747 15.3335 15.3335 15.4033 15.4033 15.9886 15.9886 17.4634 17.4634 18.3721 18.3722 k = 0.0000 0.5078 0.2960 ( 3676 PWs) bands (ev): 3.0191 3.0191 3.6439 3.6439 5.0012 5.0012 6.3197 6.3197 6.7528 6.7528 7.7290 7.7290 8.0245 8.0245 8.9941 8.9941 9.5461 9.5461 11.0594 11.0594 11.1892 11.1892 12.1508 12.1508 12.1885 12.1885 12.4257 12.4257 12.5746 12.5746 13.0317 13.0317 13.1572 13.1572 13.8319 13.8319 14.1617 14.1617 14.7826 14.7826 14.9811 14.9811 15.0510 15.0510 15.2531 15.2531 15.3320 15.3320 15.3721 15.3721 16.0303 16.0303 17.4478 17.4478 18.3341 18.3342 k = 0.0000 0.5078 0.3116 ( 3676 PWs) bands (ev): 3.0626 3.0626 3.6889 3.6889 5.0292 5.0292 6.2198 6.2198 6.6612 6.6612 7.6548 7.6548 8.0485 8.0485 9.0292 9.0292 9.5798 9.5798 11.1011 11.1011 11.1268 11.1268 12.2103 12.2103 12.2585 12.2585 12.3441 12.3441 12.5422 12.5422 13.0308 13.0308 13.2424 13.2424 13.7991 13.7991 14.1796 14.1796 14.8327 14.8327 14.9980 14.9980 15.0369 15.0369 15.2442 15.2443 15.3240 15.3240 15.3503 15.3503 16.0785 16.0785 17.4373 17.4373 18.2713 18.2713 k = 0.0000 0.5078 0.3271 ( 3674 PWs) bands (ev): 3.1082 3.1082 3.7359 3.7359 5.0560 5.0560 6.1245 6.1245 6.5669 6.5669 7.5756 7.5756 8.0803 8.0803 9.0707 9.0707 9.6126 9.6126 11.0144 11.0144 11.1896 11.1896 12.2110 12.2110 12.2204 12.2204 12.3997 12.3997 12.5280 12.5280 13.0369 13.0369 13.3254 13.3254 13.7669 13.7669 14.1948 14.1948 14.8837 14.8837 14.9704 14.9704 15.0632 15.0632 15.2448 15.2448 15.3013 15.3013 15.3471 15.3471 16.1320 16.1320 17.4321 17.4321 18.2117 18.2117 k = 0.0000 0.5078 0.3427 ( 3680 PWs) bands (ev): 3.1559 3.1559 3.7847 3.7847 5.0803 5.0803 6.0351 6.0351 6.4708 6.4708 7.4935 7.4935 8.1183 8.1183 9.1178 9.1178 9.6439 9.6439 10.9295 10.9295 11.2469 11.2469 12.1130 12.1130 12.2017 12.2017 12.5065 12.5065 12.5336 12.5336 13.0479 13.0479 13.4049 13.4049 13.7357 13.7357 14.2073 14.2073 14.9026 14.9026 14.9633 14.9633 15.1010 15.1010 15.2493 15.2493 15.2762 15.2762 15.3531 15.3531 16.1900 16.1900 17.4324 17.4324 18.1559 18.1559 k = 0.0000 0.5078 0.3583 ( 3678 PWs) bands (ev): 3.2056 3.2056 3.8354 3.8354 5.1005 5.1005 5.9535 5.9535 6.3736 6.3736 7.4098 7.4098 8.1611 8.1611 9.1699 9.1699 9.6730 9.6730 10.8477 10.8477 11.2968 11.2968 12.0033 12.0033 12.1786 12.1786 12.5516 12.5516 12.6106 12.6106 13.0627 13.0627 13.4800 13.4800 13.7059 13.7059 14.2172 14.2172 14.8651 14.8651 15.0092 15.0092 15.1422 15.1422 15.2425 15.2425 15.2661 15.2661 15.3672 15.3672 16.2524 16.2524 17.4382 17.4382 18.1043 18.1043 k = 0.0000 0.5078 0.3739 ( 3680 PWs) bands (ev): 3.2574 3.2574 3.8876 3.8876 5.1142 5.1142 5.8822 5.8822 6.2759 6.2759 7.3252 7.3252 8.2082 8.2082 9.2264 9.2264 9.6987 9.6987 10.7707 10.7707 11.3372 11.3372 11.8910 11.8910 12.1540 12.1540 12.5802 12.5802 12.7035 12.7035 13.0812 13.0812 13.5494 13.5494 13.6783 13.6783 14.2247 14.2247 14.8215 14.8215 15.0565 15.0565 15.1808 15.1808 15.2231 15.2231 15.2738 15.2738 15.3952 15.3952 16.3189 16.3189 17.4497 17.4497 18.0571 18.0571 k = 0.0000 0.5078 0.3894 ( 3680 PWs) bands (ev): 3.3110 3.3110 3.9412 3.9412 5.1185 5.1185 5.8245 5.8245 6.1779 6.1779 7.2404 7.2404 8.2589 8.2589 9.2869 9.2869 9.7192 9.7192 10.7002 10.7002 11.3653 11.3653 11.7773 11.7773 12.1349 12.1349 12.6134 12.6134 12.7834 12.7834 13.1040 13.1040 13.6083 13.6083 13.6580 13.6580 14.2302 14.2302 14.7798 14.7798 15.0965 15.0965 15.1903 15.1903 15.2258 15.2258 15.2835 15.2835 15.4455 15.4455 16.3897 16.3897 17.4672 17.4672 18.0144 18.0144 k = 0.0000 0.5078 0.4050 ( 3682 PWs) bands (ev): 3.3666 3.3666 3.9959 3.9959 5.1104 5.1104 5.7835 5.7835 6.0802 6.0802 7.1557 7.1557 8.3129 8.3129 9.3512 9.3512 9.7326 9.7326 10.6385 10.6385 11.3789 11.3789 11.6629 11.6629 12.1262 12.1262 12.6493 12.6493 12.8464 12.8464 13.1323 13.1323 13.6181 13.6181 13.6837 13.6837 14.2342 14.2342 14.7414 14.7414 15.1262 15.1262 15.1778 15.1778 15.2442 15.2442 15.2930 15.2930 15.5207 15.5207 16.4651 16.4651 17.4907 17.4907 17.9764 17.9764 k = 0.0000 0.5078 0.4206 ( 3682 PWs) bands (ev): 3.4241 3.4241 4.0512 4.0512 5.0885 5.0885 5.7613 5.7613 5.9830 5.9830 7.0715 7.0715 8.3698 8.3698 9.4190 9.4190 9.7364 9.7364 10.5882 10.5882 11.3766 11.3766 11.5485 11.5485 12.1307 12.1307 12.6866 12.6866 12.8901 12.8901 13.1657 13.1657 13.6017 13.6017 13.7335 13.7335 14.2374 14.2374 14.7071 14.7071 15.1352 15.1352 15.1807 15.1807 15.2559 15.2559 15.3015 15.3015 15.6161 15.6161 16.5452 16.5452 17.5203 17.5203 17.9432 17.9432 k = 0.0000 0.5078 0.4362 ( 3676 PWs) bands (ev): 3.4833 3.4833 4.1066 4.1066 5.0534 5.0534 5.7577 5.7577 5.8865 5.8865 6.9880 6.9880 8.4295 8.4295 9.4901 9.4901 9.7284 9.7284 10.5517 10.5517 11.3590 11.3590 11.4344 11.4344 12.1486 12.1486 12.7246 12.7246 12.9151 12.9151 13.2006 13.2006 13.5890 13.5890 13.7791 13.7791 14.2407 14.2407 14.6766 14.6766 15.1268 15.1268 15.1993 15.1993 15.2624 15.2624 15.3091 15.3091 15.7258 15.7258 16.6301 16.6301 17.5561 17.5561 17.9147 17.9147 k = 0.0000 0.5078 0.4518 ( 3678 PWs) bands (ev): 3.5443 3.5443 4.1609 4.1609 5.0087 5.0087 5.7702 5.7702 5.7911 5.7911 6.9054 6.9054 8.4918 8.4918 9.5643 9.5643 9.7070 9.7070 10.5307 10.5307 11.3196 11.3196 11.3296 11.3296 12.1784 12.1784 12.7628 12.7628 12.9244 12.9244 13.2305 13.2305 13.5840 13.5840 13.8178 13.8178 14.2451 14.2451 14.6495 14.6495 15.1171 15.1171 15.2189 15.2189 15.2658 15.2658 15.3156 15.3156 15.8457 15.8457 16.7202 16.7202 17.5982 17.5982 17.8911 17.8911 k = 0.0000 0.5078 0.4673 ( 3682 PWs) bands (ev): 3.6069 3.6069 4.2125 4.2125 4.9593 4.9593 5.6967 5.6967 5.7958 5.7958 6.8238 6.8238 8.5564 8.5564 9.6413 9.6413 9.6723 9.6723 10.5253 10.5253 11.2081 11.2081 11.2877 11.2877 12.2175 12.2175 12.8011 12.8011 12.9215 12.9215 13.2500 13.2500 13.5894 13.5894 13.8485 13.8485 14.2517 14.2517 14.6251 14.6251 15.1105 15.1105 15.2353 15.2353 15.2680 15.2680 15.3211 15.3211 15.9734 15.9734 16.8153 16.8153 17.6464 17.6464 17.8721 17.8721 k = 0.0000 0.5078 0.4829 ( 3682 PWs) bands (ev): 3.6710 3.6710 4.2587 4.2587 4.9108 4.9108 5.6039 5.6039 5.8312 5.8312 6.7434 6.7434 8.6231 8.6231 9.6252 9.6252 9.7216 9.7216 10.5341 10.5341 11.0970 11.0970 11.2393 11.2393 12.2635 12.2635 12.8389 12.8389 12.9090 12.9090 13.2563 13.2563 13.6054 13.6054 13.8706 13.8706 14.2618 14.2618 14.6022 14.6022 15.1082 15.1082 15.2460 15.2460 15.2715 15.2715 15.3253 15.3253 16.1073 16.1073 16.9152 16.9152 17.7006 17.7006 17.8578 17.8578 k = 0.0000 0.5078 0.4985 ( 3686 PWs) bands (ev): 3.7365 3.7365 4.2952 4.2952 4.8699 4.8699 5.5127 5.5127 5.8743 5.8743 6.6644 6.6644 8.6919 8.6919 9.5686 9.5686 9.8044 9.8044 10.5548 10.5548 10.9874 10.9874 11.1858 11.1858 12.3141 12.3141 12.8726 12.8726 12.8922 12.8922 13.2505 13.2505 13.6297 13.6297 13.8837 13.8837 14.2759 14.2759 14.5798 14.5798 15.1105 15.1105 15.2484 15.2484 15.2790 15.2790 15.3284 15.3284 16.2463 16.2463 17.0192 17.0192 17.7600 17.7600 17.8476 17.8476 k = 0.0000 0.5078 0.5141 ( 3686 PWs) bands (ev): 3.8031 3.8031 4.3161 4.3161 4.8442 4.8442 5.4234 5.4234 5.9232 5.9232 6.5868 6.5868 8.7625 8.7625 9.5046 9.5046 9.8898 9.8898 10.5843 10.5843 10.8802 10.8802 11.1291 11.1291 12.3677 12.3677 12.8571 12.8571 12.9171 12.9171 13.2356 13.2356 13.6592 13.6592 13.8880 13.8880 14.2943 14.2943 14.5570 14.5570 15.1171 15.1171 15.2449 15.2449 15.2885 15.2885 15.3303 15.3303 16.3894 16.3894 17.1256 17.1256 17.8191 17.8191 17.8432 17.8432 k = 0.0000 0.5078 0.5296 ( 3688 PWs) bands (ev): 3.8705 3.8705 4.3157 4.3157 4.8404 4.8404 5.3364 5.3364 5.9768 5.9768 6.5108 6.5108 8.8347 8.8347 9.4354 9.4354 9.9778 9.9778 10.6182 10.6182 10.7780 10.7780 11.0704 11.0704 12.4230 12.4230 12.8235 12.8235 12.9537 12.9537 13.2142 13.2142 13.6910 13.6910 13.8843 13.8843 14.3165 14.3165 14.5331 14.5331 15.1275 15.1275 15.2379 15.2379 15.2976 15.2976 15.3310 15.3310 16.5359 16.5359 17.2301 17.2301 17.8048 17.8048 17.8891 17.8891 k = 0.0000 0.5078 0.5452 ( 3692 PWs) bands (ev): 3.9385 3.9385 4.2930 4.2930 4.8605 4.8605 5.2520 5.2520 6.0343 6.0343 6.4365 6.4365 8.9084 8.9084 9.3628 9.3628 10.0683 10.0683 10.6274 10.6274 10.7080 10.7080 11.0109 11.0109 12.4788 12.4788 12.7842 12.7842 12.9901 12.9901 13.1883 13.1883 13.7232 13.7232 13.8737 13.8737 14.3416 14.3416 14.5080 14.5080 15.1408 15.1408 15.2283 15.2283 15.3056 15.3056 15.3305 15.3305 16.6848 16.6848 17.3189 17.3189 17.7163 17.7163 17.8775 17.8775 k = 0.0000 0.5078 0.5608 ( 3694 PWs) bands (ev): 4.0063 4.0063 4.2521 4.2521 4.9009 4.9009 5.1707 5.1707 6.0951 6.0951 6.3639 6.3639 8.9833 8.9833 9.2879 9.2879 10.1610 10.1610 10.5487 10.5487 10.7325 10.7325 10.9514 10.9514 12.5344 12.5344 12.7403 12.7403 13.0261 13.0261 13.1594 13.1594 13.7546 13.7546 13.8574 13.8574 14.3688 14.3688 14.4816 14.4816 15.1560 15.1560 15.2166 15.2166 15.3125 15.3125 15.3290 15.3290 16.8353 16.8353 17.3461 17.3461 17.6520 17.6520 17.8398 17.8398 k = 0.0000 0.5078 0.5764 ( 3688 PWs) bands (ev): 4.0733 4.0733 4.1988 4.1988 4.9560 4.9560 5.0934 5.0934 6.1587 6.1587 6.2934 6.2934 9.0591 9.0591 9.2119 9.2119 10.2560 10.2560 10.4511 10.4511 10.7814 10.7814 10.8927 10.8927 12.5891 12.5891 12.6927 12.6927 13.0612 13.0612 13.1282 13.1282 13.7845 13.7845 13.8366 13.8366 14.3971 14.3971 14.4540 14.4540 15.1720 15.1720 15.2029 15.2029 15.3182 15.3182 15.3265 15.3265 16.9857 16.9857 17.2656 17.2656 17.6806 17.6806 17.7961 17.7961 k = 0.0000 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.1382 4.1382 4.1382 4.1382 5.0212 5.0212 5.0212 5.0212 6.2249 6.2249 6.2249 6.2249 9.1354 9.1354 9.1354 9.1354 10.3528 10.3528 10.3528 10.3528 10.8357 10.8357 10.8357 10.8357 12.6421 12.6421 12.6421 12.6421 13.0954 13.0954 13.0954 13.0954 13.8120 13.8120 13.8120 13.8120 14.4257 14.4257 14.4257 14.4257 15.1879 15.1879 15.1879 15.1879 15.3229 15.3229 15.3229 15.3229 17.1326 17.1326 17.1326 17.1326 17.7421 17.7421 17.7421 17.7421 k = 0.0000 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.1382 4.1382 4.1382 4.1382 5.0212 5.0212 5.0212 5.0212 6.2249 6.2249 6.2249 6.2249 9.1354 9.1354 9.1354 9.1354 10.3528 10.3528 10.3528 10.3528 10.8357 10.8357 10.8357 10.8357 12.6421 12.6421 12.6421 12.6421 13.0954 13.0954 13.0954 13.0954 13.8120 13.8120 13.8120 13.8120 14.4257 14.4257 14.4257 14.4257 15.1879 15.1879 15.1879 15.1879 15.3229 15.3229 15.3229 15.3229 17.1326 17.1326 17.1326 17.1326 17.7421 17.7421 17.7421 17.7421 k = 0.0158 0.5078 0.5920 ( 3682 PWs) bands (ev): 4.1387 4.1387 4.1389 4.1389 5.0215 5.0215 5.0221 5.0221 6.2226 6.2226 6.2231 6.2231 9.1369 9.1369 9.1371 9.1371 10.3425 10.3425 10.3430 10.3430 10.8460 10.8460 10.8465 10.8465 12.6396 12.6396 12.6414 12.6414 13.0947 13.0947 13.0954 13.0954 13.8100 13.8100 13.8113 13.8113 14.4263 14.4263 14.4288 14.4288 15.1882 15.1882 15.1885 15.1885 15.3230 15.3230 15.3235 15.3235 17.1313 17.1313 17.1325 17.1325 17.7396 17.7396 17.7409 17.7409 k = 0.0315 0.5078 0.5920 ( 3682 PWs) bands (ev): 4.1406 4.1406 4.1409 4.1409 5.0232 5.0232 5.0243 5.0243 6.2162 6.2162 6.2171 6.2171 9.1415 9.1415 9.1420 9.1420 10.3147 10.3147 10.3156 10.3156 10.8751 10.8751 10.8758 10.8758 12.6341 12.6341 12.6375 12.6375 13.0934 13.0934 13.0949 13.0949 13.8053 13.8053 13.8078 13.8078 14.4304 14.4304 14.4353 14.4353 15.1892 15.1892 15.1899 15.1899 15.3239 15.3239 15.3248 15.3248 17.1286 17.1286 17.1310 17.1310 17.7334 17.7334 17.7359 17.7359 k = 0.0473 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.1438 4.1438 4.1443 4.1443 5.0262 5.0262 5.0278 5.0278 6.2058 6.2058 6.2072 6.2072 9.1490 9.1490 9.1498 9.1498 10.2745 10.2745 10.2757 10.2757 10.9178 10.9178 10.9187 10.9187 12.6254 12.6254 12.6305 12.6305 13.0917 13.0917 13.0938 13.0938 13.7983 13.7983 13.8019 13.8019 14.4378 14.4378 14.4450 14.4450 15.1910 15.1910 15.1921 15.1921 15.3256 15.3256 15.3271 15.3271 17.1245 17.1245 17.1281 17.1281 17.7239 17.7239 17.7272 17.7272 k = 0.0630 0.5078 0.5920 ( 3688 PWs) bands (ev): 4.1483 4.1483 4.1490 4.1490 5.0304 5.0304 5.0326 5.0326 6.1915 6.1915 6.1933 6.1933 9.1592 9.1592 9.1602 9.1602 10.2269 10.2269 10.2282 10.2282 10.9694 10.9694 10.9704 10.9704 12.6137 12.6137 12.6203 12.6203 13.0895 13.0895 13.0922 13.0922 13.7892 13.7892 13.7937 13.7937 14.4481 14.4481 14.4572 14.4572 15.1934 15.1934 15.1949 15.1949 15.3282 15.3282 15.3303 15.3303 17.1192 17.1192 17.1239 17.1239 17.7113 17.7113 17.7152 17.7152 k = 0.0788 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.1541 4.1541 4.1549 4.1549 5.0359 5.0359 5.0386 5.0386 6.1735 6.1735 6.1758 6.1758 9.1716 9.1716 9.1728 9.1728 10.1755 10.1755 10.1770 10.1770 11.0263 11.0263 11.0273 11.0273 12.5991 12.5991 12.6071 12.6071 13.0870 13.0870 13.0903 13.0903 13.7787 13.7787 13.7838 13.7838 14.4606 14.4606 14.4715 14.4715 15.1963 15.1963 15.1983 15.1983 15.3320 15.3320 15.3346 15.3346 17.1129 17.1129 17.1186 17.1186 17.6959 17.6959 17.7000 17.7000 k = 0.0946 0.5078 0.5920 ( 3678 PWs) bands (ev): 4.1612 4.1612 4.1621 4.1621 5.0426 5.0426 5.0459 5.0459 6.1520 6.1520 6.1548 6.1548 9.1855 9.1855 9.1869 9.1869 10.1231 10.1231 10.1246 10.1246 11.0863 11.0863 11.0873 11.0873 12.5817 12.5817 12.5910 12.5910 13.0843 13.0843 13.0881 13.0881 13.7670 13.7670 13.7725 13.7725 14.4747 14.4747 14.4870 14.4870 15.1995 15.1995 15.2020 15.2020 15.3371 15.3371 15.3403 15.3403 17.1056 17.1056 17.1124 17.1124 17.6780 17.6780 17.6820 17.6820 k = 0.1103 0.5078 0.5920 ( 3678 PWs) bands (ev): 4.1695 4.1695 4.1705 4.1705 5.0504 5.0504 5.0543 5.0543 6.1273 6.1273 6.1305 6.1305 9.2001 9.2001 9.2017 9.2017 10.0714 10.0714 10.0730 10.0730 11.1480 11.1480 11.1489 11.1489 12.5617 12.5617 12.5721 12.5721 13.0816 13.0816 13.0858 13.0858 13.7545 13.7545 13.7603 13.7603 14.4897 14.4897 14.5031 14.5031 15.2030 15.2030 15.2059 15.2059 15.3435 15.3435 15.3473 15.3473 17.0975 17.0975 17.1053 17.1053 17.6580 17.6580 17.6616 17.6616 k = 0.1261 0.5078 0.5920 ( 3682 PWs) bands (ev): 4.1790 4.1790 4.1802 4.1802 5.0594 5.0594 5.0639 5.0639 6.0996 6.0996 6.1033 6.1033 9.2144 9.2144 9.2162 9.2162 10.0222 10.0222 10.0238 10.0238 11.2103 11.2103 11.2112 11.2112 12.5393 12.5393 12.5507 12.5507 13.0789 13.0789 13.0835 13.0835 13.7415 13.7415 13.7474 13.7474 14.5048 14.5048 14.5191 14.5191 15.2067 15.2067 15.2100 15.2100 15.3515 15.3515 15.3557 15.3557 17.0888 17.0888 17.0975 17.0975 17.6361 17.6361 17.6391 17.6391 k = 0.1418 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.1896 4.1896 4.1910 4.1910 5.0694 5.0694 5.0745 5.0745 6.0692 6.0692 6.0735 6.0735 9.2272 9.2272 9.2292 9.2292 9.9771 9.9771 9.9787 9.9787 11.2725 11.2725 11.2732 11.2732 12.5149 12.5149 12.5271 12.5271 13.0764 13.0764 13.0812 13.0812 13.7285 13.7285 13.7343 13.7343 14.5195 14.5195 14.5343 14.5343 15.2107 15.2107 15.2142 15.2142 15.3610 15.3610 15.3655 15.3655 17.0798 17.0798 17.0893 17.0893 17.6126 17.6126 17.6147 17.6147 k = 0.1576 0.5078 0.5920 ( 3680 PWs) bands (ev): 4.2014 4.2014 4.2029 4.2029 5.0805 5.0805 5.0862 5.0862 6.0365 6.0365 6.0413 6.0413 9.2369 9.2369 9.2391 9.2391 9.9378 9.9378 9.9393 9.9393 11.3341 11.3341 11.3346 11.3346 12.4889 12.4889 12.5016 12.5016 13.0742 13.0742 13.0791 13.0791 13.7156 13.7156 13.7212 13.7212 14.5331 14.5331 14.5482 14.5482 15.2153 15.2153 15.2187 15.2187 15.3721 15.3721 15.3767 15.3767 17.0707 17.0707 17.0809 17.0809 17.5877 17.5877 17.5888 17.5888 k = 0.1734 0.5078 0.5920 ( 3680 PWs) bands (ev): 4.2143 4.2143 4.2159 4.2159 5.0924 5.0924 5.0988 5.0988 6.0018 6.0018 6.0071 6.0071 9.2421 9.2421 9.2443 9.2443 9.9057 9.9057 9.9071 9.9071 11.3943 11.3943 11.3947 11.3947 12.4615 12.4615 12.4746 12.4746 13.0722 13.0722 13.0772 13.0772 13.7030 13.7030 13.7083 13.7083 14.5450 14.5450 14.5601 14.5601 15.2204 15.2204 15.2235 15.2235 15.3845 15.3845 15.3891 15.3891 17.0616 17.0616 17.0725 17.0725 17.5615 17.5615 17.5615 17.5615 k = 0.1891 0.5078 0.5920 ( 3684 PWs) bands (ev): 4.2282 4.2282 4.2299 4.2299 5.1052 5.1052 5.1122 5.1122 5.9654 5.9654 5.9713 5.9713 9.2412 9.2412 9.2434 9.2434 9.8824 9.8824 9.8836 9.8836 11.4529 11.4529 11.4530 11.4530 12.4334 12.4334 12.4466 12.4466 13.0706 13.0706 13.0756 13.0756 13.6908 13.6908 13.6957 13.6957 14.5547 14.5547 14.5696 14.5696 15.2262 15.2262 15.2289 15.2289 15.3980 15.3980 15.4025 15.4025 17.0528 17.0528 17.0642 17.0642 17.5333 17.5333 17.5344 17.5344 k = 0.2049 0.5078 0.5920 ( 3682 PWs) bands (ev): 4.2430 4.2430 4.2449 4.2449 5.1187 5.1187 5.1264 5.1264 5.9277 5.9277 5.9341 5.9341 9.2333 9.2333 9.2353 9.2353 9.8688 9.8688 9.8697 9.8697 11.5091 11.5091 11.5092 11.5092 12.4050 12.4050 12.4183 12.4183 13.0694 13.0694 13.0743 13.0743 13.6792 13.6792 13.6837 13.6837 14.5620 14.5620 14.5764 14.5764 15.2329 15.2329 15.2349 15.2349 15.4126 15.4126 15.4168 15.4168 17.0445 17.0445 17.0564 17.0564 17.5042 17.5042 17.5066 17.5066 k = 0.2207 0.5078 0.5920 ( 3692 PWs) bands (ev): 4.2587 4.2587 4.2607 4.2607 5.1328 5.1328 5.1411 5.1411 5.8890 5.8890 5.8960 5.8960 9.2179 9.2179 9.2198 9.2198 9.8650 9.8650 9.8656 9.8656 11.5622 11.5622 11.5626 11.5626 12.3772 12.3772 12.3902 12.3902 13.0685 13.0685 13.0733 13.0733 13.6682 13.6682 13.6723 13.6723 14.5664 14.5664 14.5802 14.5802 15.2404 15.2404 15.2415 15.2415 15.4281 15.4281 15.4318 15.4318 17.0369 17.0369 17.0491 17.0491 17.4746 17.4746 17.4782 17.4782 k = 0.2364 0.5078 0.5920 ( 3698 PWs) bands (ev): 4.2752 4.2752 4.2772 4.2772 5.1473 5.1473 5.1563 5.1563 5.8497 5.8497 5.8573 5.8573 9.1958 9.1958 9.1975 9.1975 9.8702 9.8702 9.8704 9.8704 11.6119 11.6119 11.6126 11.6126 12.3506 12.3506 12.3632 12.3632 13.0681 13.0681 13.0727 13.0727 13.6579 13.6579 13.6616 13.6616 14.5680 14.5680 14.5808 14.5808 15.2487 15.2487 15.2489 15.2489 15.4442 15.4442 15.4474 15.4474 17.0301 17.0301 17.0426 17.0426 17.4446 17.4446 17.4493 17.4493 k = 0.2522 0.5078 0.5920 ( 3696 PWs) bands (ev): 4.2923 4.2923 4.2944 4.2944 5.1621 5.1621 5.1718 5.1718 5.8103 5.8103 5.8184 5.8184 9.1681 9.1681 9.1696 9.1696 9.8828 9.8828 9.8829 9.8829 11.6574 11.6574 11.6585 11.6585 12.3261 12.3261 12.3380 12.3380 13.0682 13.0682 13.0726 13.0726 13.6485 13.6485 13.6517 13.6517 14.5666 14.5666 14.5784 14.5784 15.2568 15.2568 15.2577 15.2577 15.4608 15.4608 15.4634 15.4634 17.0244 17.0244 17.0371 17.0371 17.4145 17.4145 17.4203 17.4203 k = 0.2679 0.5078 0.5920 ( 3694 PWs) bands (ev): 4.3100 4.3100 4.3122 4.3122 5.1769 5.1769 5.1873 5.1873 5.7711 5.7711 5.7798 5.7798 9.1363 9.1363 9.1375 9.1375 9.9011 9.9011 9.9015 9.9015 11.6979 11.6979 11.6994 11.6994 12.3046 12.3046 12.3158 12.3158 13.0688 13.0688 13.0730 13.0730 13.6397 13.6397 13.6426 13.6426 14.5623 14.5623 14.5730 14.5730 15.2651 15.2651 15.2670 15.2670 15.4779 15.4779 15.4799 15.4799 17.0199 17.0199 17.0327 17.0327 17.3845 17.3845 17.3913 17.3913 k = 0.2837 0.5078 0.5920 ( 3700 PWs) bands (ev): 4.3281 4.3281 4.3303 4.3303 5.1915 5.1915 5.2025 5.2025 5.7326 5.7326 5.7420 5.7420 9.1018 9.1018 9.1028 9.1028 9.9235 9.9235 9.9243 9.9243 11.7324 11.7324 11.7344 11.7344 12.2872 12.2872 12.2973 12.2973 13.0701 13.0701 13.0739 13.0739 13.6318 13.6318 13.6342 13.6342 14.5553 14.5553 14.5648 14.5648 15.2737 15.2737 15.2764 15.2764 15.4951 15.4951 15.4965 15.4965 17.0166 17.0166 17.0294 17.0294 17.3546 17.3546 17.3624 17.3624 k = 0.2995 0.5078 0.5920 ( 3698 PWs) bands (ev): 4.3464 4.3464 4.3486 4.3486 5.2055 5.2055 5.2171 5.2171 5.6956 5.6956 5.7055 5.7055 9.0658 9.0658 9.0667 9.0667 9.9487 9.9487 9.9496 9.9496 11.7603 11.7603 11.7628 11.7628 12.2748 12.2748 12.2836 12.2836 13.0721 13.0721 13.0756 13.0756 13.6247 13.6247 13.6267 13.6267 14.5459 14.5459 14.5542 14.5542 15.2822 15.2822 15.2855 15.2855 15.5125 15.5125 15.5134 15.5134 17.0147 17.0147 17.0275 17.0275 17.3253 17.3253 17.3338 17.3338 k = 0.3152 0.5078 0.5920 ( 3704 PWs) bands (ev): 4.3647 4.3647 4.3669 4.3669 5.2186 5.2186 5.2306 5.2306 5.6606 5.6606 5.6709 5.6709 9.0295 9.0295 9.0302 9.0302 9.9752 9.9752 9.9763 9.9763 11.7811 11.7811 11.7841 11.7841 12.2678 12.2678 12.2753 12.2753 13.0749 13.0749 13.0781 13.0781 13.6183 13.6183 13.6199 13.6199 14.5344 14.5344 14.5414 14.5414 15.2903 15.2903 15.2942 15.2942 15.5298 15.5298 15.5303 15.5303 17.0143 17.0143 17.0268 17.0268 17.2966 17.2966 17.3057 17.3057 k = 0.3310 0.5078 0.5920 ( 3700 PWs) bands (ev): 4.3829 4.3829 4.3849 4.3849 5.2303 5.2303 5.2424 5.2424 5.6285 5.6285 5.6390 5.6390 8.9937 8.9937 8.9943 8.9943 10.0019 10.0019 10.0030 10.0030 11.7949 11.7949 11.7982 11.7982 12.2665 12.2665 12.2726 12.2726 13.0788 13.0788 13.0816 13.0816 13.6128 13.6128 13.6140 13.6140 14.5210 14.5210 14.5269 14.5269 15.2980 15.2980 15.3020 15.3020 15.5470 15.5470 15.5472 15.5472 17.0152 17.0152 17.0275 17.0275 17.2688 17.2688 17.2784 17.2784 k = 0.3467 0.5078 0.5920 ( 3702 PWs) bands (ev): 4.4005 4.4005 4.4024 4.4024 5.2399 5.2399 5.2517 5.2517 5.6003 5.6003 5.6106 5.6106 8.9590 8.9590 8.9595 8.9595 10.0278 10.0278 10.0289 10.0289 11.8025 11.8025 11.8059 11.8059 12.2699 12.2699 12.2747 12.2747 13.0838 13.0838 13.0861 13.0861 13.6079 13.6079 13.6089 13.6089 14.5063 14.5063 14.5111 14.5111 15.3048 15.3048 15.3088 15.3088 15.5638 15.5638 15.5638 15.5638 17.0175 17.0175 17.0292 17.0292 17.2423 17.2423 17.2521 17.2521 k = 0.3625 0.5078 0.5920 ( 3696 PWs) bands (ev): 4.4174 4.4174 4.4191 4.4191 5.2469 5.2469 5.2578 5.2578 5.5772 5.5772 5.5867 5.5867 8.9261 8.9261 8.9265 8.9265 10.0520 10.0520 10.0530 10.0530 11.8051 11.8051 11.8084 11.8084 12.2770 12.2770 12.2806 12.2806 13.0901 13.0901 13.0920 13.0920 13.6038 13.6038 13.6045 13.6045 14.4905 14.4905 14.4942 14.4942 15.3109 15.3109 15.3145 15.3145 15.5801 15.5801 15.5803 15.5803 17.0208 17.0208 17.0318 17.0318 17.2175 17.2175 17.2271 17.2271 k = 0.3783 0.5078 0.5920 ( 3700 PWs) bands (ev): 4.4332 4.4332 4.4346 4.4346 5.2508 5.2508 5.2600 5.2600 5.5600 5.5600 5.5681 5.5681 8.8954 8.8954 8.8956 8.8956 10.0737 10.0737 10.0746 10.0746 11.8045 11.8045 11.8074 11.8074 12.2861 12.2861 12.2886 12.2886 13.0978 13.0978 13.0993 13.0993 13.6004 13.6004 13.6008 13.6008 14.4741 14.4741 14.4768 14.4768 15.3159 15.3159 15.3188 15.3188 15.5959 15.5959 15.5961 15.5961 17.0249 17.0249 17.0345 17.0345 17.1952 17.1952 17.2040 17.2040 k = 0.3940 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4474 4.4474 4.4484 4.4484 5.2513 5.2513 5.2580 5.2580 5.5494 5.5494 5.5553 5.5553 8.8672 8.8672 8.8674 8.8674 10.0924 10.0924 10.0930 10.0930 11.8022 11.8022 11.8043 11.8043 12.2958 12.2958 12.2974 12.2974 13.1071 13.1071 13.1081 13.1081 13.5976 13.5976 13.5979 13.5979 14.4574 14.4574 14.4591 14.4591 15.3197 15.3197 15.3219 15.3219 15.6110 15.6110 15.6112 15.6112 17.0288 17.0288 17.0364 17.0364 17.1764 17.1764 17.1835 17.1835 k = 0.4098 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4596 4.4596 4.4602 4.4602 5.2487 5.2487 5.2522 5.2522 5.5454 5.5454 5.5484 5.5484 8.8419 8.8419 8.8420 8.8420 10.1073 10.1073 10.1077 10.1077 11.7996 11.7996 11.8007 11.8007 12.3048 12.3048 12.3055 12.3055 13.1181 13.1181 13.1186 13.1186 13.5955 13.5955 13.5956 13.5956 14.4408 14.4408 14.4416 14.4416 15.3225 15.3225 15.3237 15.3237 15.6253 15.6253 15.6254 15.6254 17.0316 17.0316 17.0360 17.0360 17.1627 17.1627 17.1669 17.1669 k = 0.4255 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4694 4.4694 4.4694 4.4694 5.2439 5.2439 5.2439 5.2439 5.5472 5.5472 5.5472 5.5472 8.8198 8.8198 8.8198 8.8198 10.1182 10.1182 10.1182 10.1182 11.7977 11.7977 11.7977 11.7977 12.3120 12.3120 12.3120 12.3120 13.1308 13.1308 13.1308 13.1308 13.5939 13.5939 13.5939 13.5939 14.4247 14.4247 14.4247 14.4247 15.3241 15.3241 15.3241 15.3241 15.6385 15.6385 15.6385 15.6385 17.0315 17.0315 17.0315 17.0315 17.1559 17.1559 17.1559 17.1559 k = 0.4255 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4694 4.4694 4.4694 4.4694 5.2439 5.2439 5.2439 5.2439 5.5472 5.5472 5.5472 5.5472 8.8198 8.8198 8.8198 8.8198 10.1182 10.1182 10.1182 10.1182 11.7977 11.7977 11.7977 11.7977 12.3120 12.3120 12.3120 12.3120 13.1308 13.1308 13.1308 13.1308 13.5939 13.5939 13.5939 13.5939 14.4247 14.4247 14.4247 14.4247 15.3241 15.3241 15.3241 15.3241 15.6385 15.6385 15.6385 15.6385 17.0315 17.0315 17.0315 17.0315 17.1559 17.1559 17.1559 17.1559 k = 0.4154 0.4957 0.5920 ( 3706 PWs) bands (ev): 4.4558 4.4558 4.4558 4.4558 5.2562 5.2562 5.2562 5.2562 5.5429 5.5429 5.5429 5.5429 8.8534 8.8534 8.8534 8.8534 10.1041 10.1041 10.1041 10.1041 11.8005 11.8005 11.8005 11.8005 12.3027 12.3027 12.3027 12.3027 13.1095 13.1095 13.1095 13.1095 13.5962 13.5962 13.5962 13.5962 14.4507 14.4507 14.4507 14.4507 15.3235 15.3235 15.3235 15.3235 15.6179 15.6179 15.6179 15.6179 17.0389 17.0389 17.0389 17.0389 17.1648 17.1648 17.1648 17.1648 k = 0.4053 0.4837 0.5920 ( 3698 PWs) bands (ev): 4.4404 4.4404 4.4404 4.4404 5.2700 5.2700 5.2700 5.2700 5.5391 5.5391 5.5391 5.5391 8.8901 8.8901 8.8901 8.8901 10.0881 10.0881 10.0881 10.0881 11.8030 11.8030 11.8030 11.8030 12.2930 12.2930 12.2930 12.2930 13.0873 13.0873 13.0873 13.0873 13.5990 13.5990 13.5990 13.5990 14.4781 14.4781 14.4781 14.4781 15.3232 15.3232 15.3232 15.3232 15.5955 15.5955 15.5955 15.5955 17.0472 17.0472 17.0472 17.0472 17.1750 17.1750 17.1750 17.1750 k = 0.3952 0.4716 0.5920 ( 3698 PWs) bands (ev): 4.4231 4.4231 4.4231 4.4231 5.2852 5.2852 5.2852 5.2852 5.5360 5.5360 5.5360 5.5360 8.9295 8.9295 8.9295 8.9295 10.0703 10.0703 10.0703 10.0703 11.8047 11.8047 11.8047 11.8047 12.2833 12.2833 12.2833 12.2833 13.0643 13.0643 13.0643 13.0643 13.6024 13.6024 13.6024 13.6024 14.5064 14.5064 14.5064 14.5064 15.3232 15.3232 15.3232 15.3232 15.5717 15.5717 15.5717 15.5717 17.0561 17.0561 17.0561 17.0561 17.1863 17.1863 17.1863 17.1863 k = 0.3850 0.4595 0.5920 ( 3694 PWs) bands (ev): 4.4040 4.4040 4.4040 4.4040 5.3020 5.3020 5.3020 5.3020 5.5337 5.5337 5.5337 5.5337 8.9712 8.9712 8.9712 8.9712 10.0507 10.0507 10.0507 10.0507 11.8053 11.8053 11.8053 11.8053 12.2742 12.2742 12.2742 12.2742 13.0410 13.0410 13.0410 13.0410 13.6063 13.6063 13.6063 13.6063 14.5350 14.5350 14.5350 14.5350 15.3238 15.3238 15.3238 15.3238 15.5467 15.5467 15.5467 15.5467 17.0657 17.0657 17.0657 17.0657 17.1988 17.1988 17.1988 17.1988 k = 0.3749 0.4474 0.5920 ( 3694 PWs) bands (ev): 4.3831 4.3831 4.3831 4.3831 5.3201 5.3201 5.3201 5.3201 5.5324 5.5324 5.5324 5.5324 9.0149 9.0149 9.0149 9.0149 10.0293 10.0293 10.0293 10.0293 11.8042 11.8042 11.8042 11.8042 12.2661 12.2661 12.2661 12.2661 13.0175 13.0175 13.0175 13.0175 13.6108 13.6108 13.6108 13.6108 14.5636 14.5636 14.5636 14.5636 15.3250 15.3250 15.3250 15.3250 15.5208 15.5208 15.5208 15.5208 17.0758 17.0758 17.0758 17.0758 17.2125 17.2125 17.2125 17.2125 k = 0.3648 0.4353 0.5920 ( 3690 PWs) bands (ev): 4.3606 4.3606 4.3606 4.3606 5.3397 5.3397 5.3397 5.3397 5.5323 5.5323 5.5323 5.5323 9.0601 9.0601 9.0601 9.0601 10.0061 10.0061 10.0061 10.0061 11.8009 11.8009 11.8009 11.8009 12.2599 12.2599 12.2599 12.2599 12.9943 12.9943 12.9943 12.9943 13.6159 13.6159 13.6159 13.6159 14.5916 14.5916 14.5916 14.5916 15.3271 15.3271 15.3271 15.3271 15.4945 15.4945 15.4945 15.4945 17.0864 17.0864 17.0864 17.0864 17.2275 17.2275 17.2275 17.2275 k = 0.3546 0.4232 0.5920 ( 3690 PWs) bands (ev): 4.3366 4.3366 4.3366 4.3366 5.3606 5.3606 5.3606 5.3606 5.5335 5.5335 5.5335 5.5335 9.1066 9.1066 9.1066 9.1066 9.9812 9.9812 9.9812 9.9812 11.7948 11.7948 11.7948 11.7948 12.2560 12.2560 12.2560 12.2560 12.9713 12.9713 12.9713 12.9713 13.6217 13.6217 13.6217 13.6217 14.6185 14.6185 14.6185 14.6185 15.3302 15.3302 15.3302 15.3302 15.4681 15.4681 15.4681 15.4681 17.0972 17.0972 17.0972 17.0972 17.2436 17.2436 17.2436 17.2436 k = 0.3445 0.4111 0.5920 ( 3686 PWs) bands (ev): 4.3110 4.3110 4.3110 4.3110 5.3829 5.3829 5.3829 5.3829 5.5361 5.5361 5.5361 5.5361 9.1539 9.1539 9.1539 9.1539 9.9545 9.9545 9.9545 9.9545 11.7853 11.7853 11.7853 11.7853 12.2552 12.2552 12.2552 12.2552 12.9490 12.9490 12.9490 12.9490 13.6282 13.6282 13.6282 13.6282 14.6440 14.6440 14.6440 14.6440 15.3343 15.3343 15.3343 15.3343 15.4420 15.4420 15.4420 15.4420 17.1083 17.1083 17.1083 17.1083 17.2611 17.2611 17.2611 17.2611 k = 0.3344 0.3990 0.5920 ( 3690 PWs) bands (ev): 4.2842 4.2842 4.2842 4.2842 5.4064 5.4064 5.4064 5.4064 5.5402 5.5402 5.5402 5.5402 9.2018 9.2018 9.2018 9.2018 9.9261 9.9261 9.9261 9.9261 11.7721 11.7721 11.7721 11.7721 12.2578 12.2578 12.2578 12.2578 12.9274 12.9274 12.9274 12.9274 13.6353 13.6353 13.6353 13.6353 14.6677 14.6677 14.6677 14.6677 15.3392 15.3392 15.3392 15.3392 15.4172 15.4172 15.4172 15.4172 17.1194 17.1194 17.1194 17.1194 17.2797 17.2797 17.2797 17.2797 k = 0.3242 0.3869 0.5920 ( 3682 PWs) bands (ev): 4.2562 4.2562 4.2562 4.2562 5.4311 5.4311 5.4311 5.4311 5.5457 5.5457 5.5457 5.5457 9.2498 9.2498 9.2498 9.2498 9.8961 9.8961 9.8961 9.8961 11.7551 11.7551 11.7551 11.7551 12.2643 12.2643 12.2643 12.2643 12.9066 12.9066 12.9066 12.9066 13.6431 13.6431 13.6431 13.6431 14.6891 14.6891 14.6891 14.6891 15.3433 15.3433 15.3433 15.3433 15.3956 15.3956 15.3956 15.3956 17.1304 17.1304 17.1304 17.1304 17.2996 17.2996 17.2996 17.2996 k = 0.3141 0.3748 0.5920 ( 3678 PWs) bands (ev): 4.2272 4.2272 4.2272 4.2272 5.4569 5.4569 5.4569 5.4569 5.5527 5.5527 5.5527 5.5527 9.2976 9.2976 9.2976 9.2976 9.8645 9.8645 9.8645 9.8645 11.7341 11.7341 11.7341 11.7341 12.2746 12.2746 12.2746 12.2746 12.8867 12.8867 12.8867 12.8867 13.6515 13.6515 13.6515 13.6515 14.7080 14.7080 14.7080 14.7080 15.3408 15.3408 15.3408 15.3408 15.3835 15.3835 15.3835 15.3835 17.1411 17.1411 17.1411 17.1411 17.3208 17.3208 17.3208 17.3208 k = 0.3040 0.3627 0.5920 ( 3682 PWs) bands (ev): 4.1974 4.1974 4.1974 4.1974 5.4837 5.4837 5.4837 5.4837 5.5613 5.5613 5.5613 5.5613 9.3451 9.3451 9.3451 9.3451 9.8314 9.8314 9.8314 9.8314 11.7093 11.7093 11.7093 11.7093 12.2887 12.2887 12.2887 12.2887 12.8679 12.8679 12.8679 12.8679 13.6605 13.6605 13.6605 13.6605 14.7240 14.7240 14.7240 14.7240 15.3264 15.3264 15.3264 15.3264 15.3865 15.3865 15.3865 15.3865 17.1512 17.1512 17.1512 17.1512 17.3432 17.3432 17.3432 17.3432 k = 0.2938 0.3506 0.5920 ( 3678 PWs) bands (ev): 4.1670 4.1670 4.1670 4.1670 5.5112 5.5112 5.5112 5.5112 5.5715 5.5715 5.5715 5.5715 9.3918 9.3918 9.3918 9.3918 9.7968 9.7968 9.7968 9.7968 11.6812 11.6812 11.6812 11.6812 12.3064 12.3064 12.3064 12.3064 12.8502 12.8502 12.8502 12.8502 13.6699 13.6699 13.6699 13.6699 14.7371 14.7371 14.7371 14.7371 15.3070 15.3070 15.3070 15.3070 15.3981 15.3981 15.3981 15.3981 17.1605 17.1605 17.1605 17.1605 17.3669 17.3669 17.3669 17.3669 k = 0.2837 0.3386 0.5920 ( 3680 PWs) bands (ev): 4.1361 4.1361 4.1361 4.1361 5.5390 5.5390 5.5390 5.5390 5.5836 5.5836 5.5836 5.5836 9.4376 9.4376 9.4376 9.4376 9.7608 9.7608 9.7608 9.7608 11.6501 11.6501 11.6501 11.6501 12.3273 12.3273 12.3273 12.3273 12.8337 12.8337 12.8337 12.8337 13.6798 13.6798 13.6798 13.6798 14.7472 14.7472 14.7472 14.7472 15.2873 15.2873 15.2873 15.2873 15.4139 15.4139 15.4139 15.4139 17.1688 17.1688 17.1688 17.1688 17.3918 17.3918 17.3918 17.3918 k = 0.2736 0.3265 0.5920 ( 3680 PWs) bands (ev): 4.1050 4.1050 4.1050 4.1050 5.5660 5.5660 5.5660 5.5660 5.5987 5.5987 5.5987 5.5987 9.4821 9.4821 9.4821 9.4821 9.7235 9.7235 9.7235 9.7235 11.6163 11.6163 11.6163 11.6163 12.3510 12.3510 12.3510 12.3510 12.8185 12.8185 12.8185 12.8185 13.6901 13.6901 13.6901 13.6901 14.7542 14.7542 14.7542 14.7542 15.2687 15.2687 15.2687 15.2687 15.4324 15.4324 15.4324 15.4324 17.1756 17.1756 17.1756 17.1756 17.4180 17.4180 17.4180 17.4180 k = 0.2634 0.3144 0.5920 ( 3668 PWs) bands (ev): 4.0737 4.0737 4.0737 4.0737 5.5897 5.5897 5.5897 5.5897 5.6191 5.6191 5.6191 5.6191 9.5253 9.5253 9.5253 9.5253 9.6852 9.6852 9.6852 9.6852 11.5803 11.5803 11.5803 11.5803 12.3771 12.3771 12.3771 12.3771 12.8044 12.8044 12.8044 12.8044 13.7007 13.7007 13.7007 13.7007 14.7584 14.7584 14.7584 14.7584 15.2518 15.2518 15.2518 15.2518 15.4532 15.4532 15.4532 15.4532 17.1808 17.1808 17.1808 17.1808 17.4453 17.4453 17.4453 17.4453 k = 0.2533 0.3023 0.5920 ( 3662 PWs) bands (ev): 4.0424 4.0424 4.0424 4.0424 5.6089 5.6089 5.6089 5.6089 5.6457 5.6457 5.6457 5.6457 9.5666 9.5666 9.5666 9.5666 9.6461 9.6461 9.6461 9.6461 11.5426 11.5426 11.5426 11.5426 12.4053 12.4053 12.4053 12.4053 12.7916 12.7916 12.7916 12.7916 13.7115 13.7115 13.7115 13.7115 14.7599 14.7599 14.7599 14.7599 15.2370 15.2370 15.2370 15.2370 15.4758 15.4758 15.4758 15.4758 17.1839 17.1839 17.1839 17.1839 17.4739 17.4739 17.4739 17.4739 k = 0.2432 0.2902 0.5920 ( 3658 PWs) bands (ev): 4.0113 4.0113 4.0113 4.0113 5.6258 5.6258 5.6258 5.6258 5.6762 5.6762 5.6762 5.6762 9.5969 9.5969 9.5969 9.5969 9.6155 9.6155 9.6155 9.6155 11.5035 11.5035 11.5035 11.5035 12.4353 12.4353 12.4353 12.4353 12.7800 12.7800 12.7800 12.7800 13.7224 13.7224 13.7224 13.7224 14.7588 14.7588 14.7588 14.7588 15.2243 15.2243 15.2243 15.2243 15.4998 15.4998 15.4998 15.4998 17.1846 17.1846 17.1846 17.1846 17.5037 17.5037 17.5037 17.5037 k = 0.2330 0.2781 0.5920 ( 3666 PWs) bands (ev): 3.9806 3.9806 3.9806 3.9806 5.6422 5.6422 5.6422 5.6422 5.7085 5.7085 5.7085 5.7085 9.5621 9.5621 9.5621 9.5621 9.6473 9.6473 9.6473 9.6473 11.4632 11.4632 11.4632 11.4632 12.4664 12.4664 12.4664 12.4664 12.7696 12.7696 12.7696 12.7696 13.7332 13.7332 13.7332 13.7332 14.7555 14.7555 14.7555 14.7555 15.2141 15.2141 15.2141 15.2141 15.5250 15.5250 15.5250 15.5250 17.1824 17.1824 17.1824 17.1824 17.5345 17.5345 17.5345 17.5345 k = 0.2229 0.2660 0.5920 ( 3666 PWs) bands (ev): 3.9504 3.9504 3.9504 3.9504 5.6587 5.6587 5.6587 5.6587 5.7419 5.7419 5.7419 5.7419 9.5205 9.5205 9.5205 9.5205 9.6835 9.6835 9.6835 9.6835 11.4222 11.4222 11.4222 11.4222 12.4985 12.4985 12.4985 12.4985 12.7604 12.7604 12.7604 12.7604 13.7441 13.7441 13.7441 13.7441 14.7502 14.7502 14.7502 14.7502 15.2064 15.2064 15.2064 15.2064 15.5510 15.5510 15.5510 15.5510 17.1772 17.1772 17.1772 17.1772 17.5663 17.5663 17.5663 17.5663 k = 0.2128 0.2539 0.5920 ( 3666 PWs) bands (ev): 3.9207 3.9207 3.9207 3.9207 5.6753 5.6753 5.6753 5.6753 5.7760 5.7760 5.7760 5.7760 9.4780 9.4780 9.4780 9.4780 9.7182 9.7182 9.7182 9.7182 11.3808 11.3808 11.3808 11.3808 12.5312 12.5312 12.5312 12.5312 12.7524 12.7524 12.7524 12.7524 13.7547 13.7547 13.7547 13.7547 14.7433 14.7433 14.7433 14.7433 15.2013 15.2013 15.2013 15.2013 15.5777 15.5777 15.5777 15.5777 17.1687 17.1687 17.1687 17.1687 17.5989 17.5989 17.5989 17.5989 k = 0.2026 0.2418 0.5920 ( 3680 PWs) bands (ev): 3.8917 3.8917 3.8917 3.8917 5.6922 5.6922 5.6922 5.6922 5.8106 5.8106 5.8106 5.8106 9.4351 9.4351 9.4351 9.4351 9.7510 9.7510 9.7510 9.7510 11.3391 11.3391 11.3391 11.3391 12.5640 12.5640 12.5640 12.5640 12.7455 12.7455 12.7455 12.7455 13.7650 13.7650 13.7650 13.7650 14.7347 14.7347 14.7347 14.7347 15.1988 15.1988 15.1988 15.1988 15.6046 15.6046 15.6046 15.6046 17.1566 17.1566 17.1566 17.1566 17.6321 17.6321 17.6321 17.6321 k = 0.1925 0.2297 0.5920 ( 3676 PWs) bands (ev): 3.8636 3.8636 3.8636 3.8636 5.7092 5.7092 5.7092 5.7092 5.8455 5.8455 5.8455 5.8455 9.3920 9.3920 9.3920 9.3920 9.7820 9.7820 9.7820 9.7820 11.2976 11.2976 11.2976 11.2976 12.5968 12.5968 12.5968 12.5968 12.7398 12.7398 12.7398 12.7398 13.7751 13.7751 13.7751 13.7751 14.7250 14.7250 14.7250 14.7250 15.1990 15.1990 15.1990 15.1990 15.6316 15.6316 15.6316 15.6316 17.1411 17.1411 17.1411 17.1411 17.6657 17.6657 17.6657 17.6657 k = 0.1824 0.2176 0.5920 ( 3680 PWs) bands (ev): 3.8364 3.8364 3.8364 3.8364 5.7262 5.7262 5.7262 5.7262 5.8804 5.8804 5.8804 5.8804 9.3489 9.3489 9.3489 9.3489 9.8111 9.8111 9.8111 9.8111 11.2565 11.2565 11.2565 11.2565 12.6290 12.6290 12.6290 12.6290 12.7352 12.7352 12.7352 12.7352 13.7848 13.7848 13.7848 13.7848 14.7143 14.7143 14.7143 14.7143 15.2016 15.2016 15.2016 15.2016 15.6584 15.6584 15.6584 15.6584 17.1223 17.1223 17.1223 17.1223 17.6992 17.6992 17.6992 17.6992 k = 0.1722 0.2056 0.5920 ( 3676 PWs) bands (ev): 3.8102 3.8102 3.8102 3.8102 5.7432 5.7432 5.7432 5.7432 5.9153 5.9153 5.9153 5.9153 9.3059 9.3059 9.3059 9.3059 9.8383 9.8383 9.8383 9.8383 11.2159 11.2159 11.2159 11.2159 12.6602 12.6602 12.6602 12.6602 12.7319 12.7319 12.7319 12.7319 13.7940 13.7940 13.7940 13.7940 14.7028 14.7028 14.7028 14.7028 15.2067 15.2067 15.2067 15.2067 15.6848 15.6848 15.6848 15.6848 17.1005 17.1005 17.1005 17.1005 17.7322 17.7322 17.7322 17.7322 k = 0.1621 0.1935 0.5920 ( 3672 PWs) bands (ev): 3.7852 3.7852 3.7852 3.7852 5.7600 5.7600 5.7600 5.7600 5.9499 5.9499 5.9499 5.9499 9.2634 9.2634 9.2634 9.2634 9.8637 9.8637 9.8637 9.8637 11.1763 11.1763 11.1763 11.1763 12.6892 12.6892 12.6892 12.6892 12.7307 12.7307 12.7307 12.7307 13.8027 13.8027 13.8027 13.8027 14.6907 14.6907 14.6907 14.6907 15.2141 15.2141 15.2141 15.2141 15.7107 15.7107 15.7107 15.7107 17.0762 17.0762 17.0762 17.0762 17.7639 17.7639 17.7639 17.7639 k = 0.1520 0.1814 0.5920 ( 3672 PWs) bands (ev): 3.7612 3.7612 3.7612 3.7612 5.7766 5.7766 5.7766 5.7766 5.9842 5.9842 5.9842 5.9842 9.2215 9.2215 9.2215 9.2215 9.8873 9.8873 9.8873 9.8873 11.1377 11.1377 11.1377 11.1377 12.7106 12.7106 12.7106 12.7106 12.7367 12.7367 12.7367 12.7367 13.8110 13.8110 13.8110 13.8110 14.6781 14.6781 14.6781 14.6781 15.2234 15.2234 15.2234 15.2234 15.7360 15.7360 15.7360 15.7360 17.0499 17.0499 17.0499 17.0499 17.7939 17.7939 17.7939 17.7939 k = 0.1418 0.1693 0.5920 ( 3676 PWs) bands (ev): 3.7386 3.7386 3.7386 3.7386 5.7928 5.7928 5.7928 5.7928 6.0178 6.0178 6.0178 6.0178 9.1805 9.1805 9.1805 9.1805 9.9091 9.9091 9.9091 9.9091 11.1003 11.1003 11.1003 11.1003 12.7170 12.7170 12.7170 12.7170 12.7570 12.7570 12.7570 12.7570 13.8186 13.8186 13.8186 13.8186 14.6654 14.6654 14.6654 14.6654 15.2345 15.2345 15.2345 15.2345 15.7604 15.7604 15.7604 15.7604 17.0223 17.0223 17.0223 17.0223 17.8214 17.8214 17.8214 17.8214 k = 0.1317 0.1572 0.5920 ( 3680 PWs) bands (ev): 3.7172 3.7172 3.7172 3.7172 5.8084 5.8084 5.8084 5.8084 6.0505 6.0505 6.0505 6.0505 9.1406 9.1406 9.1406 9.1406 9.9292 9.9292 9.9292 9.9292 11.0645 11.0645 11.0645 11.0645 12.7178 12.7178 12.7178 12.7178 12.7820 12.7820 12.7820 12.7820 13.8258 13.8258 13.8258 13.8258 14.6525 14.6525 14.6525 14.6525 15.2470 15.2470 15.2470 15.2470 15.7838 15.7838 15.7838 15.7838 16.9939 16.9939 16.9939 16.9939 17.8461 17.8461 17.8461 17.8461 k = 0.1216 0.1451 0.5920 ( 3680 PWs) bands (ev): 3.6973 3.6973 3.6973 3.6973 5.8235 5.8235 5.8235 5.8235 6.0823 6.0823 6.0823 6.0823 9.1021 9.1021 9.1021 9.1021 9.9477 9.9477 9.9477 9.9477 11.0304 11.0304 11.0304 11.0304 12.7179 12.7179 12.7179 12.7179 12.8064 12.8064 12.8064 12.8064 13.8324 13.8324 13.8324 13.8324 14.6399 14.6399 14.6399 14.6399 15.2606 15.2606 15.2606 15.2606 15.8061 15.8061 15.8061 15.8061 16.9654 16.9654 16.9654 16.9654 17.8678 17.8678 17.8678 17.8678 k = 0.1115 0.1330 0.5920 ( 3680 PWs) bands (ev): 3.6787 3.6787 3.6787 3.6787 5.8378 5.8378 5.8378 5.8378 6.1128 6.1128 6.1128 6.1128 9.0653 9.0653 9.0653 9.0653 9.9645 9.9645 9.9645 9.9645 10.9981 10.9981 10.9981 10.9981 12.7180 12.7180 12.7180 12.7180 12.8295 12.8295 12.8295 12.8295 13.8385 13.8385 13.8385 13.8385 14.6275 14.6275 14.6275 14.6275 15.2749 15.2749 15.2749 15.2749 15.8273 15.8273 15.8273 15.8273 16.9373 16.9373 16.9373 16.9373 17.8868 17.8868 17.8868 17.8868 k = 0.1013 0.1209 0.5920 ( 3680 PWs) bands (ev): 3.6616 3.6616 3.6616 3.6616 5.8513 5.8513 5.8513 5.8513 6.1417 6.1417 6.1417 6.1417 9.0303 9.0303 9.0303 9.0303 9.9798 9.9798 9.9798 9.9798 10.9680 10.9680 10.9680 10.9680 12.7184 12.7184 12.7184 12.7184 12.8508 12.8508 12.8508 12.8508 13.8440 13.8440 13.8440 13.8440 14.6156 14.6156 14.6156 14.6156 15.2896 15.2896 15.2896 15.2896 15.8471 15.8471 15.8471 15.8471 16.9101 16.9101 16.9101 16.9101 17.9034 17.9034 17.9034 17.9034 k = 0.0912 0.1088 0.5920 ( 3688 PWs) bands (ev): 3.6460 3.6460 3.6460 3.6460 5.8638 5.8638 5.8638 5.8638 6.1689 6.1689 6.1689 6.1689 8.9976 8.9976 8.9976 8.9976 9.9935 9.9935 9.9935 9.9935 10.9400 10.9400 10.9400 10.9400 12.7190 12.7190 12.7190 12.7190 12.8701 12.8701 12.8701 12.8701 13.8489 13.8489 13.8489 13.8489 14.6044 14.6044 14.6044 14.6044 15.3042 15.3042 15.3042 15.3042 15.8655 15.8655 15.8655 15.8655 16.8842 16.8842 16.8842 16.8842 17.9181 17.9181 17.9181 17.9181 k = 0.0811 0.0967 0.5920 ( 3676 PWs) bands (ev): 3.6320 3.6320 3.6320 3.6320 5.8753 5.8753 5.8753 5.8753 6.1942 6.1942 6.1942 6.1942 8.9673 8.9673 8.9673 8.9673 10.0057 10.0057 10.0057 10.0057 10.9146 10.9146 10.9146 10.9146 12.7197 12.7197 12.7197 12.7197 12.8876 12.8876 12.8876 12.8876 13.8534 13.8534 13.8534 13.8534 14.5939 14.5939 14.5939 14.5939 15.3185 15.3185 15.3185 15.3185 15.8824 15.8824 15.8824 15.8824 16.8602 16.8602 16.8602 16.8602 17.9314 17.9314 17.9314 17.9314 k = 0.0709 0.0846 0.5920 ( 3672 PWs) bands (ev): 3.6195 3.6195 3.6195 3.6195 5.8857 5.8857 5.8857 5.8857 6.2172 6.2172 6.2172 6.2172 8.9398 8.9398 8.9398 8.9398 10.0165 10.0165 10.0165 10.0165 10.8916 10.8916 10.8916 10.8916 12.7205 12.7205 12.7205 12.7205 12.9030 12.9030 12.9030 12.9030 13.8573 13.8573 13.8573 13.8573 14.5842 14.5842 14.5842 14.5842 15.3320 15.3320 15.3320 15.3320 15.8976 15.8976 15.8976 15.8976 16.8381 16.8381 16.8381 16.8381 17.9436 17.9436 17.9436 17.9436 k = 0.0608 0.0725 0.5920 ( 3664 PWs) bands (ev): 3.6087 3.6087 3.6087 3.6087 5.8949 5.8949 5.8949 5.8949 6.2377 6.2377 6.2377 6.2377 8.9154 8.9154 8.9154 8.9154 10.0258 10.0258 10.0258 10.0258 10.8715 10.8715 10.8715 10.8715 12.7213 12.7213 12.7213 12.7213 12.9163 12.9163 12.9163 12.9163 13.8608 13.8608 13.8608 13.8608 14.5757 14.5757 14.5757 14.5757 15.3445 15.3445 15.3445 15.3445 15.9111 15.9111 15.9111 15.9111 16.8185 16.8185 16.8185 16.8185 17.9549 17.9549 17.9549 17.9549 k = 0.0507 0.0605 0.5920 ( 3652 PWs) bands (ev): 3.5994 3.5994 3.5994 3.5994 5.9028 5.9028 5.9028 5.9028 6.2555 6.2555 6.2555 6.2555 8.8942 8.8942 8.8942 8.8942 10.0337 10.0337 10.0337 10.0337 10.8541 10.8541 10.8541 10.8541 12.7222 12.7222 12.7222 12.7222 12.9276 12.9276 12.9276 12.9276 13.8637 13.8637 13.8637 13.8637 14.5683 14.5683 14.5683 14.5683 15.3556 15.3556 15.3556 15.3556 15.9227 15.9227 15.9227 15.9227 16.8014 16.8014 16.8014 16.8014 17.9658 17.9658 17.9658 17.9658 k = 0.0405 0.0484 0.5920 ( 3652 PWs) bands (ev): 3.5919 3.5919 3.5919 3.5919 5.9093 5.9093 5.9093 5.9093 6.2704 6.2704 6.2704 6.2704 8.8765 8.8765 8.8765 8.8765 10.0401 10.0401 10.0401 10.0401 10.8398 10.8398 10.8398 10.8398 12.7229 12.7229 12.7229 12.7229 12.9367 12.9367 12.9367 12.9367 13.8661 13.8661 13.8661 13.8661 14.5620 14.5620 14.5620 14.5620 15.3650 15.3650 15.3650 15.3650 15.9324 15.9324 15.9324 15.9324 16.7872 16.7872 16.7872 16.7872 17.9761 17.9761 17.9761 17.9761 k = 0.0304 0.0363 0.5920 ( 3654 PWs) bands (ev): 3.5859 3.5859 3.5859 3.5859 5.9145 5.9145 5.9145 5.9145 6.2822 6.2822 6.2822 6.2822 8.8625 8.8625 8.8625 8.8625 10.0451 10.0451 10.0451 10.0451 10.8285 10.8285 10.8285 10.8285 12.7235 12.7235 12.7235 12.7235 12.9438 12.9438 12.9438 12.9438 13.8680 13.8680 13.8680 13.8680 14.5570 14.5570 14.5570 14.5570 15.3725 15.3725 15.3725 15.3725 15.9400 15.9400 15.9400 15.9400 16.7759 16.7759 16.7759 16.7759 17.9858 17.9858 17.9858 17.9858 k = 0.0203 0.0242 0.5920 ( 3656 PWs) bands (ev): 3.5817 3.5817 3.5817 3.5817 5.9182 5.9182 5.9182 5.9182 6.2907 6.2907 6.2907 6.2907 8.8524 8.8524 8.8524 8.8524 10.0487 10.0487 10.0487 10.0487 10.8204 10.8204 10.8204 10.8204 12.7240 12.7240 12.7240 12.7240 12.9489 12.9489 12.9489 12.9489 13.8693 13.8693 13.8693 13.8693 14.5534 14.5534 14.5534 14.5534 15.3781 15.3781 15.3781 15.3781 15.9455 15.9455 15.9455 15.9455 16.7678 16.7678 16.7678 16.7678 17.9946 17.9946 17.9946 17.9946 k = 0.0101 0.0121 0.5920 ( 3666 PWs) bands (ev): 3.5792 3.5792 3.5792 3.5792 5.9204 5.9204 5.9204 5.9204 6.2959 6.2959 6.2959 6.2959 8.8463 8.8463 8.8463 8.8463 10.0508 10.0508 10.0508 10.0508 10.8155 10.8155 10.8155 10.8155 12.7243 12.7243 12.7243 12.7243 12.9519 12.9519 12.9519 12.9519 13.8701 13.8701 13.8701 13.8701 14.5512 14.5512 14.5512 14.5512 15.3814 15.3814 15.3814 15.3814 15.9489 15.9489 15.9489 15.9489 16.7628 16.7628 16.7628 16.7628 18.0014 18.0014 18.0014 18.0015 k = 0.0000 0.0000 0.5920 ( 3666 PWs) bands (ev): 3.5783 3.5783 3.5783 3.5783 5.9212 5.9212 5.9212 5.9212 6.2976 6.2976 6.2976 6.2976 8.8442 8.8442 8.8442 8.8442 10.0515 10.0515 10.0515 10.0515 10.8139 10.8139 10.8139 10.8139 12.7244 12.7244 12.7244 12.7244 12.9529 12.9529 12.9529 12.9529 13.8703 13.8703 13.8703 13.8703 14.5504 14.5504 14.5504 14.5504 15.3826 15.3826 15.3826 15.3826 15.9500 15.9500 15.9500 15.9500 16.7612 16.7612 16.7612 16.7612 18.0043 18.0043 18.0043 18.0043 k = 0.0000 0.0000 0.5920 ( 3666 PWs) bands (ev): 3.5783 3.5783 3.5783 3.5783 5.9212 5.9212 5.9212 5.9212 6.2976 6.2976 6.2976 6.2976 8.8442 8.8442 8.8442 8.8442 10.0515 10.0515 10.0515 10.0515 10.8139 10.8139 10.8139 10.8139 12.7244 12.7244 12.7244 12.7244 12.9529 12.9529 12.9529 12.9529 13.8703 13.8703 13.8703 13.8703 14.5504 14.5504 14.5504 14.5504 15.3826 15.3826 15.3826 15.3826 15.9500 15.9500 15.9500 15.9500 16.7612 16.7612 16.7612 16.7612 18.0043 18.0043 18.0043 18.0043 k = 0.0000 0.0000 0.5764 ( 3662 PWs) bands (ev): 3.4936 3.4936 3.6645 3.6645 5.8598 5.8598 5.9844 5.9844 6.2255 6.2255 6.3706 6.3706 8.7585 8.7585 8.9330 8.9330 9.9813 9.9813 10.1224 10.1224 10.7333 10.7333 10.8946 10.8946 12.6949 12.6949 12.7539 12.7539 12.9087 12.9087 12.9961 12.9961 13.8348 13.8348 13.9040 13.9040 14.5423 14.5423 14.5583 14.5583 15.3598 15.3598 15.4011 15.4011 15.8800 15.8800 16.0025 16.0025 16.7061 16.7061 16.8290 16.8290 17.8943 17.8943 17.9240 17.9240 k = 0.0000 0.0000 0.5608 ( 3666 PWs) bands (ev): 3.4103 3.4103 3.7519 3.7519 5.8004 5.8004 6.0494 6.0494 6.1544 6.1544 6.4443 6.4443 8.6761 8.6761 9.0247 9.0247 9.9118 9.9118 10.1937 10.1937 10.6535 10.6535 10.9748 10.9748 12.6654 12.6654 12.7828 12.7828 12.8648 12.8648 13.0372 13.0372 13.7975 13.7975 13.9357 13.9357 14.5339 14.5339 14.5655 14.5655 15.3337 15.3337 15.4144 15.4144 15.7947 15.7947 16.0376 16.0376 16.6609 16.6609 16.9103 16.9103 17.7724 17.7724 17.8313 17.8313 k = 0.0000 0.0000 0.5452 ( 3664 PWs) bands (ev): 3.3288 3.3288 3.8404 3.8404 5.7434 5.7434 6.0843 6.0843 6.1161 6.1161 6.5182 6.5182 8.5974 8.5974 9.1190 9.1190 9.8432 9.8432 10.2655 10.2655 10.5751 10.5751 11.0535 11.0535 12.6361 12.6361 12.8051 12.8051 12.8282 12.8282 13.0754 13.0754 13.7587 13.7587 13.9655 13.9655 14.5255 14.5255 14.5718 14.5718 15.3051 15.3051 15.4217 15.4217 15.6972 15.6972 16.0570 16.0570 16.6215 16.6215 17.0040 17.0040 17.6562 17.6562 17.7434 17.7434 k = 0.0000 0.0000 0.5296 ( 3674 PWs) bands (ev): 3.2490 3.2490 3.9296 3.9296 5.6890 5.6890 6.0159 6.0159 6.1838 6.1838 6.5922 6.5922 8.5227 8.5227 9.2157 9.2157 9.7755 9.7755 10.3375 10.3375 10.4982 10.4982 11.1295 11.1295 12.6070 12.6070 12.7755 12.7755 12.8452 12.8452 13.1094 13.1094 13.7189 13.7189 13.9934 13.9934 14.5170 14.5170 14.5769 14.5769 15.2750 15.2750 15.4224 15.4224 15.5912 15.5912 16.0636 16.0636 16.5842 16.5842 17.1079 17.1079 17.5477 17.5477 17.6600 17.6600 k = 0.0000 0.0000 0.5141 ( 3682 PWs) bands (ev): 3.1711 3.1711 4.0191 4.0191 5.6376 5.6376 5.9488 5.9488 6.2529 6.2529 6.6656 6.6656 8.4526 8.4526 9.3148 9.3148 9.7087 9.7087 10.4096 10.4096 10.4235 10.4235 11.2014 11.2014 12.5782 12.5782 12.7379 12.7379 12.8735 12.8735 13.1378 13.1378 13.6791 13.6791 14.0193 14.0193 14.5085 14.5085 14.5800 14.5800 15.2442 15.2442 15.4160 15.4160 15.4797 15.4797 16.0605 16.0605 16.5459 16.5459 17.2195 17.2195 17.4481 17.4482 17.5809 17.5809 k = 0.0000 0.0000 0.4985 ( 3684 PWs) bands (ev): 3.0950 3.0950 4.1086 4.1086 5.5897 5.5897 5.8833 5.8833 6.3232 6.3232 6.7379 6.7379 8.3877 8.3877 9.4161 9.4161 9.6431 9.6431 10.3507 10.3507 10.4818 10.4818 11.2673 11.2673 12.5499 12.5499 12.7047 12.7047 12.9022 12.9022 13.1586 13.1586 13.6407 13.6407 14.0434 14.0434 14.5002 14.5002 14.5803 14.5803 15.2137 15.2137 15.3658 15.3658 15.4023 15.4023 16.0501 16.0501 16.5046 16.5046 17.3350 17.3350 17.3600 17.3600 17.5060 17.5060 k = 0.0000 0.0000 0.4829 ( 3684 PWs) bands (ev): 3.0210 3.0210 4.1972 4.1972 5.5461 5.5461 5.8194 5.8194 6.3944 6.3944 6.8082 6.8082 8.3288 8.3288 9.5192 9.5192 9.5787 9.5787 10.2806 10.2806 10.5535 10.5535 11.3251 11.3251 12.5220 12.5220 12.6784 12.6784 12.9307 12.9307 13.1694 13.1694 13.6058 13.6058 14.0658 14.0658 14.4920 14.4920 14.5759 14.5759 15.1834 15.1834 15.2537 15.2537 15.3811 15.3811 16.0346 16.0346 16.4593 16.4593 17.2795 17.2795 17.4348 17.4348 17.4574 17.4574 k = 0.0000 0.0000 0.4673 ( 3683 PWs) bands (ev): 2.9489 2.9489 4.2842 4.2842 5.5075 5.5075 5.7571 5.7571 6.4665 6.4665 6.8756 6.8756 8.2770 8.2770 9.5153 9.5153 9.6245 9.6245 10.2132 10.2132 10.6245 10.6245 11.3727 11.3727 12.4947 12.4947 12.6612 12.6612 12.9588 12.9588 13.1673 13.1673 13.5768 13.5768 14.0866 14.0866 14.4840 14.4840 14.5640 14.5640 15.1356 15.1356 15.1656 15.1656 15.3531 15.3531 16.0154 16.0154 16.4099 16.4099 17.2118 17.2118 17.3676 17.3676 17.5797 17.5797 k = 0.0000 0.0000 0.4518 ( 3675 PWs) bands (ev): 2.8790 2.8790 4.3681 4.3681 5.4753 5.4753 5.6966 5.6966 6.5393 6.5393 6.9387 6.9387 8.2334 8.2334 9.4535 9.4535 9.7313 9.7313 10.1485 10.1485 10.6943 10.6943 11.4080 11.4080 12.4680 12.4680 12.6552 12.6552 12.9864 12.9864 13.1501 13.1501 13.5558 13.5558 14.1059 14.1059 14.4762 14.4762 14.5402 14.5402 15.0416 15.0416 15.1362 15.1362 15.3192 15.3192 15.9938 15.9938 16.3565 16.3565 17.1551 17.1551 17.3038 17.3038 17.7030 17.7030 k = 0.0000 0.0000 0.4362 ( 3671 PWs) bands (ev): 2.8111 2.8111 4.4474 4.4474 5.4512 5.4512 5.6380 5.6380 6.6126 6.6126 6.9960 6.9960 8.1998 8.1998 9.3933 9.3933 9.8395 9.8395 10.0868 10.0868 10.7619 10.7619 11.4297 11.4297 12.4421 12.4421 12.6615 12.6615 13.0134 13.0134 13.1170 13.1170 13.5433 13.5433 14.1238 14.1238 14.4679 14.4679 14.4986 14.4986 14.9599 14.9599 15.1144 15.1144 15.2807 15.2807 15.9705 15.9705 16.2998 16.2998 17.1090 17.1090 17.2433 17.2433 17.8258 17.8258 k = 0.0000 0.0000 0.4206 ( 3679 PWs) bands (ev): 2.7453 2.7453 4.5197 4.5197 5.4372 5.4372 5.5813 5.5813 6.6863 6.6863 7.0458 7.0458 8.1777 8.1777 9.3346 9.3346 9.9491 9.9491 10.0282 10.0282 10.8261 10.8261 11.4381 11.4381 12.4171 12.4171 12.6805 12.6805 13.0390 13.0390 13.0702 13.0702 13.5376 13.5376 14.1402 14.1402 14.4304 14.4304 14.4632 14.4632 14.8998 14.8998 15.0965 15.0965 15.2396 15.2396 15.9463 15.9463 16.2406 16.2406 17.0726 17.0726 17.1858 17.1858 17.9472 17.9472 k = 0.0000 0.0000 0.4050 ( 3681 PWs) bands (ev): 2.6818 2.6818 4.5823 4.5823 5.4359 5.4359 5.5270 5.5270 6.7601 6.7601 7.0862 7.0862 8.1691 8.1691 9.2777 9.2777 9.9728 9.9728 10.0599 10.0599 10.8847 10.8847 11.4353 11.4353 12.3930 12.3930 12.7112 12.7112 13.0089 13.0089 13.0665 13.0665 13.5364 13.5364 14.1556 14.1556 14.3430 14.3430 14.4553 14.4553 14.8615 14.8615 15.0824 15.0824 15.1981 15.1981 15.9215 15.9215 16.1798 16.1798 17.0449 17.0449 17.1315 17.1315 18.0657 18.0657 k = 0.0000 0.0000 0.3894 ( 3677 PWs) bands (ev): 2.6204 2.6204 4.6327 4.6327 5.4460 5.4460 5.4788 5.4788 6.8340 6.8340 7.1159 7.1159 8.1753 8.1753 9.2227 9.2227 9.9207 9.9207 10.1715 10.1715 10.9339 10.9339 11.4261 11.4261 12.3700 12.3700 12.7513 12.7513 12.9405 12.9405 13.0909 13.0909 13.5374 13.5374 14.1693 14.1693 14.2386 14.2386 14.4484 14.4484 14.8399 14.8399 15.0712 15.0712 15.1590 15.1590 15.8967 15.8967 16.1179 16.1179 17.0237 17.0237 17.0813 17.0813 18.1728 18.1729 k = 0.0000 0.0000 0.3739 ( 3687 PWs) bands (ev): 2.5613 2.5613 4.6688 4.6688 5.4176 5.4176 5.4887 5.4887 6.9076 6.9076 7.1343 7.1343 8.1968 8.1968 9.1696 9.1696 9.8721 9.8721 10.2838 10.2838 10.9676 10.9676 11.4182 11.4182 12.3482 12.3482 12.7979 12.7979 12.8645 12.8645 13.1143 13.1143 13.5388 13.5388 14.1183 14.1183 14.1873 14.1873 14.4418 14.4418 14.8288 14.8288 15.0611 15.0611 15.1266 15.1266 15.8722 15.8722 16.0556 16.0556 17.0021 17.0021 17.0410 17.0410 18.2412 18.2412 k = 0.0000 0.0000 0.3583 ( 3691 PWs) bands (ev): 2.5044 2.5044 4.6906 4.6906 5.3698 5.3698 5.5376 5.5376 6.9807 6.9807 7.1415 7.1415 8.2335 8.2335 9.1187 9.1187 9.8270 9.8270 10.3965 10.3965 10.9781 10.9781 11.4210 11.4210 12.3279 12.3279 12.7822 12.7822 12.8480 12.8480 13.1361 13.1361 13.5398 13.5398 13.9966 13.9966 14.2003 14.2003 14.4355 14.4355 14.8243 14.8243 15.0485 15.0485 15.1068 15.1068 15.8481 15.8481 15.9936 15.9936 16.9660 16.9660 17.0235 17.0235 18.3076 18.3076 k = 0.0000 0.0000 0.3427 ( 3695 PWs) bands (ev): 2.4498 2.4498 4.6996 4.6996 5.3228 5.3228 5.6038 5.6038 7.0530 7.0530 7.1390 7.1390 8.2841 8.2841 9.0701 9.0701 9.7857 9.7857 10.5092 10.5092 10.9606 10.9606 11.4411 11.4411 12.3092 12.3092 12.6955 12.6955 12.8977 12.8977 13.1557 13.1557 13.5396 13.5396 13.8710 13.8710 14.2144 14.2144 14.4295 14.4295 14.8238 14.8238 15.0336 15.0336 15.1015 15.1015 15.8248 15.8248 15.9323 15.9323 16.9222 16.9222 17.0210 17.0210 18.2994 18.2994 k = 0.0000 0.0000 0.3271 ( 3687 PWs) bands (ev): 2.3975 2.3975 4.6983 4.6983 5.2776 5.2776 5.6838 5.6838 7.1213 7.1213 7.1312 7.1312 8.3468 8.3468 9.0239 9.0239 9.7483 9.7483 10.6215 10.6215 10.9166 10.9166 11.4782 11.4782 12.2924 12.2924 12.6048 12.6048 12.9443 12.9443 13.1717 13.1717 13.5380 13.5380 13.7454 13.7454 14.2291 14.2291 14.4237 14.4237 14.8257 14.8257 15.0228 15.0228 15.1061 15.1061 15.8023 15.8023 15.8722 15.8722 16.8777 16.8777 17.0256 17.0256 18.2787 18.2787 k = 0.0000 0.0000 0.3116 ( 3687 PWs) bands (ev): 2.3475 2.3475 4.6895 4.6895 5.2343 5.2343 5.7748 5.7748 7.1107 7.1107 7.1947 7.1947 8.4197 8.4197 8.9803 8.9803 9.7149 9.7149 10.7328 10.7328 10.8522 10.8522 11.5276 11.5276 12.2777 12.2777 12.5109 12.5109 12.9853 12.9853 13.1809 13.1809 13.5349 13.5349 13.6236 13.6236 14.2442 14.2442 14.4182 14.4182 14.8291 14.8291 15.0216 15.0216 15.1170 15.1170 15.7809 15.7809 15.8134 15.8134 16.8340 16.8340 17.0353 17.0353 18.2588 18.2588 k = 0.0000 0.0000 0.2960 ( 3687 PWs) bands (ev): 2.2998 2.2998 4.6756 4.6756 5.1930 5.1930 5.8742 5.8742 7.0894 7.0894 7.2628 7.2628 8.5010 8.5010 8.9393 8.9393 9.6857 9.6857 10.7723 10.7723 10.8432 10.8432 11.5845 11.5845 12.2655 12.2655 12.4144 12.4144 13.0187 13.0187 13.1763 13.1763 13.5132 13.5132 13.5309 13.5309 14.2593 14.2593 14.4128 14.4128 14.8334 14.8334 15.0334 15.0334 15.1324 15.1324 15.7563 15.7563 15.7607 15.7607 16.7912 16.7912 17.0490 17.0490 18.2400 18.2400 k = 0.0000 0.0000 0.2804 ( 3691 PWs) bands (ev): 2.2545 2.2545 4.6583 4.6583 5.1537 5.1537 5.9803 5.9803 7.0649 7.0649 7.3287 7.3287 8.5892 8.5892 8.9011 8.9011 9.6611 9.6611 10.6821 10.6821 10.9508 10.9508 11.6456 11.6456 12.2563 12.2563 12.3159 12.3159 13.0431 13.0431 13.1427 13.1427 13.4309 13.4309 13.5249 13.5249 14.2738 14.2738 14.4076 14.4076 14.8382 14.8382 15.0599 15.0599 15.1516 15.1516 15.7013 15.7013 15.7417 15.7417 16.7495 16.7495 17.0663 17.0663 18.2226 18.2226 k = 0.0000 0.0000 0.2648 ( 3691 PWs) bands (ev): 2.2116 2.2116 4.6390 4.6390 5.1164 5.1164 6.0915 6.0915 7.0387 7.0387 7.3921 7.3921 8.6830 8.6830 8.8659 8.8659 9.6412 9.6412 10.5833 10.5833 11.0555 11.0555 11.7090 11.7090 12.2153 12.2153 12.2511 12.2511 13.0564 13.0564 13.0685 13.0685 13.3893 13.3893 13.5182 13.5182 14.2871 14.2871 14.4026 14.4026 14.8433 14.8433 15.1018 15.1018 15.1745 15.1745 15.6484 15.6484 15.7242 15.7242 16.7088 16.7088 17.0866 17.0866 18.2063 18.2063 k = 0.0000 0.0000 0.2492 ( 3699 PWs) bands (ev): 2.1710 2.1710 4.6187 4.6187 5.0812 5.0812 6.2070 6.2070 7.0115 7.0115 7.4525 7.4525 8.7811 8.7811 8.8341 8.8341 9.6262 9.6262 10.4778 10.4778 11.1562 11.1562 11.7733 11.7733 12.1141 12.1141 12.2497 12.2497 12.9583 12.9583 13.0647 13.0647 13.3785 13.3785 13.5106 13.5106 14.2985 14.2985 14.3977 14.3977 14.8484 14.8484 15.1564 15.1564 15.2035 15.2035 15.5978 15.5978 15.7083 15.7083 16.6690 16.6690 17.1097 17.1097 18.1912 18.1912 k = 0.0000 0.0000 0.2337 ( 3695 PWs) bands (ev): 2.1328 2.1328 4.5980 4.5980 5.0480 5.0480 6.3259 6.3259 6.9842 6.9842 7.5094 7.5094 8.8040 8.8040 8.8845 8.8845 9.6166 9.6166 10.3668 10.3668 11.2515 11.2515 11.8377 11.8377 12.0120 12.0120 12.2536 12.2536 12.8351 12.8351 13.0625 13.0625 13.3821 13.3821 13.5024 13.5024 14.3077 14.3077 14.3929 14.3929 14.8535 14.8535 15.2065 15.2065 15.2546 15.2546 15.5498 15.5498 15.6939 15.6939 16.6303 16.6303 17.1353 17.1353 18.1772 18.1772 k = 0.0000 0.0000 0.2181 ( 3697 PWs) bands (ev): 2.0971 2.0971 4.5776 4.5776 5.0170 5.0170 6.4477 6.4477 6.9572 6.9572 7.5624 7.5624 8.7781 8.7781 8.9900 8.9900 9.6124 9.6124 10.2512 10.2512 11.3401 11.3401 11.8996 11.8996 11.9118 11.9118 12.2636 12.2636 12.7051 12.7051 13.0533 13.0533 13.3915 13.3915 13.4939 13.4939 14.3147 14.3147 14.3882 14.3882 14.8583 14.8583 15.2399 15.2399 15.3383 15.3383 15.5044 15.5044 15.6813 15.6813 16.5925 16.5925 17.1629 17.1629 18.1643 18.1643 k = 0.0000 0.0000 0.2025 ( 3693 PWs) bands (ev): 2.0637 2.0637 4.5576 4.5576 4.9880 4.9880 6.5718 6.5718 6.9311 6.9311 7.6112 7.6112 8.7552 8.7552 9.0984 9.0984 9.6140 9.6140 10.1318 10.1318 11.4204 11.4204 11.8069 11.8069 11.9653 11.9653 12.2809 12.2809 12.5720 12.5720 13.0381 13.0381 13.4034 13.4034 13.4852 13.4852 14.3195 14.3195 14.3836 14.3836 14.8628 14.8628 15.2697 15.2697 15.4394 15.4394 15.4619 15.4619 15.6706 15.6706 16.5559 16.5559 17.1923 17.1923 18.1521 18.1521 k = 0.0000 0.0000 0.1869 ( 3685 PWs) bands (ev): 2.0328 2.0328 4.5385 4.5385 4.9612 4.9612 6.6980 6.6980 6.9061 6.9061 7.6554 7.6554 8.7353 8.7353 9.2091 9.2091 9.6215 9.6215 10.0091 10.0091 11.4911 11.4911 11.7051 11.7051 12.0272 12.0272 12.3061 12.3061 12.4376 12.4376 13.0182 13.0182 13.4161 13.4161 13.4765 13.4765 14.3225 14.3225 14.3790 14.3790 14.8670 14.8670 15.2989 15.2989 15.4221 15.4221 15.5526 15.5526 15.6621 15.6621 16.5202 16.5202 17.2230 17.2230 18.1389 18.1389 k = 0.0000 0.0000 0.1714 ( 3689 PWs) bands (ev): 2.0044 2.0044 4.5204 4.5204 4.9364 4.9364 6.8257 6.8257 6.8828 6.8828 7.6948 7.6948 8.7182 8.7182 9.3218 9.3218 9.6350 9.6350 9.8836 9.8836 11.5509 11.5509 11.6044 11.6044 12.0877 12.0877 12.3024 12.3024 12.3400 12.3400 12.9945 12.9945 13.4288 13.4288 13.4679 13.4679 14.3240 14.3240 14.3745 14.3745 14.8708 14.8708 15.3279 15.3279 15.3854 15.3854 15.6506 15.6506 15.6802 15.6802 16.4857 16.4857 17.2546 17.2546 18.0752 18.0753 k = 0.0000 0.0000 0.1558 ( 3689 PWs) bands (ev): 1.9783 1.9783 4.5036 4.5036 4.9138 4.9138 6.8602 6.8602 6.9556 6.9556 7.7293 7.7293 8.7038 8.7038 9.4360 9.4360 9.6544 9.6544 9.7561 9.7561 11.5046 11.5046 11.6005 11.6005 12.1458 12.1458 12.1687 12.1687 12.3811 12.3811 12.9681 12.9681 13.4410 13.4410 13.4598 13.4598 14.3241 14.3241 14.3700 14.3700 14.8741 14.8741 15.3499 15.3499 15.3585 15.3585 15.6485 15.6485 15.8080 15.8080 16.4527 16.4527 17.2865 17.2865 17.9587 17.9588 k = 0.0000 0.0000 0.1402 ( 3697 PWs) bands (ev): 1.9548 1.9548 4.4880 4.4880 4.8934 4.8934 6.8400 6.8400 7.0859 7.0859 7.7590 7.7590 8.6919 8.6919 9.5510 9.5510 9.6257 9.6257 9.6806 9.6806 11.4073 11.4073 11.6393 11.6393 12.0335 12.0335 12.2040 12.2040 12.4289 12.4289 12.9395 12.9395 13.4498 13.4498 13.4549 13.4549 14.3231 14.3231 14.3656 14.3656 14.8769 14.8769 15.3209 15.3209 15.3853 15.3853 15.6455 15.6455 15.9444 15.9444 16.4211 16.4211 17.3175 17.3175 17.8422 17.8422 k = 0.0000 0.0000 0.1246 ( 3693 PWs) bands (ev): 1.9337 1.9337 4.4739 4.4739 4.8750 4.8750 6.8216 6.8216 7.2171 7.2171 7.7842 7.7842 8.6821 8.6821 9.4952 9.4952 9.6645 9.6645 9.7130 9.7130 11.3127 11.3127 11.6692 11.6692 11.9007 11.9007 12.2591 12.2591 12.4808 12.4808 12.9093 12.9093 13.4441 13.4441 13.4642 13.4642 14.3213 14.3213 14.3615 14.3615 14.8793 14.8793 15.2937 15.2937 15.4125 15.4125 15.6442 15.6442 16.0854 16.0854 16.3916 16.3916 17.3466 17.3466 17.7300 17.7300 k = 0.0000 0.0000 0.1090 ( 3689 PWs) bands (ev): 1.9150 1.9150 4.4613 4.4613 4.8589 4.8589 6.8052 6.8052 7.3486 7.3486 7.8050 7.8050 8.6742 8.6742 9.3637 9.3637 9.7388 9.7388 9.7896 9.7896 11.2218 11.2218 11.6915 11.6915 11.7695 11.7695 12.3123 12.3123 12.5345 12.5345 12.8779 12.8779 13.4376 13.4376 13.4740 13.4740 14.3188 14.3188 14.3577 14.3577 14.8812 14.8812 15.2696 15.2696 15.4386 15.4386 15.6445 15.6445 16.2282 16.2282 16.3653 16.3653 17.3720 17.3720 17.6244 17.6244 k = 0.0000 0.0000 0.0935 ( 3685 PWs) bands (ev): 1.8989 1.8989 4.4503 4.4503 4.8448 4.8448 6.7909 6.7909 7.4800 7.4800 7.8219 7.8219 8.6680 8.6680 9.2320 9.2320 9.7788 9.7788 9.9031 9.9031 11.1357 11.1357 11.6408 11.6408 11.7079 11.7079 12.3634 12.3634 12.5871 12.5871 12.8455 12.8455 13.4318 13.4318 13.4827 13.4827 14.3159 14.3159 14.3542 14.3542 14.8827 14.8827 15.2489 15.2489 15.4629 15.4629 15.6461 15.6461 16.3284 16.3284 16.3852 16.3852 17.3913 17.3913 17.5276 17.5276 k = 0.0000 0.0000 0.0779 ( 3681 PWs) bands (ev): 1.8852 1.8852 4.4409 4.4409 4.8329 4.8329 6.7786 6.7786 7.6103 7.6103 7.8354 7.8354 8.6631 8.6631 9.1013 9.1013 9.8185 9.8185 10.0166 10.0166 11.0558 11.0558 11.5159 11.5159 11.7197 11.7197 12.4125 12.4125 12.6362 12.6362 12.8123 12.8123 13.4267 13.4267 13.4901 13.4901 14.3126 14.3126 14.3513 14.3513 14.8838 14.8838 15.2314 15.2314 15.4849 15.4849 15.6486 15.6486 16.3118 16.3118 16.5243 16.5243 17.4009 17.4009 17.4419 17.4419 k = 0.0000 0.0000 0.0623 ( 3683 PWs) bands (ev): 1.8740 1.8740 4.4332 4.4332 4.8232 4.8232 6.7685 6.7685 7.7382 7.7382 7.8457 7.8457 8.6594 8.6594 8.9729 8.9729 9.8575 9.8575 10.1268 10.1268 10.9841 10.9841 11.3966 11.3966 11.7281 11.7281 12.4596 12.4596 12.6795 12.6795 12.7784 12.7784 13.4225 13.4225 13.4962 13.4962 14.3094 14.3094 14.3488 14.3488 14.8845 14.8845 15.2171 15.2171 15.5041 15.5041 15.6517 15.6517 16.2928 16.2928 16.6662 16.6662 17.3666 17.3666 17.3997 17.3997 k = 0.0000 0.0000 0.0467 ( 3675 PWs) bands (ev): 1.8652 1.8652 4.4271 4.4271 4.8156 4.8156 6.7607 6.7607 7.8527 7.8527 7.8614 7.8614 8.6567 8.6567 8.8498 8.8498 9.8932 9.8932 10.2298 10.2298 10.9232 10.9232 11.2865 11.2865 11.7339 11.7339 12.5048 12.5048 12.7138 12.7138 12.7450 12.7450 13.4192 13.4192 13.5012 13.5012 14.3065 14.3065 14.3468 14.3468 14.8850 14.8850 15.2061 15.2061 15.5199 15.5199 15.6548 15.6548 16.2771 16.2771 16.8030 16.8030 17.3077 17.3077 17.3799 17.3799 k = 0.0000 0.0000 0.0312 ( 3675 PWs) bands (ev): 1.8590 1.8590 4.4228 4.4228 4.8102 4.8102 6.7550 6.7550 7.8583 7.8583 7.9726 7.9726 8.6548 8.6548 8.7378 8.7378 9.9226 9.9226 10.3193 10.3193 10.8762 10.8762 11.1918 11.1918 11.7376 11.7376 12.5479 12.5479 12.7047 12.7047 12.7449 12.7449 13.4168 13.4168 13.5047 13.5047 14.3041 14.3041 14.3454 14.3454 14.8853 14.8853 15.1983 15.1983 15.5318 15.5318 15.6575 15.6575 16.2654 16.2654 16.9302 16.9302 17.2640 17.2640 17.3416 17.3416 k = 0.0000 0.0000 0.0156 ( 3683 PWs) bands (ev): 1.8553 1.8553 4.4202 4.4202 4.8070 4.8070 6.7516 6.7516 7.8614 7.8614 8.0595 8.0595 8.6496 8.6496 8.6548 8.6548 9.9420 9.9420 10.3838 10.3838 10.8462 10.8462 11.1240 11.1240 11.7396 11.7396 12.5890 12.5890 12.6688 12.6688 12.7605 12.7605 13.4154 13.4154 13.5068 13.5068 14.3026 14.3026 14.3446 14.3446 14.8855 14.8855 15.1936 15.1936 15.5391 15.5391 15.6592 15.6592 16.2581 16.2581 17.0387 17.0387 17.2373 17.2373 17.2885 17.2885 k = 0.0000 0.0000 0.0000 ( 3691 PWs) bands (ev): 1.8540 1.8540 4.4193 4.4193 4.8059 4.8059 6.7505 6.7505 7.8623 7.8623 8.0949 8.0949 8.6150 8.6150 8.6535 8.6535 9.9489 9.9489 10.4081 10.4081 10.8360 10.8360 11.0984 11.0984 11.7403 11.7403 12.6219 12.6219 12.6376 12.6376 12.7659 12.7659 13.4149 13.4149 13.5075 13.5075 14.3020 14.3020 14.3443 14.3443 14.8855 14.8855 15.1920 15.1920 15.5416 15.5416 15.6598 15.6598 16.2556 16.2556 17.0939 17.0939 17.2284 17.2284 17.2520 17.2520 k = 0.0000 0.0000 0.0000 ( 3691 PWs) bands (ev): 1.8540 1.8540 4.4193 4.4193 4.8059 4.8059 6.7505 6.7505 7.8623 7.8623 8.0949 8.0949 8.6150 8.6150 8.6535 8.6535 9.9489 9.9489 10.4081 10.4081 10.8360 10.8360 11.0984 11.0984 11.7403 11.7403 12.6219 12.6219 12.6376 12.6376 12.7659 12.7659 13.4149 13.4149 13.5075 13.5075 14.3020 14.3020 14.3443 14.3443 14.8855 14.8855 15.1920 15.1920 15.5416 15.5416 15.6598 15.6598 16.2556 16.2556 17.0939 17.0939 17.2284 17.2284 17.2520 17.2520 k =-0.0119 0.0100 0.0000 ( 3679 PWs) bands (ev): 1.8550 1.8550 4.4179 4.4179 4.8048 4.8048 6.7524 6.7524 7.8633 7.8633 8.0958 8.0958 8.6155 8.6155 8.6502 8.6502 9.9482 9.9482 10.4072 10.4072 10.8357 10.8357 11.0963 11.0963 11.7421 11.7421 12.6242 12.6242 12.6387 12.6387 12.7676 12.7676 13.4152 13.4152 13.5077 13.5077 14.3025 14.3025 14.3434 14.3434 14.8855 14.8855 15.1914 15.1914 15.5408 15.5408 15.6609 15.6609 16.2550 16.2550 17.0905 17.0905 17.2290 17.2290 17.2531 17.2531 k =-0.0238 0.0200 0.0000 ( 3683 PWs) bands (ev): 1.8580 1.8580 4.4137 4.4137 4.8015 4.8015 6.7583 6.7583 7.8660 7.8660 8.0983 8.0983 8.6170 8.6170 8.6403 8.6403 9.9460 9.9460 10.4046 10.4046 10.8346 10.8346 11.0896 11.0896 11.7474 11.7474 12.6313 12.6313 12.6419 12.6419 12.7725 12.7725 13.4160 13.4160 13.5080 13.5080 14.3033 14.3033 14.3410 14.3410 14.8854 14.8854 15.1897 15.1897 15.5385 15.5385 15.6637 15.6637 16.2531 16.2531 17.0804 17.0804 17.2306 17.2306 17.2562 17.2562 k =-0.0357 0.0299 0.0000 ( 3679 PWs) bands (ev): 1.8630 1.8630 4.4066 4.4066 4.7959 4.7959 6.7680 6.7680 7.8705 7.8705 8.1026 8.1026 8.6187 8.6187 8.6247 8.6247 9.9425 9.9425 10.4003 10.4003 10.8330 10.8330 11.0787 11.0787 11.7560 11.7560 12.6427 12.6427 12.6473 12.6473 12.7807 12.7807 13.4175 13.4175 13.5086 13.5086 14.3024 14.3024 14.3392 14.3392 14.8853 14.8853 15.1872 15.1872 15.5350 15.5350 15.6682 15.6682 16.2499 16.2499 17.0636 17.0636 17.2333 17.2333 17.2612 17.2612 k =-0.0476 0.0399 0.0000 ( 3677 PWs) bands (ev): 1.8700 1.8700 4.3969 4.3969 4.7883 4.7883 6.7814 6.7814 7.8766 7.8766 8.1085 8.1085 8.6011 8.6011 8.6236 8.6236 9.9376 9.9376 10.3944 10.3944 10.8307 10.8307 11.0637 11.0637 11.7676 11.7676 12.6541 12.6541 12.6591 12.6591 12.7921 12.7921 13.4196 13.4196 13.5095 13.5095 14.2965 14.2965 14.3409 14.3409 14.8848 14.8848 15.1843 15.1843 15.5306 15.5306 15.6741 15.6741 16.2454 16.2454 17.0405 17.0405 17.2371 17.2371 17.2681 17.2681 k =-0.0595 0.0499 0.0000 ( 3677 PWs) bands (ev): 1.8789 1.8789 4.3847 4.3847 4.7784 4.7784 6.7983 6.7983 7.8838 7.8838 8.1160 8.1160 8.5735 8.5735 8.6280 8.6280 9.9313 9.9313 10.3869 10.3869 10.8278 10.8278 11.0449 11.0449 11.7818 11.7818 12.6633 12.6633 12.6789 12.6789 12.8066 12.8066 13.4225 13.4225 13.5105 13.5105 14.2839 14.2839 14.3472 14.3472 14.8842 14.8842 15.1817 15.1817 15.5255 15.5255 15.6812 15.6812 16.2397 16.2397 17.0114 17.0114 17.2420 17.2420 17.2765 17.2765 k =-0.0714 0.0599 0.0000 ( 3667 PWs) bands (ev): 1.8898 1.8898 4.3702 4.3702 4.7665 4.7665 6.8186 6.8186 7.8919 7.8919 8.1252 8.1252 8.5412 8.5412 8.6336 8.6336 9.9238 9.9238 10.3781 10.3781 10.8245 10.8245 11.0226 11.0226 11.7982 11.7982 12.6740 12.6740 12.7026 12.7026 12.8242 12.8242 13.4262 13.4262 13.5121 13.5121 14.2653 14.2653 14.3568 14.3568 14.8831 14.8831 15.1802 15.1802 15.5202 15.5202 15.6891 15.6891 16.2328 16.2328 16.9766 16.9766 17.2481 17.2481 17.2863 17.2863 k =-0.0833 0.0698 0.0000 ( 3675 PWs) bands (ev): 1.9027 1.9027 4.3534 4.3534 4.7526 4.7526 6.8421 6.8421 7.9002 7.9002 8.1359 8.1359 8.5054 8.5054 8.6403 8.6403 9.9152 9.9152 10.3681 10.3681 10.8207 10.8207 10.9970 10.9970 11.8163 11.8163 12.6860 12.6860 12.7297 12.7297 12.8446 12.8446 13.4309 13.4309 13.5136 13.5136 14.2413 14.2413 14.3685 14.3685 14.8816 14.8816 15.1805 15.1805 15.5147 15.5147 15.6979 15.6979 16.2247 16.2247 16.9367 16.9367 17.2553 17.2553 17.2971 17.2971 k =-0.0952 0.0798 0.0000 ( 3685 PWs) bands (ev): 1.9175 1.9175 4.3347 4.3347 4.7367 4.7367 6.8684 6.8684 7.9078 7.9078 8.1481 8.1481 8.4672 8.4672 8.6479 8.6479 9.9054 9.9054 10.3570 10.3570 10.8166 10.8166 10.9687 10.9687 11.8355 11.8355 12.6992 12.6992 12.7598 12.7598 12.8677 12.8677 13.4365 13.4365 13.5155 13.5155 14.2122 14.2122 14.3816 14.3816 14.8794 14.8794 15.1835 15.1835 15.5094 15.5094 15.7073 15.7073 16.2155 16.2155 16.8920 16.8920 17.2637 17.2637 17.3087 17.3087 k =-0.1071 0.0898 0.0000 ( 3681 PWs) bands (ev): 1.9343 1.9343 4.3143 4.3143 4.7189 4.7189 6.8975 6.8975 7.9135 7.9135 8.1618 8.1618 8.4285 8.4285 8.6566 8.6566 9.8947 9.8947 10.3452 10.3452 10.8122 10.8122 10.9378 10.9378 11.8555 11.8555 12.7132 12.7132 12.7925 12.7925 12.8936 12.8936 13.4433 13.4433 13.5177 13.5177 14.1780 14.1780 14.3955 14.3955 14.8768 14.8768 15.1899 15.1899 15.5044 15.5044 15.7174 15.7174 16.2052 16.2052 16.8431 16.8431 17.2732 17.2732 17.3208 17.3208 k =-0.1190 0.0998 0.0000 ( 3675 PWs) bands (ev): 1.9529 1.9529 4.2923 4.2923 4.6993 4.6993 6.9290 6.9290 7.9156 7.9156 8.1768 8.1768 8.3912 8.3912 8.6662 8.6662 9.8831 9.8831 10.3326 10.3326 10.8078 10.8078 10.9047 10.9047 11.8755 11.8755 12.7278 12.7278 12.8275 12.8275 12.9220 12.9220 13.4512 13.4512 13.5203 13.5203 14.1387 14.1387 14.4096 14.4096 14.8737 14.8737 15.2001 15.2001 15.4997 15.4997 15.7282 15.7282 16.1939 16.1939 16.7904 16.7904 17.2840 17.2840 17.3331 17.3331 k =-0.1310 0.1097 0.0000 ( 3689 PWs) bands (ev): 1.9735 1.9735 4.2690 4.2690 4.6779 4.6779 6.9627 6.9627 7.9120 7.9120 8.1930 8.1930 8.3580 8.3580 8.6768 8.6768 9.8707 9.8707 10.3197 10.3197 10.8032 10.8032 10.8696 10.8696 11.8952 11.8952 12.7426 12.7426 12.8645 12.8645 12.9527 12.9527 13.4601 13.4601 13.5233 13.5233 14.0943 14.0943 14.4235 14.4235 14.8700 14.8700 15.2146 15.2146 15.4954 15.4954 15.7397 15.7397 16.1816 16.1816 16.7345 16.7345 17.2959 17.2959 17.3453 17.3453 k =-0.1429 0.1197 0.0000 ( 3693 PWs) bands (ev): 1.9959 1.9959 4.2446 4.2446 4.6549 4.6549 6.9983 6.9983 7.9002 7.9002 8.2104 8.2104 8.3316 8.3316 8.6885 8.6885 9.8576 9.8576 10.3067 10.3067 10.7988 10.7988 10.8329 10.8329 11.9141 11.9141 12.7575 12.7575 12.9031 12.9031 12.9856 12.9856 13.4702 13.4702 13.5266 13.5266 14.0451 14.0451 14.4367 14.4367 14.8661 14.8661 15.2336 15.2336 15.4916 15.4916 15.7521 15.7521 16.1685 16.1685 16.6758 16.6758 17.3090 17.3090 17.3572 17.3572 k =-0.1548 0.1297 0.0000 ( 3697 PWs) bands (ev): 2.0202 2.0202 4.2194 4.2194 4.6302 4.6302 7.0356 7.0356 7.8783 7.8783 8.2287 8.2287 8.3144 8.3144 8.7011 8.7011 9.8439 9.8439 10.2937 10.2937 10.7940 10.7940 10.7953 10.7953 11.9319 11.9319 12.7722 12.7722 12.9430 12.9430 13.0205 13.0205 13.4814 13.4814 13.5304 13.5304 13.9911 13.9911 14.4488 14.4488 14.8621 14.8621 15.2574 15.2574 15.4884 15.4884 15.7654 15.7654 16.1544 16.1544 16.6147 16.6147 17.3233 17.3233 17.3686 17.3686 k =-0.1667 0.1397 0.0000 ( 3701 PWs) bands (ev): 2.0463 2.0463 4.1935 4.1935 4.6039 4.6039 7.0744 7.0744 7.8456 7.8456 8.2478 8.2478 8.3073 8.3073 8.7146 8.7146 9.8298 9.8298 10.2811 10.2811 10.7554 10.7554 10.7907 10.7907 11.9482 11.9482 12.7863 12.7863 12.9838 12.9838 13.0572 13.0572 13.4936 13.4936 13.5347 13.5347 13.9328 13.9328 14.4596 14.4596 14.8580 14.8580 15.2859 15.2859 15.4857 15.4857 15.7799 15.7799 16.1397 16.1397 16.5517 16.5517 17.3388 17.3388 17.3793 17.3793 k =-0.1786 0.1496 0.0000 ( 3699 PWs) bands (ev): 2.0742 2.0742 4.1671 4.1671 4.5762 4.5762 7.1144 7.1144 7.8033 7.8033 8.2676 8.2676 8.3094 8.3094 8.7291 8.7291 9.8152 9.8152 10.2691 10.2691 10.7151 10.7151 10.7873 10.7873 11.9628 11.9628 12.7998 12.7998 13.0254 13.0254 13.0955 13.0955 13.5068 13.5068 13.5397 13.5397 13.8705 13.8705 14.4686 14.4686 14.8542 14.8542 15.3193 15.3193 15.4835 15.4835 15.7956 15.7956 16.1242 16.1242 16.4872 16.4872 17.3552 17.3552 17.3893 17.3893 k =-0.1905 0.1596 0.0000 ( 3693 PWs) bands (ev): 2.1039 2.1039 4.1404 4.1404 4.5470 4.5470 7.1555 7.1555 7.7531 7.7531 8.2877 8.2877 8.3192 8.3192 8.7446 8.7446 9.8005 9.8005 10.2580 10.2580 10.6739 10.6739 10.7845 10.7845 11.9755 11.9755 12.8123 12.8123 13.0673 13.0673 13.1352 13.1352 13.5207 13.5207 13.5452 13.5452 13.8047 13.8047 14.4757 14.4757 14.8504 14.8504 15.3574 15.3574 15.4817 15.4817 15.8127 15.8127 16.1080 16.1080 16.4214 16.4214 17.3723 17.3723 17.3990 17.3990 k =-0.2024 0.1696 0.0000 ( 3694 PWs) bands (ev): 2.1353 2.1353 4.1136 4.1136 4.5164 4.5164 7.1974 7.1974 7.6973 7.6973 8.3081 8.3081 8.3349 8.3349 8.7609 8.7609 9.7855 9.7855 10.2481 10.2481 10.6321 10.6321 10.7825 10.7825 11.9861 11.9861 12.8238 12.8238 13.1092 13.1092 13.1760 13.1760 13.5352 13.5352 13.5513 13.5513 13.7361 13.7361 14.4806 14.4806 14.8469 14.8469 15.4002 15.4002 15.4803 15.4803 15.8312 15.8312 16.0914 16.0914 16.3547 16.3547 17.3885 17.3885 17.4098 17.4098 k =-0.2143 0.1796 0.0000 ( 3698 PWs) bands (ev): 2.1684 2.1684 4.0868 4.0868 4.4845 4.4845 7.2400 7.2400 7.6376 7.6376 8.3284 8.3284 8.3546 8.3546 8.7782 8.7782 9.7705 9.7705 10.2397 10.2397 10.5898 10.5898 10.7814 10.7814 11.9944 11.9944 12.8341 12.8341 13.1507 13.1507 13.2179 13.2179 13.5493 13.5493 13.5578 13.5578 13.6664 13.6664 14.4832 14.4832 14.8435 14.8435 15.4475 15.4475 15.4791 15.4791 15.8512 15.8512 16.0741 16.0741 16.2875 16.2875 17.4005 17.4005 17.4249 17.4249 k =-0.2262 0.1895 0.0000 ( 3690 PWs) bands (ev): 2.2031 2.2031 4.0603 4.0603 4.4512 4.4512 7.2831 7.2831 7.5754 7.5754 8.3484 8.3484 8.3773 8.3773 8.7963 8.7963 9.7554 9.7554 10.2331 10.2331 10.5471 10.5471 10.7812 10.7812 12.0003 12.0003 12.8431 12.8431 13.1914 13.1914 13.2605 13.2605 13.5494 13.5494 13.5687 13.5687 13.6059 13.6059 14.4834 14.4834 14.8403 14.8403 15.4778 15.4778 15.4996 15.4996 15.8727 15.8727 16.0566 16.0566 16.2199 16.2199 17.4076 17.4076 17.4452 17.4452 k =-0.2381 0.1995 0.0000 ( 3678 PWs) bands (ev): 2.2394 2.2394 4.0340 4.0340 4.4167 4.4167 7.3266 7.3266 7.5118 7.5118 8.3678 8.3678 8.4021 8.4021 8.8154 8.8154 9.7405 9.7405 10.2285 10.2285 10.5041 10.5041 10.7823 10.7823 12.0039 12.0039 12.8508 12.8508 13.2308 13.2308 13.3037 13.3037 13.4976 13.4976 13.5845 13.5845 13.5926 13.5926 14.4812 14.4812 14.8375 14.8375 15.4771 15.4771 15.5556 15.5556 15.8956 15.8956 16.0386 16.0386 16.1523 16.1523 17.4119 17.4119 17.4686 17.4686 k =-0.2500 0.2095 0.0000 ( 3680 PWs) bands (ev): 2.2773 2.2773 4.0082 4.0082 4.3810 4.3810 7.3702 7.3702 7.4477 7.4477 8.3863 8.3863 8.4280 8.4280 8.8352 8.8352 9.7258 9.7258 10.2263 10.2263 10.4609 10.4609 10.7845 10.7845 12.0050 12.0050 12.8572 12.8572 13.2682 13.2682 13.3468 13.3468 13.4229 13.4229 13.6010 13.6010 13.6025 13.6025 14.4765 14.4765 14.8348 14.8348 15.4761 15.4761 15.6157 15.6157 15.9199 15.9199 16.0202 16.0202 16.0850 16.0850 17.4144 17.4144 17.4941 17.4941 k =-0.2619 0.2195 0.0000 ( 3676 PWs) bands (ev): 2.3167 2.3167 3.9829 3.9829 4.3440 4.3440 7.3835 7.3835 7.4144 7.4144 8.4035 8.4035 8.4548 8.4548 8.8559 8.8559 9.7113 9.7113 10.2266 10.2266 10.4177 10.4177 10.7882 10.7882 12.0036 12.0036 12.8622 12.8622 13.3030 13.3030 13.3419 13.3419 13.3921 13.3921 13.6170 13.6170 13.6189 13.6189 14.4696 14.4696 14.8322 14.8322 15.4753 15.4753 15.6797 15.6797 15.9453 15.9453 16.0007 16.0007 16.0191 16.0191 17.4154 17.4154 17.5215 17.5215 k =-0.2738 0.2294 0.0000 ( 3686 PWs) bands (ev): 2.3575 2.3575 3.9583 3.9583 4.3059 4.3059 7.3204 7.3204 7.4581 7.4581 8.4191 8.4191 8.4818 8.4818 8.8773 8.8773 9.6970 9.6970 10.2299 10.2299 10.3745 10.3745 10.7933 10.7933 11.9998 11.9998 12.8658 12.8658 13.2610 13.2610 13.3351 13.3351 13.4349 13.4349 13.6348 13.6348 13.6377 13.6377 14.4603 14.4603 14.8297 14.8297 15.4744 15.4744 15.7472 15.7472 15.9496 15.9496 15.9716 15.9716 15.9852 15.9852 17.4153 17.4153 17.5508 17.5508 k =-0.2857 0.2394 0.0000 ( 3684 PWs) bands (ev): 2.3997 2.3997 3.9345 3.9345 4.2666 4.2666 7.2583 7.2583 7.5019 7.5019 8.4328 8.4328 8.5087 8.5087 8.8995 8.8995 9.6832 9.6832 10.2361 10.2361 10.3315 10.3315 10.7999 10.7999 11.9937 11.9937 12.8681 12.8681 13.1788 13.1788 13.3633 13.3633 13.4779 13.4779 13.6532 13.6532 13.6603 13.6603 14.4490 14.4490 14.8275 14.8275 15.4736 15.4736 15.8177 15.8177 15.8845 15.8845 15.9653 15.9653 15.9996 15.9996 17.4143 17.4143 17.5818 17.5818 k =-0.2976 0.2494 0.0000 ( 3680 PWs) bands (ev): 2.4433 2.4433 3.9115 3.9115 4.2262 4.2262 7.1979 7.1979 7.5456 7.5456 8.4443 8.4443 8.5353 8.5353 8.9224 8.9224 9.6698 9.6698 10.2454 10.2454 10.2889 10.2889 10.8081 10.8081 11.9852 11.9852 12.8690 12.8690 13.0961 13.0961 13.3877 13.3877 13.5205 13.5205 13.6715 13.6715 13.6870 13.6870 14.4358 14.4358 14.8254 14.8254 15.4726 15.4726 15.8191 15.8191 15.8917 15.8917 15.9470 15.9470 16.0272 16.0272 17.4125 17.4125 17.6146 17.6146 k =-0.3095 0.2594 0.0000 ( 3684 PWs) bands (ev): 2.4880 2.4880 3.8895 3.8895 4.1847 4.1847 7.1393 7.1393 7.5890 7.5890 8.4535 8.4535 8.5612 8.5612 8.9459 8.9459 9.6570 9.6570 10.2444 10.2444 10.2603 10.2603 10.8179 10.8179 11.9744 11.9744 12.8679 12.8679 13.0141 13.0141 13.4084 13.4084 13.5622 13.5622 13.6902 13.6902 13.7172 13.7172 14.4207 14.4207 14.8234 14.8234 15.4716 15.4716 15.7554 15.7554 15.9282 15.9282 15.9681 15.9681 16.0552 16.0552 17.4100 17.4100 17.6493 17.6493 k =-0.3214 0.2693 0.0000 ( 3674 PWs) bands (ev): 2.5340 2.5340 3.8684 3.8684 4.1421 4.1421 7.0829 7.0829 7.6322 7.6322 8.4600 8.4600 8.5863 8.5863 8.9701 8.9701 9.6446 9.6446 10.2035 10.2035 10.2755 10.2755 10.8294 10.8294 11.9616 11.9616 12.8623 12.8623 12.9360 12.9360 13.4258 13.4258 13.6026 13.6026 13.7095 13.7095 13.7505 13.7505 14.4041 14.4041 14.8216 14.8216 15.4706 15.4706 15.6929 15.6929 15.9104 15.9104 16.0458 16.0458 16.0832 16.0832 17.4072 17.4072 17.6857 17.6857 k =-0.3333 0.2793 0.0000 ( 3682 PWs) bands (ev): 2.5810 2.5810 3.8484 3.8484 4.0986 4.0986 7.0291 7.0291 7.6749 7.6749 8.4638 8.4638 8.6103 8.6103 8.9947 8.9947 9.6329 9.6329 10.1619 10.1619 10.2949 10.2949 10.8424 10.8424 11.9467 11.9467 12.8282 12.8282 12.8860 12.8860 13.4402 13.4402 13.6415 13.6415 13.7294 13.7294 13.7860 13.7860 14.3861 14.3861 14.8198 14.8198 15.4694 15.4694 15.6318 15.6318 15.8928 15.8928 16.1102 16.1102 16.1258 16.1258 17.4041 17.4041 17.7239 17.7239 k =-0.3452 0.2893 0.0000 ( 3690 PWs) bands (ev): 2.6290 2.6290 3.8296 3.8296 4.0540 4.0540 6.9780 6.9780 7.7173 7.7173 8.4647 8.4647 8.6332 8.6332 9.0198 9.0198 9.6217 9.6217 10.1210 10.1210 10.3177 10.3177 10.8568 10.8568 11.9301 11.9301 12.7552 12.7552 12.8752 12.8752 13.4522 13.4522 13.6784 13.6784 13.7502 13.7502 13.8232 13.8232 14.3669 14.3669 14.8182 14.8182 15.4677 15.4677 15.5727 15.5727 15.8756 15.8756 16.1375 16.1375 16.2057 16.2057 17.4009 17.4009 17.7638 17.7638 k =-0.3571 0.2993 0.0000 ( 3688 PWs) bands (ev): 2.6778 2.6778 3.8119 3.8119 4.0086 4.0086 6.9299 6.9299 7.7592 7.7592 8.4626 8.4626 8.6547 8.6547 9.0453 9.0453 9.6113 9.6113 10.0807 10.0807 10.3435 10.3435 10.8727 10.8727 11.9119 11.9119 12.6767 12.6767 12.8709 12.8709 13.4623 13.4623 13.7126 13.7126 13.7724 13.7724 13.8614 13.8614 14.3466 14.3466 14.8167 14.8167 15.4641 15.4641 15.5174 15.5174 15.8590 15.8590 16.1637 16.1637 16.2861 16.2861 17.3978 17.3978 17.8055 17.8055 k =-0.3690 0.3093 0.0000 ( 3692 PWs) bands (ev): 2.7273 2.7273 3.7954 3.7954 3.9624 3.9624 6.8850 6.8850 7.8005 7.8005 8.4576 8.4576 8.6747 8.6747 9.0710 9.0710 9.6016 9.6016 10.0413 10.0413 10.3718 10.3718 10.8897 10.8897 11.8924 11.8924 12.5987 12.5987 12.8674 12.8674 13.4708 13.4708 13.7437 13.7437 13.7961 13.7961 13.9001 13.9001 14.3255 14.3255 14.8152 14.8152 15.4451 15.4451 15.4795 15.4795 15.8431 15.8431 16.1887 16.1887 16.3659 16.3659 17.3949 17.3949 17.8488 17.8488 k =-0.3810 0.3192 0.0000 ( 3688 PWs) bands (ev): 2.7775 2.7775 3.7802 3.7802 3.9156 3.9156 6.8434 6.8434 7.8412 7.8412 8.4498 8.4498 8.6932 8.6932 9.0967 9.0967 9.5926 9.5926 10.0030 10.0030 10.4024 10.4024 10.9078 10.9078 11.8719 11.8719 12.5227 12.5227 12.8642 12.8642 13.4780 13.4780 13.7715 13.7715 13.8214 13.8214 13.9385 13.9385 14.3037 14.3037 14.8139 14.8139 15.3982 15.3982 15.4717 15.4717 15.8280 15.8280 16.2123 16.2123 16.4444 16.4444 17.3924 17.3924 17.8935 17.8935 k =-0.3929 0.3292 0.0000 ( 3680 PWs) bands (ev): 2.8279 2.8279 3.7661 3.7661 3.8683 3.8683 6.8054 6.8054 7.8812 7.8812 8.4393 8.4393 8.7100 8.7100 9.1224 9.1224 9.5843 9.5843 9.9660 9.9660 10.4345 10.4345 10.9265 10.9265 11.8507 11.8507 12.4494 12.4494 12.8611 12.8611 13.4841 13.4841 13.7965 13.7965 13.8474 13.8474 13.9764 13.9764 14.2815 14.2815 14.8128 14.8128 15.3482 15.3482 15.4697 15.4697 15.8139 15.8139 16.2343 16.2343 16.5205 16.5205 17.3904 17.3904 17.9396 17.9396 k =-0.4048 0.3392 0.0000 ( 3692 PWs) bands (ev): 2.8786 2.8786 3.7531 3.7531 3.8209 3.8209 6.7710 6.7710 7.9204 7.9204 8.4261 8.4261 8.7252 8.7252 9.1477 9.1477 9.5769 9.5769 9.9304 9.9304 10.4675 10.4675 10.9456 10.9456 11.8292 11.8292 12.3797 12.3797 12.8580 12.8580 13.4893 13.4893 13.8194 13.8194 13.8731 13.8731 14.0128 14.0128 14.2590 14.2590 14.8117 14.8117 15.3002 15.3002 15.4685 15.4685 15.8007 15.8007 16.2545 16.2545 16.5930 16.5930 17.3891 17.3891 17.9866 17.9866 k =-0.4167 0.3492 0.0000 ( 3694 PWs) bands (ev): 2.9290 2.9290 3.7402 3.7402 3.7748 3.7748 6.7403 6.7403 7.9585 7.9585 8.4106 8.4106 8.7386 8.7386 9.1723 9.1723 9.5703 9.5703 9.8968 9.8968 10.5006 10.5006 10.9646 10.9646 11.8081 11.8081 12.3144 12.3144 12.8551 12.8551 13.4937 13.4937 13.8409 13.8409 13.8975 13.8975 14.0476 14.0476 14.2365 14.2365 14.8107 14.8107 15.2552 15.2552 15.4678 15.4678 15.7888 15.7888 16.2728 16.2728 16.6610 16.6610 17.3885 17.3885 18.0341 18.0341 k =-0.4286 0.3591 0.0000 ( 3694 PWs) bands (ev): 2.9789 2.9789 3.7171 3.7171 3.7406 3.7406 6.7136 6.7136 7.9955 7.9955 8.3930 8.3930 8.7503 8.7503 9.1958 9.1958 9.5645 9.5645 9.8654 9.8654 10.5328 10.5328 10.9829 10.9829 11.7877 11.7877 12.2544 12.2544 12.8524 12.8524 13.4974 13.4974 13.8612 13.8612 13.9202 13.9202 14.0798 14.0798 14.2144 14.2144 14.8099 14.8099 15.2140 15.2140 15.4672 15.4672 15.7781 15.7781 16.2889 16.2889 16.7232 16.7232 17.3887 17.3887 18.0815 18.0815 k =-0.4405 0.3691 0.0000 ( 3692 PWs) bands (ev): 3.0275 3.0275 3.6747 3.6747 3.7282 3.7282 6.6908 6.6908 8.0311 8.0311 8.3737 8.3737 8.7602 8.7602 9.2178 9.2178 9.5595 9.5595 9.8368 9.8368 10.5631 10.5631 11.0002 11.0002 11.7687 11.7687 12.2009 12.2009 12.8500 12.8500 13.5005 13.5005 13.8803 13.8803 13.9407 13.9407 14.1085 14.1085 14.1933 14.1933 14.8091 14.8091 15.1772 15.1772 15.4668 15.4668 15.7689 15.7689 16.3028 16.3028 16.7784 16.7784 17.3897 17.3897 18.1278 18.1278 k =-0.4524 0.3791 0.0000 ( 3692 PWs) bands (ev): 3.0739 3.0739 3.6308 3.6308 3.7206 3.7206 6.6721 6.6721 8.0647 8.0647 8.3532 8.3532 8.7683 8.7683 9.2375 9.2375 9.5554 9.5554 9.8117 9.8117 10.5902 10.5902 11.0156 11.0156 11.7518 11.7518 12.1547 12.1547 12.8480 12.8480 13.5029 13.5029 13.8976 13.8976 13.9589 13.9589 14.1316 14.1316 14.1750 14.1750 14.8085 14.8085 15.1455 15.1455 15.4665 15.4665 15.7612 15.7612 16.3144 16.3144 16.8252 16.8252 17.3912 17.3912 18.1715 18.1715 k =-0.4643 0.3891 0.0000 ( 3698 PWs) bands (ev): 3.1164 3.1164 3.5899 3.5899 3.7150 3.7150 6.6575 6.6575 8.0956 8.0956 8.3324 8.3324 8.7746 8.7746 9.2541 9.2541 9.5522 9.5522 9.7909 9.7909 10.6129 10.6129 11.0285 11.0285 11.7377 11.7377 12.1172 12.1172 12.8463 12.8463 13.5048 13.5048 13.9126 13.9126 13.9745 13.9745 14.1396 14.1396 14.1689 14.1689 14.8080 14.8080 15.1196 15.1196 15.4662 15.4662 15.7551 15.7551 16.3234 16.3234 16.8628 16.8628 17.3931 17.3931 18.2106 18.2106 k =-0.4762 0.3990 0.0000 ( 3694 PWs) bands (ev): 3.1522 3.1522 3.5551 3.5551 3.7111 3.7111 6.6470 6.6470 8.1223 8.1223 8.3129 8.3129 8.7791 8.7791 9.2669 9.2669 9.5499 9.5499 9.7751 9.7751 10.6302 10.6302 11.0383 11.0383 11.7271 11.7271 12.0894 12.0894 12.8451 12.8451 13.5061 13.5061 13.9242 13.9242 13.9874 13.9874 14.1295 14.1295 14.1787 14.1787 14.8076 14.8076 15.1005 15.1005 15.4660 15.4660 15.7506 15.7506 16.3299 16.3299 16.8901 16.8901 17.3949 17.3949 18.2424 18.2424 k =-0.4881 0.4090 0.0000 ( 3694 PWs) bands (ev): 3.1773 3.1773 3.5306 3.5306 3.7088 3.7088 6.6407 6.6407 8.1417 8.1417 8.2978 8.2978 8.7818 8.7818 9.2750 9.2750 9.5485 9.5485 9.7652 9.7652 10.6411 10.6411 11.0444 11.0444 11.7204 11.7204 12.0724 12.0724 12.8443 12.8443 13.5069 13.5069 13.9317 13.9317 13.9964 13.9964 14.1194 14.1194 14.1872 14.1872 14.8074 14.8074 15.0887 15.0887 15.4659 15.4659 15.7479 15.7479 16.3338 16.3338 16.9068 16.9068 17.3962 17.3962 18.2635 18.2635 k =-0.5000 0.4190 0.0000 ( 3694 PWs) bands (ev): 3.1865 3.1865 3.5217 3.5217 3.7080 3.7080 6.6386 6.6386 8.1491 8.1491 8.2918 8.2918 8.7827 8.7827 9.2778 9.2778 9.5480 9.5480 9.7619 9.7619 10.6447 10.6447 11.0465 11.0465 11.7182 11.7182 12.0666 12.0666 12.8441 12.8441 13.5072 13.5072 13.9343 13.9343 13.9997 13.9997 14.1155 14.1155 14.1903 14.1903 14.8073 14.8073 15.0847 15.0847 15.4659 15.4659 15.7471 15.7471 16.3352 16.3352 16.9123 16.9123 17.3967 17.3967 18.2710 18.2710 k =-0.5000 0.4190 0.0000 ( 3694 PWs) bands (ev): 3.1865 3.1865 3.5217 3.5217 3.7080 3.7080 6.6386 6.6386 8.1491 8.1491 8.2918 8.2918 8.7827 8.7827 9.2778 9.2778 9.5480 9.5480 9.7619 9.7619 10.6447 10.6447 11.0465 11.0465 11.7182 11.7182 12.0666 12.0666 12.8441 12.8441 13.5072 13.5072 13.9343 13.9343 13.9997 13.9997 14.1155 14.1155 14.1903 14.1903 14.8073 14.8073 15.0847 15.0847 15.4659 15.4659 15.7471 15.7471 16.3352 16.3352 16.9123 16.9123 17.3967 17.3967 18.2710 18.2710 k =-0.4907 0.4301-0.0000 ( 3692 PWs) bands (ev): 3.1852 3.1852 3.5224 3.5224 3.7078 3.7078 6.6409 6.6409 8.1484 8.1484 8.2926 8.2926 8.7820 8.7820 9.2762 9.2762 9.5493 9.5493 9.7627 9.7627 10.6410 10.6410 11.0513 11.0513 11.7142 11.7142 12.0669 12.0669 12.8486 12.8486 13.5068 13.5068 13.9312 13.9312 13.9954 13.9954 14.1156 14.1156 14.1961 14.1961 14.8065 14.8065 15.0789 15.0789 15.4645 15.4645 15.7555 15.7555 16.3337 16.3337 16.9124 16.9124 17.3968 17.3968 18.2688 18.2688 k =-0.4814 0.4412-0.0000 ( 3686 PWs) bands (ev): 3.1813 3.1813 3.5246 3.5246 3.7073 3.7073 6.6480 6.6480 8.1462 8.1462 8.2948 8.2948 8.7799 8.7799 9.2717 9.2717 9.5532 9.5532 9.7650 9.7650 10.6304 10.6304 11.0652 11.0652 11.7024 11.7024 12.0676 12.0676 12.8620 12.8620 13.5055 13.5055 13.9210 13.9210 13.9855 13.9855 14.1157 14.1157 14.2119 14.2119 14.8044 14.8044 15.0625 15.0625 15.4606 15.4606 15.7800 15.7800 16.3292 16.3292 16.9125 16.9125 17.3969 17.3969 18.2623 18.2623 k =-0.4721 0.4523-0.0000 ( 3694 PWs) bands (ev): 3.1748 3.1748 3.5283 3.5283 3.7067 3.7067 6.6596 6.6596 8.1424 8.1424 8.2986 8.2986 8.7763 8.7763 9.2644 9.2644 9.5594 9.5594 9.7689 9.7689 10.6140 10.6140 11.0867 11.0867 11.6833 11.6833 12.0687 12.0687 12.8838 12.8838 13.5034 13.5034 13.9023 13.9023 13.9753 13.9753 14.1151 14.1151 14.2341 14.2341 14.8007 14.8007 15.0377 15.0377 15.4540 15.4540 15.8181 15.8181 16.3219 16.3219 16.9127 16.9127 17.3973 17.3973 18.2517 18.2517 k =-0.4628 0.4634-0.0000 ( 3698 PWs) bands (ev): 3.1657 3.1657 3.5334 3.5334 3.7060 3.7060 6.6756 6.6756 8.1371 8.1371 8.3038 8.3038 8.7714 8.7714 9.2546 9.2546 9.5676 9.5676 9.7743 9.7743 10.5937 10.5937 11.1145 11.1145 11.6577 11.6577 12.0703 12.0703 12.9133 12.9133 13.5003 13.5003 13.8761 13.8761 13.9671 13.9671 14.1140 14.1140 14.2598 14.2598 14.7953 14.7953 15.0073 15.0073 15.4447 15.4447 15.8672 15.8672 16.3120 16.3120 16.9130 16.9130 17.3978 17.3978 18.2373 18.2373 k =-0.4535 0.4745-0.0000 ( 3689 PWs) bands (ev): 3.1538 3.1538 3.5400 3.5400 3.7056 3.7056 6.6957 6.6957 8.1304 8.1304 8.3106 8.3106 8.7651 8.7651 9.2429 9.2429 9.5774 9.5774 9.7813 9.7813 10.5707 10.5707 11.1470 11.1470 11.6266 11.6266 12.0723 12.0723 12.9495 12.9495 13.4962 13.4962 13.8448 13.8448 13.9602 13.9602 14.1125 14.1125 14.2870 14.2870 14.7883 14.7883 14.9739 14.9739 15.4330 15.4330 15.9248 15.9248 16.2996 16.2996 16.9133 16.9133 17.3986 17.3986 18.2194 18.2194 k =-0.4442 0.4856-0.0000 ( 3693 PWs) bands (ev): 3.1391 3.1391 3.5481 3.5481 3.7056 3.7056 6.7198 6.7198 8.1221 8.1221 8.3189 8.3189 8.7575 8.7575 9.2296 9.2296 9.5884 9.5884 9.7899 9.7899 10.5461 10.5461 11.1830 11.1830 11.5907 11.5907 12.0746 12.0746 12.9916 12.9916 13.4909 13.4909 13.8103 13.8103 13.9538 13.9538 14.1106 14.1106 14.3146 14.3146 14.7793 14.7793 14.9393 14.9393 15.4186 15.4186 15.9890 15.9890 16.2850 16.2850 16.9137 16.9137 17.3997 17.3997 18.1984 18.1984 k =-0.4349 0.4967-0.0000 ( 3689 PWs) bands (ev): 3.1217 3.1217 3.5576 3.5576 3.7063 3.7063 6.7475 6.7475 8.1123 8.1123 8.3289 8.3289 8.7486 8.7486 9.2149 9.2149 9.6003 9.6003 9.8000 9.8000 10.5208 10.5208 11.2218 11.2218 11.5511 11.5511 12.0774 12.0774 13.0387 13.0387 13.4843 13.4843 13.7739 13.7739 13.9474 13.9474 14.1084 14.1084 14.3418 14.3418 14.7685 14.7685 14.9053 14.9053 15.4018 15.4018 16.0584 16.0584 16.2685 16.2685 16.9141 16.9141 17.4011 17.4011 18.1747 18.1747 k =-0.4255 0.5078-0.0000 ( 3685 PWs) bands (ev): 3.1014 3.1014 3.5685 3.5685 3.7080 3.7080 6.7784 6.7784 8.1010 8.1010 8.3404 8.3404 8.7385 8.7385 9.1991 9.1991 9.6128 9.6128 9.8116 9.8116 10.4953 10.4953 11.2627 11.2627 11.5082 11.5082 12.0806 12.0806 13.0900 13.0900 13.4764 13.4764 13.7364 13.7364 13.9408 13.9408 14.1061 14.1061 14.3681 14.3681 14.7555 14.7555 14.8728 14.8728 15.3826 15.3826 16.1317 16.1317 16.2505 16.2505 16.9146 16.9146 17.4030 17.4030 18.1487 18.1487 k =-0.4255 0.5078-0.0000 ( 3685 PWs) bands (ev): 3.1014 3.1014 3.5685 3.5685 3.7080 3.7080 6.7784 6.7784 8.1010 8.1010 8.3404 8.3404 8.7385 8.7385 9.1991 9.1991 9.6128 9.6128 9.8116 9.8116 10.4953 10.4953 11.2627 11.2627 11.5082 11.5082 12.0806 12.0806 13.0900 13.0900 13.4764 13.4764 13.7364 13.7364 13.9408 13.9408 14.1061 14.1061 14.3681 14.3681 14.7555 14.7555 14.8728 14.8728 15.3826 15.3826 16.1317 16.1317 16.2505 16.2505 16.9146 16.9146 17.4030 17.4030 18.1487 18.1487 k =-0.4255 0.5078 0.0156 ( 3690 PWs) bands (ev): 3.1024 3.1024 3.5697 3.5697 3.7090 3.7090 6.7796 6.7796 8.1003 8.1003 8.3275 8.3275 8.7223 8.7223 9.2163 9.2163 9.6222 9.6222 9.7887 9.7887 10.5183 10.5183 11.2657 11.2657 11.5114 11.5114 12.0812 12.0812 13.0860 13.0860 13.4755 13.4755 13.7349 13.7349 13.9395 13.9395 14.1070 14.1070 14.3682 14.3682 14.7547 14.7547 14.8719 14.8719 15.3830 15.3830 16.1259 16.1259 16.2406 16.2406 16.9207 16.9207 17.4103 17.4103 18.1379 18.1379 k =-0.4255 0.5078 0.0312 ( 3692 PWs) bands (ev): 3.1057 3.1057 3.5733 3.5733 3.7122 3.7122 6.7834 6.7834 8.0980 8.0980 8.2905 8.2905 8.6785 8.6785 9.2623 9.2623 9.6486 9.6486 9.7289 9.7289 10.5787 10.5787 11.2751 11.2751 11.5208 11.5208 12.0830 12.0830 13.0739 13.0739 13.4727 13.4727 13.7304 13.7304 13.9358 13.9358 14.1094 14.1094 14.3684 14.3684 14.7525 14.7525 14.8695 14.8695 15.3837 15.3837 16.1100 16.1100 16.2118 16.2118 16.9373 16.9373 17.4327 17.4327 18.1067 18.1067 k =-0.4255 0.5078 0.0467 ( 3688 PWs) bands (ev): 3.1111 3.1111 3.5792 3.5792 3.7176 3.7176 6.7897 6.7897 8.0939 8.0939 8.2336 8.2336 8.6164 8.6164 9.3268 9.3268 9.6409 9.6409 9.6951 9.6951 10.6601 10.6601 11.2925 11.2925 11.5365 11.5365 12.0858 12.0858 13.0539 13.0539 13.4684 13.4684 13.7231 13.7231 13.9296 13.9296 14.1133 14.1133 14.3688 14.3688 14.7487 14.7487 14.8660 14.8660 15.3837 15.3837 16.0882 16.0882 16.1663 16.1663 16.9597 16.9597 17.4703 17.4703 18.0579 18.0579 k =-0.4255 0.5078 0.0623 ( 3688 PWs) bands (ev): 3.1186 3.1186 3.5875 3.5875 3.7251 3.7251 6.7985 6.7985 8.0873 8.0873 8.1618 8.1618 8.5426 8.5426 9.4020 9.4020 9.5488 9.5488 9.7462 9.7462 10.7484 10.7484 11.3204 11.3204 11.5582 11.5582 12.0893 12.0893 13.0266 13.0266 13.4626 13.4626 13.7132 13.7132 13.9212 13.9212 14.1184 14.1184 14.3693 14.3693 14.7434 14.7434 14.8621 14.8621 15.3817 15.3817 16.0652 16.0652 16.1072 16.1072 16.9831 16.9831 17.5227 17.5227 17.9947 17.9947 k =-0.4255 0.5078 0.0779 ( 3680 PWs) bands (ev): 3.1283 3.1283 3.5981 3.5981 3.7347 3.7347 6.8096 6.8096 8.0734 8.0734 8.0835 8.0835 8.4610 8.4610 9.4517 9.4517 9.4829 9.4829 9.8067 9.8067 10.8330 10.8330 11.3628 11.3628 11.5859 11.5859 12.0929 12.0929 12.9926 12.9926 13.4556 13.4556 13.7007 13.7007 13.9105 13.9105 14.1246 14.1246 14.3700 14.3700 14.7368 14.7368 14.8587 14.8587 15.3761 15.3761 16.0364 16.0364 16.0471 16.0471 17.0044 17.0044 17.5879 17.5879 17.9206 17.9206 k =-0.4255 0.5078 0.0935 ( 3692 PWs) bands (ev): 3.1401 3.1401 3.6112 3.6112 3.7465 3.7465 6.8229 6.8229 7.9888 7.9888 8.0644 8.0644 8.3741 8.3741 9.3557 9.3557 9.5665 9.5665 9.8723 9.8723 10.9059 10.9059 11.4235 11.4235 11.6190 11.6190 12.0962 12.0962 12.9532 12.9532 13.4475 13.4475 13.6858 13.6858 13.8977 13.8977 14.1313 14.1313 14.3709 14.3709 14.7286 14.7286 14.8564 14.8564 15.3659 15.3659 15.9607 15.9607 16.0334 16.0334 17.0220 17.0220 17.6619 17.6619 17.8384 17.8384 k =-0.4255 0.5078 0.1090 ( 3697 PWs) bands (ev): 3.1541 3.1541 3.6266 3.6266 3.7603 3.7603 6.8382 6.8382 7.8945 7.8945 8.0448 8.0448 8.2833 8.2833 9.2646 9.2646 9.6509 9.6509 9.9409 9.9409 10.9631 10.9631 11.5044 11.5044 11.6570 11.6570 12.0983 12.0983 12.9102 12.9102 13.4383 13.4383 13.6688 13.6688 13.8829 13.8829 14.1384 14.1384 14.3721 14.3721 14.7193 14.7193 14.8558 14.8558 15.3507 15.3507 15.8799 15.8799 16.0288 16.0288 17.0360 17.0360 17.7378 17.7378 17.7521 17.7521 k =-0.4255 0.5078 0.1246 ( 3691 PWs) bands (ev): 3.1702 3.1702 3.6443 3.6443 3.7762 3.7762 6.8552 6.8552 7.7975 7.7975 8.0182 8.0182 8.1898 8.1898 9.1813 9.1813 9.7348 9.7348 10.0110 10.0110 11.0049 11.0049 11.6033 11.6033 11.6988 11.6988 12.0987 12.0987 12.8659 12.8659 13.4279 13.4279 13.6499 13.6499 13.8661 13.8661 14.1454 14.1454 14.3737 14.3737 14.7089 14.7089 14.8577 14.8577 15.3310 15.3310 15.7974 15.7974 16.0332 16.0332 17.0469 17.0469 17.6574 17.6574 17.8158 17.8158 k =-0.4255 0.5078 0.1402 ( 3693 PWs) bands (ev): 3.1884 3.1884 3.6645 3.6645 3.7943 3.7943 6.8733 6.8733 7.6994 7.6994 7.9829 7.9829 8.0944 8.0944 9.1080 9.1080 9.8171 9.8171 10.0817 10.0817 11.0343 11.0343 11.7144 11.7144 11.7438 11.7438 12.0975 12.0975 12.8231 12.8231 13.4161 13.4161 13.6292 13.6292 13.8471 13.8471 14.1519 14.1519 14.3757 14.3757 14.6974 14.6974 14.8626 14.8626 15.3080 15.3080 15.7151 15.7151 16.0456 16.0456 17.0554 17.0554 17.5621 17.5621 17.8826 17.8826 k =-0.4255 0.5078 0.1558 ( 3693 PWs) bands (ev): 3.2087 3.2087 3.6869 3.6869 3.8143 3.8143 6.8917 6.8917 7.6021 7.6021 7.9372 7.9372 7.9980 7.9980 9.0467 9.0467 9.8972 9.8972 10.1523 10.1523 11.0549 11.0549 11.7803 11.7803 11.8403 11.8403 12.0964 12.0964 12.7847 12.7847 13.4027 13.4027 13.6069 13.6069 13.8261 13.8261 14.1573 14.1573 14.3782 14.3782 14.6854 14.6854 14.8709 14.8709 15.2830 15.2830 15.6349 15.6349 16.0652 16.0652 17.0622 17.0622 17.4650 17.4650 17.9343 17.9343 k =-0.4255 0.5078 0.1714 ( 3693 PWs) bands (ev): 3.2312 3.2312 3.7117 3.7117 3.8364 3.8364 6.9087 6.9087 7.5078 7.5078 7.8785 7.8785 7.9030 7.9030 8.9986 8.9986 9.9744 9.9744 10.2223 10.2223 11.0693 11.0693 11.8108 11.8108 11.9670 11.9670 12.1013 12.1013 12.7533 12.7533 13.3876 13.3876 13.5832 13.5832 13.8028 13.8028 14.1613 14.1613 14.3816 14.3816 14.6732 14.6732 14.8832 14.8832 15.2576 15.2576 15.5580 15.5580 16.0904 16.0904 17.0676 17.0676 17.3670 17.3670 17.9657 17.9657 k =-0.4255 0.5078 0.1869 ( 3684 PWs) bands (ev): 3.2557 3.2557 3.7389 3.7389 3.8605 3.8605 6.9214 6.9214 7.4198 7.4198 7.7954 7.7954 7.8214 7.8214 8.9639 8.9639 10.0479 10.0479 10.2914 10.2914 11.0791 11.0791 11.8196 11.8196 12.0936 12.0936 12.1247 12.1247 12.7309 12.7309 13.3705 13.3705 13.5585 13.5585 13.7772 13.7772 14.1632 14.1632 14.3860 14.3860 14.6616 14.6616 14.8997 14.8997 15.2329 15.2329 15.4857 15.4857 16.1203 16.1203 17.0718 17.0718 17.2689 17.2689 17.9753 17.9753 k =-0.4255 0.5078 0.2025 ( 3686 PWs) bands (ev): 3.2823 3.2823 3.7684 3.7684 3.8866 3.8866 6.9243 6.9243 7.3438 7.3438 7.6989 7.6989 7.7432 7.7432 8.9422 8.9422 10.1174 10.1174 10.3593 10.3593 11.0853 11.0853 11.8013 11.8013 12.1585 12.1585 12.2313 12.2313 12.7179 12.7179 13.3515 13.3515 13.5331 13.5331 13.7492 13.7492 14.1625 14.1625 14.3917 14.3917 14.6511 14.6511 14.9207 14.9207 15.2097 15.2097 15.4188 15.4188 16.1536 16.1536 17.0746 17.0746 17.1719 17.1719 17.9650 17.9650 k =-0.4255 0.5078 0.2181 ( 3686 PWs) bands (ev): 3.3110 3.3110 3.8002 3.8002 3.9146 3.9146 6.9090 6.9090 7.2882 7.2882 7.6015 7.6015 7.6581 7.6581 8.9322 8.9322 10.1820 10.1820 10.4260 10.4260 11.0884 11.0884 11.7601 11.7601 12.2173 12.2173 12.3600 12.3600 12.7136 12.7136 13.3305 13.3305 13.5075 13.5075 13.7190 13.7190 14.1588 14.1588 14.3991 14.3991 14.6428 14.6428 14.9464 14.9464 15.1889 15.1889 15.3577 15.3577 16.1897 16.1897 17.0593 17.0593 17.0931 17.0931 17.9395 17.9395 k =-0.4255 0.5078 0.2337 ( 3677 PWs) bands (ev): 3.3417 3.3417 3.8344 3.8344 3.9445 3.9445 6.8683 6.8683 7.2590 7.2590 7.5057 7.5057 7.5664 7.5664 8.9325 8.9325 10.2409 10.2409 10.4914 10.4914 11.0886 11.0886 11.7042 11.7042 12.2872 12.2872 12.4857 12.4857 12.7165 12.7165 13.3076 13.3076 13.4826 13.4826 13.6867 13.6867 14.1524 14.1524 14.4084 14.4084 14.6376 14.6376 14.9770 14.9770 15.1708 15.1708 15.3029 15.3029 16.2280 16.2280 16.9720 16.9720 17.0871 17.0871 17.9037 17.9037 k =-0.4255 0.5078 0.2492 ( 3672 PWs) bands (ev): 3.3744 3.3744 3.8709 3.8709 3.9762 3.9762 6.8040 6.8040 7.2506 7.2506 7.4160 7.4160 7.4696 7.4696 8.9418 8.9418 10.2931 10.2931 10.5551 10.5551 11.0860 11.0860 11.6404 11.6404 12.3642 12.3642 12.6051 12.6051 12.7250 12.7250 13.2831 13.2831 13.4592 13.4592 13.6526 13.6526 14.1436 14.1436 14.4200 14.4200 14.6363 14.6363 15.0124 15.0124 15.1554 15.1554 15.2547 15.2547 16.2680 16.2680 16.8774 16.8774 17.0896 17.0896 17.8617 17.8617 k =-0.4255 0.5078 0.2648 ( 3672 PWs) bands (ev): 3.4092 3.4092 3.9097 3.9097 4.0097 4.0097 6.7241 6.7241 7.2344 7.2344 7.3508 7.3508 7.3715 7.3715 8.9587 8.9587 10.3369 10.3369 10.6173 10.6173 11.0804 11.0804 11.5744 11.5744 12.4456 12.4456 12.7113 12.7113 12.7404 12.7404 13.2571 13.2571 13.4391 13.4391 13.6171 13.6171 14.1335 14.1335 14.4338 14.4338 14.6399 14.6399 15.0522 15.0522 15.1423 15.1423 15.2138 15.2138 16.3092 16.3092 16.7836 16.7836 17.0929 17.0929 17.8166 17.8166 k =-0.4255 0.5078 0.2804 ( 3678 PWs) bands (ev): 3.4459 3.4459 3.9507 3.9507 4.0449 4.0449 6.6359 6.6359 7.1701 7.1701 7.2627 7.2627 7.3544 7.3544 8.9821 8.9821 10.3700 10.3700 10.6779 10.6779 11.0717 11.0717 11.5112 11.5112 12.5294 12.5294 12.7446 12.7446 12.8166 12.8166 13.2301 13.2301 13.4242 13.4242 13.5810 13.5810 14.1237 14.1237 14.4496 14.4496 14.6494 14.6494 15.0941 15.0941 15.1313 15.1313 15.1824 15.1824 16.3515 16.3515 16.6914 16.6914 17.0967 17.0967 17.7708 17.7708 k =-0.4255 0.5078 0.2960 ( 3678 PWs) bands (ev): 3.4846 3.4846 3.9941 3.9941 4.0818 4.0818 6.5435 6.5435 7.0814 7.0814 7.1574 7.1574 7.3856 7.3856 9.0112 9.0112 10.3899 10.3899 10.7370 10.7370 11.0596 11.0596 11.4558 11.4558 12.6141 12.6141 12.7562 12.7562 12.8960 12.8960 13.2027 13.2027 13.4168 13.4168 13.5453 13.5453 14.1161 14.1161 14.4672 14.4672 14.6663 14.6663 15.1080 15.1080 15.1419 15.1419 15.1706 15.1706 16.3946 16.3946 16.6010 16.6010 17.1009 17.1009 17.7257 17.7257 k =-0.4255 0.5078 0.3116 ( 3690 PWs) bands (ev): 3.5252 3.5252 4.0397 4.0397 4.1201 4.1201 6.4494 6.4494 6.9872 6.9872 7.0506 7.0506 7.4291 7.4291 9.0452 9.0452 10.3933 10.3933 10.7947 10.7947 11.0438 11.0438 11.4125 11.4125 12.6977 12.6977 12.7641 12.7641 12.9549 12.9549 13.1754 13.1754 13.4181 13.4181 13.5113 13.5113 14.1125 14.1125 14.4854 14.4854 14.6923 14.6923 15.0905 15.0905 15.1464 15.1464 15.2087 15.2087 16.4377 16.4377 16.5132 16.5132 17.1055 17.1055 17.6829 17.6829 k =-0.4255 0.5078 0.3271 ( 3682 PWs) bands (ev): 3.5677 3.5677 4.0876 4.0876 4.1599 4.1599 6.3550 6.3550 6.8917 6.8917 6.9433 6.9433 7.4793 7.4793 9.0835 9.0835 10.3779 10.3779 10.8516 10.8516 11.0242 11.0242 11.3847 11.3847 12.7605 12.7605 12.7849 12.7849 12.9921 12.9921 13.1492 13.1492 13.4267 13.4267 13.4810 13.4810 14.1148 14.1148 14.5032 14.5032 14.7297 14.7297 15.0720 15.0720 15.1475 15.1475 15.2634 15.2634 16.4239 16.4239 16.4853 16.4853 17.1108 17.1108 17.6435 17.6435 k =-0.4255 0.5078 0.3427 ( 3678 PWs) bands (ev): 3.6120 3.6120 4.1376 4.1376 4.2009 4.2009 6.2612 6.2612 6.7957 6.7957 6.8365 6.8365 7.5345 7.5345 9.1257 9.1257 10.3430 10.3430 10.9079 10.9079 11.0005 11.0005 11.3738 11.3738 12.7584 12.7584 12.8579 12.8579 13.0108 13.0108 13.1257 13.1257 13.4360 13.4360 13.4581 13.4581 14.1235 14.1235 14.5192 14.5192 14.7799 14.7799 15.0572 15.0572 15.1527 15.1527 15.3218 15.3218 16.3408 16.3408 16.5295 16.5295 17.1167 17.1167 17.6085 17.6085 k =-0.4255 0.5078 0.3583 ( 3680 PWs) bands (ev): 3.6581 3.6581 4.1898 4.1898 4.2431 4.2431 6.1687 6.1687 6.6990 6.6990 6.7311 6.7311 7.5936 7.5936 9.1715 9.1715 10.2898 10.2898 10.9636 10.9636 10.9729 10.9729 11.3788 11.3788 12.7454 12.7454 12.9206 12.9206 13.0166 13.0166 13.1109 13.1109 13.4306 13.4306 13.4541 13.4541 14.1382 14.1382 14.5326 14.5326 14.8430 14.8430 15.0487 15.0487 15.1620 15.1620 15.3819 15.3819 16.2592 16.2592 16.5752 16.5752 17.1232 17.1232 17.5792 17.5792 k =-0.4255 0.5078 0.3739 ( 3680 PWs) bands (ev): 3.7060 3.7060 4.2438 4.2438 4.2863 4.2863 6.0780 6.0780 6.6005 6.6005 6.6290 6.6290 7.6563 7.6563 9.2204 9.2204 10.2213 10.2213 10.9398 10.9398 11.0207 11.0207 11.3973 11.3973 12.7240 12.7240 12.9528 12.9528 13.0152 13.0152 13.1204 13.1204 13.4210 13.4210 13.4564 13.4564 14.1572 14.1572 14.5429 14.5429 14.9135 14.9135 15.0530 15.0530 15.1752 15.1752 15.4421 15.4421 16.1799 16.1799 16.6216 16.6216 17.1304 17.1304 17.5566 17.5566 k =-0.4255 0.5078 0.3894 ( 3688 PWs) bands (ev): 3.7555 3.7555 4.2992 4.2992 4.3308 4.3308 5.9898 5.9898 6.4994 6.4994 6.5314 6.5314 7.7223 7.7223 9.2722 9.2722 10.1408 10.1408 10.9028 10.9028 11.0775 11.0775 11.4261 11.4261 12.6951 12.6951 12.9448 12.9448 13.0102 13.0102 13.1625 13.1625 13.4173 13.4173 13.4535 13.4535 14.1787 14.1787 14.5499 14.5499 14.9697 14.9697 15.0907 15.0907 15.1925 15.1925 15.5009 15.5009 16.1031 16.1031 16.6687 16.6687 17.1380 17.1380 17.5419 17.5419 k =-0.4255 0.5078 0.4050 ( 3690 PWs) bands (ev): 3.8066 3.8066 4.3541 4.3541 4.3780 4.3780 5.9046 5.9046 6.3963 6.3963 6.4380 6.4380 7.7913 7.7913 9.3267 9.3267 10.0514 10.0514 10.8614 10.8614 11.1350 11.1350 11.4625 11.4625 12.6599 12.6599 12.9133 12.9133 13.0046 13.0046 13.2197 13.2197 13.4175 13.4175 13.4473 13.4473 14.2010 14.2010 14.5536 14.5536 14.9945 14.9945 15.1751 15.1751 15.2164 15.2164 15.5568 15.5568 16.0288 16.0288 16.7165 16.7165 17.1461 17.1461 17.5367 17.5367 k =-0.4255 0.5078 0.4206 ( 3687 PWs) bands (ev): 3.8593 3.8593 4.4040 4.4040 4.4317 4.4317 5.8231 5.8231 6.2930 6.2930 6.3475 6.3475 7.8633 7.8633 9.3836 9.3836 9.9558 9.9558 10.8157 10.8157 11.1930 11.1930 11.5041 11.5041 12.6198 12.6198 12.8711 12.8711 13.0002 13.0002 13.2788 13.2788 13.4125 13.4125 13.4468 13.4468 14.2232 14.2232 14.5540 14.5540 15.0078 15.0078 15.2320 15.2320 15.2991 15.2991 15.6081 15.6081 15.9573 15.9573 16.7650 16.7650 17.1543 17.1543 17.5420 17.5420 k =-0.4255 0.5078 0.4362 ( 3687 PWs) bands (ev): 3.9133 3.9133 4.4477 4.4477 4.4924 4.4924 5.7463 5.7463 6.1903 6.1903 6.2593 6.2593 7.9380 7.9380 9.4429 9.4429 9.8558 9.8558 10.7658 10.7658 11.2515 11.2515 11.5491 11.5491 12.5759 12.5759 12.8230 12.8230 12.9979 12.9979 13.3348 13.3348 13.3968 13.3968 13.4575 13.4575 14.2445 14.2445 14.5513 14.5513 15.0213 15.0213 15.2611 15.2611 15.4268 15.4268 15.6530 15.6530 15.8888 15.8888 16.8139 16.8139 17.1626 17.1626 17.5588 17.5589 k =-0.4255 0.5078 0.4518 ( 3686 PWs) bands (ev): 3.9686 3.9686 4.4871 4.4871 4.5570 4.5570 5.6751 5.6751 6.0886 6.0886 6.1734 6.1734 8.0154 8.0154 9.5042 9.5042 9.7530 9.7530 10.7121 10.7121 11.3104 11.3104 11.5960 11.5960 12.5295 12.5295 12.7714 12.7714 12.9983 12.9983 13.3719 13.3719 13.3893 13.3893 13.4738 13.4738 14.2649 14.2649 14.5458 14.5458 15.0375 15.0375 15.2922 15.2922 15.5635 15.5635 15.6904 15.6904 15.8246 15.8246 16.8627 16.8627 17.1707 17.1707 17.5881 17.5881 k =-0.4255 0.5078 0.4673 ( 3686 PWs) bands (ev): 4.0250 4.0250 4.5220 4.5220 4.6245 4.6245 5.6111 5.6111 5.9882 5.9882 6.0897 6.0897 8.0954 8.0954 9.5674 9.5674 9.6485 9.6485 10.6549 10.6549 11.3696 11.3696 11.6437 11.6437 12.4818 12.4818 12.7175 12.7175 13.0017 13.0017 13.3490 13.3490 13.4330 13.4330 13.4926 13.4926 14.2844 14.2844 14.5378 14.5378 15.0572 15.0572 15.3259 15.3259 15.6887 15.6887 15.7223 15.7223 15.7786 15.7786 16.9105 16.9105 17.1784 17.1784 17.6297 17.6297 k =-0.4255 0.5078 0.4829 ( 3683 PWs) bands (ev): 4.0823 4.0823 4.5509 4.5509 4.6943 4.6943 5.5561 5.5561 5.8892 5.8892 6.0085 6.0085 8.1780 8.1780 9.5430 9.5430 9.6324 9.6324 10.5945 10.5945 11.4288 11.4288 11.6908 11.6908 12.4341 12.4341 12.6623 12.6623 13.0083 13.0083 13.3226 13.3226 13.4723 13.4723 13.5124 13.5124 14.3033 14.3033 14.5276 14.5276 15.0804 15.0804 15.3621 15.3621 15.6829 15.6829 15.7379 15.7379 15.8787 15.8787 16.9561 16.9561 17.1853 17.1853 17.6784 17.6785 k =-0.4255 0.5078 0.4985 ( 3684 PWs) bands (ev): 4.1401 4.1401 4.5721 4.5721 4.7665 4.7665 5.5120 5.5120 5.7918 5.7918 5.9301 5.9301 8.2630 8.2630 9.4374 9.4374 9.6988 9.6988 10.5314 10.5314 11.4878 11.4878 11.7358 11.7358 12.3879 12.3879 12.6066 12.6066 13.0180 13.0180 13.2949 13.2949 13.5050 13.5050 13.5324 13.5324 14.3215 14.3215 14.5158 14.5158 15.1069 15.1069 15.4002 15.4002 15.6288 15.6288 15.7465 15.7465 16.0317 16.0317 16.9980 16.9980 17.1907 17.1907 17.7040 17.7040 k =-0.4255 0.5078 0.5141 ( 3693 PWs) bands (ev): 4.1982 4.1982 4.5833 4.5833 4.8408 4.8408 5.4811 5.4811 5.6960 5.6960 5.8547 5.8547 8.3504 8.3504 9.3319 9.3319 9.7666 9.7666 10.4660 10.4660 11.5462 11.5462 11.7765 11.7765 12.3455 12.3455 12.5510 12.5510 13.0307 13.0307 13.2668 13.2668 13.5313 13.5313 13.5514 13.5514 14.3393 14.3393 14.5025 14.5025 15.1364 15.1364 15.4394 15.4394 15.5740 15.5740 15.7464 15.7464 16.1915 16.1915 17.0352 17.0352 17.1936 17.1936 17.7280 17.7280 k =-0.4255 0.5078 0.5296 ( 3703 PWs) bands (ev): 4.2560 4.2560 4.5830 4.5830 4.9173 4.9173 5.4651 5.4651 5.6019 5.6019 5.7828 5.7828 8.4401 8.4401 9.2271 9.2271 9.8355 9.8355 10.3987 10.3987 11.6034 11.6034 11.8098 11.8098 12.3101 12.3101 12.4963 12.4963 13.0462 13.0462 13.2384 13.2384 13.5521 13.5521 13.5682 13.5682 14.3567 14.3567 14.4881 14.4881 15.1688 15.1688 15.4764 15.4764 15.5239 15.5239 15.7379 15.7379 16.3549 16.3549 17.0674 17.0674 17.1931 17.1931 17.7302 17.7302 k =-0.4255 0.5078 0.5452 ( 3705 PWs) bands (ev): 4.3131 4.3131 4.5705 4.5705 4.9959 4.9959 5.4645 5.4645 5.5098 5.5098 5.7152 5.7152 8.5319 8.5319 9.1233 9.1233 9.9054 9.9054 10.3299 10.3299 11.6587 11.6587 11.8315 11.8315 12.2860 12.2860 12.4434 12.4434 13.0642 13.0642 13.2103 13.2103 13.5684 13.5684 13.5814 13.5814 14.3740 14.3740 14.4730 14.4730 15.2039 15.2039 15.4627 15.4627 15.5268 15.5268 15.7218 15.7218 16.5212 16.5212 17.0948 17.0948 17.1888 17.1888 17.5549 17.5549 k =-0.4255 0.5078 0.5608 ( 3705 PWs) bands (ev): 4.3684 4.3684 4.5462 4.5462 5.0765 5.0765 5.4190 5.4190 5.4795 5.4795 5.6526 5.6526 8.6259 8.6259 9.0206 9.0206 9.9760 9.9760 10.2600 10.2600 11.7109 11.7109 11.8373 11.8373 12.2776 12.2776 12.3937 12.3937 13.0844 13.0844 13.1828 13.1828 13.5808 13.5808 13.5903 13.5903 14.3911 14.3911 14.4573 14.4573 15.2415 15.2415 15.4154 15.4154 15.5647 15.5647 15.6992 15.6992 16.6896 16.6896 17.1182 17.1182 17.1807 17.1807 17.3800 17.3800 k =-0.4255 0.5078 0.5764 ( 3707 PWs) bands (ev): 4.4210 4.4210 4.5119 4.5119 5.1592 5.1592 5.3305 5.3305 5.5076 5.5076 5.5961 5.5961 8.7219 8.7219 8.9194 8.9194 10.0470 10.0470 10.1893 10.1893 11.7582 11.7582 11.8254 11.8254 12.2869 12.2869 12.3489 12.3489 13.1067 13.1067 13.1562 13.1562 13.5893 13.5893 13.5944 13.5944 14.4080 14.4080 14.4411 14.4411 15.2817 15.2817 15.3688 15.3688 15.6027 15.6027 15.6710 15.6710 16.8599 16.8599 17.1380 17.1380 17.1680 17.1680 17.2072 17.2072 k =-0.4255 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4694 4.4694 4.4694 4.4694 5.2439 5.2439 5.2439 5.2439 5.5472 5.5472 5.5472 5.5472 8.8198 8.8198 8.8198 8.8198 10.1182 10.1182 10.1182 10.1182 11.7977 11.7977 11.7977 11.7977 12.3120 12.3120 12.3120 12.3120 13.1308 13.1308 13.1308 13.1308 13.5939 13.5939 13.5939 13.5939 14.4247 14.4247 14.4247 14.4247 15.3241 15.3241 15.3241 15.3241 15.6385 15.6385 15.6385 15.6385 17.0315 17.0315 17.0315 17.0315 17.1559 17.1559 17.1559 17.1559 k =-0.4255 0.5078 0.5920 ( 3708 PWs) bands (ev): 4.4694 4.4694 4.4694 4.4694 5.2439 5.2439 5.2439 5.2439 5.5472 5.5472 5.5472 5.5472 8.8198 8.8198 8.8198 8.8198 10.1182 10.1182 10.1182 10.1182 11.7977 11.7977 11.7977 11.7977 12.3120 12.3120 12.3120 12.3120 13.1308 13.1308 13.1308 13.1308 13.5939 13.5939 13.5939 13.5939 14.4247 14.4247 14.4247 14.4247 15.3241 15.3241 15.3241 15.3241 15.6385 15.6385 15.6385 15.6385 17.0315 17.0315 17.0315 17.0315 17.1559 17.1559 17.1559 17.1559 k =-0.4349 0.4967 0.5920 ( 3704 PWs) bands (ev): 4.4803 4.4803 4.4803 4.4803 5.2339 5.2339 5.2339 5.2339 5.5512 5.5512 5.5512 5.5512 8.7919 8.7919 8.7919 8.7919 10.1297 10.1297 10.1297 10.1297 11.7950 11.7950 11.7950 11.7950 12.3200 12.3200 12.3200 12.3200 13.1490 13.1490 13.1490 13.1490 13.5923 13.5923 13.5923 13.5923 14.4024 14.4024 14.4024 14.4024 15.3248 15.3248 15.3248 15.3248 15.6558 15.6558 15.6558 15.6558 17.0253 17.0253 17.0253 17.0253 17.1487 17.1487 17.1487 17.1487 k =-0.4442 0.4856 0.5920 ( 3702 PWs) bands (ev): 4.4897 4.4897 4.4897 4.4897 5.2253 5.2253 5.2253 5.2253 5.5552 5.5552 5.5552 5.5552 8.7672 8.7672 8.7672 8.7672 10.1395 10.1395 10.1395 10.1395 11.7924 11.7924 11.7924 11.7924 12.3273 12.3273 12.3273 12.3273 13.1657 13.1657 13.1657 13.1657 13.5909 13.5909 13.5909 13.5909 14.3820 14.3820 14.3820 14.3820 15.3255 15.3255 15.3255 15.3255 15.6711 15.6711 15.6711 15.6711 17.0200 17.0200 17.0200 17.0200 17.1425 17.1425 17.1425 17.1425 k =-0.4535 0.4745 0.5920 ( 3698 PWs) bands (ev): 4.4975 4.4975 4.4975 4.4975 5.2180 5.2180 5.2180 5.2180 5.5589 5.5589 5.5589 5.5589 8.7459 8.7459 8.7459 8.7459 10.1479 10.1479 10.1479 10.1479 11.7900 11.7900 11.7900 11.7900 12.3337 12.3337 12.3337 12.3337 13.1806 13.1806 13.1806 13.1806 13.5898 13.5898 13.5898 13.5898 14.3640 14.3640 14.3640 14.3640 15.3263 15.3263 15.3263 15.3263 15.6844 15.6844 15.6844 15.6844 17.0154 17.0154 17.0154 17.0154 17.1373 17.1373 17.1373 17.1373 k =-0.4628 0.4634 0.5920 ( 3698 PWs) bands (ev): 4.5039 4.5039 4.5039 4.5039 5.2119 5.2119 5.2119 5.2119 5.5623 5.5623 5.5623 5.5623 8.7281 8.7281 8.7281 8.7281 10.1548 10.1548 10.1548 10.1548 11.7879 11.7879 11.7879 11.7879 12.3390 12.3390 12.3390 12.3390 13.1933 13.1933 13.1933 13.1933 13.5890 13.5890 13.5890 13.5890 14.3486 14.3486 14.3486 14.3486 15.3269 15.3269 15.3269 15.3269 15.6955 15.6955 15.6955 15.6955 17.0115 17.0115 17.0115 17.0115 17.1330 17.1330 17.1330 17.1330 k =-0.4721 0.4523 0.5920 ( 3696 PWs) bands (ev): 4.5088 4.5088 4.5088 4.5088 5.2073 5.2073 5.2073 5.2073 5.5650 5.5650 5.5650 5.5650 8.7141 8.7141 8.7141 8.7141 10.1601 10.1601 10.1601 10.1601 11.7863 11.7863 11.7863 11.7863 12.3432 12.3432 12.3432 12.3432 13.2035 13.2035 13.2035 13.2035 13.5884 13.5884 13.5884 13.5884 14.3363 14.3363 14.3363 14.3363 15.3274 15.3274 15.3274 15.3274 15.7042 15.7042 15.7042 15.7042 17.0086 17.0086 17.0086 17.0086 17.1297 17.1297 17.1297 17.1297 k =-0.4814 0.4412 0.5920 ( 3692 PWs) bands (ev): 4.5123 4.5123 4.5123 4.5123 5.2039 5.2039 5.2039 5.2039 5.5671 5.5671 5.5671 5.5671 8.7040 8.7040 8.7040 8.7040 10.1639 10.1639 10.1639 10.1639 11.7851 11.7851 11.7851 11.7851 12.3463 12.3463 12.3463 12.3463 13.2110 13.2110 13.2110 13.2110 13.5880 13.5880 13.5880 13.5880 14.3272 14.3272 14.3272 14.3272 15.3278 15.3278 15.3278 15.3278 15.7106 15.7106 15.7106 15.7106 17.0064 17.0064 17.0064 17.0064 17.1274 17.1274 17.1274 17.1274 k =-0.4907 0.4301 0.5920 ( 3700 PWs) bands (ev): 4.5144 4.5144 4.5144 4.5144 5.2019 5.2019 5.2019 5.2019 5.5684 5.5684 5.5684 5.5684 8.6979 8.6979 8.6979 8.6979 10.1661 10.1661 10.1661 10.1661 11.7843 11.7843 11.7843 11.7843 12.3481 12.3481 12.3481 12.3481 13.2156 13.2156 13.2156 13.2156 13.5877 13.5877 13.5877 13.5877 14.3217 14.3217 14.3217 14.3217 15.3281 15.3281 15.3281 15.3281 15.7144 15.7144 15.7144 15.7144 17.0051 17.0051 17.0051 17.0051 17.1259 17.1259 17.1259 17.1259 k =-0.5000 0.4190 0.5920 ( 3700 PWs) bands (ev): 4.5151 4.5151 4.5151 4.5151 5.2012 5.2012 5.2012 5.2012 5.5688 5.5688 5.5688 5.5688 8.6958 8.6958 8.6958 8.6958 10.1669 10.1669 10.1669 10.1669 11.7840 11.7840 11.7840 11.7840 12.3487 12.3487 12.3487 12.3487 13.2172 13.2172 13.2172 13.2172 13.5876 13.5876 13.5876 13.5876 14.3198 14.3198 14.3198 14.3198 15.3282 15.3282 15.3282 15.3282 15.7157 15.7157 15.7157 15.7157 17.0047 17.0047 17.0047 17.0047 17.1255 17.1255 17.1255 17.1255 k =-0.5000 0.4190 0.5920 ( 3700 PWs) bands (ev): 4.5151 4.5151 4.5151 4.5151 5.2012 5.2012 5.2012 5.2012 5.5688 5.5688 5.5688 5.5688 8.6958 8.6958 8.6958 8.6958 10.1669 10.1669 10.1669 10.1669 11.7840 11.7840 11.7840 11.7840 12.3487 12.3487 12.3487 12.3487 13.2172 13.2172 13.2172 13.2172 13.5876 13.5876 13.5876 13.5876 14.3198 14.3198 14.3198 14.3198 15.3282 15.3282 15.3282 15.3282 15.7157 15.7157 15.7157 15.7157 17.0047 17.0047 17.0047 17.0047 17.1255 17.1255 17.1255 17.1255 k =-0.5000 0.4190 0.5764 ( 3696 PWs) bands (ev): 4.4715 4.4715 4.5519 4.5519 5.1163 5.1163 5.2882 5.2882 5.5339 5.5339 5.6139 5.6139 8.5954 8.5954 8.7981 8.7981 10.0984 10.0984 10.2350 10.2350 11.7534 11.7534 11.8027 11.8027 12.3306 12.3306 12.3790 12.3790 13.2067 13.2067 13.2290 13.2290 13.5833 13.5833 13.5875 13.5875 14.3094 14.3094 14.3308 14.3308 15.2854 15.2854 15.3731 15.3731 15.6766 15.6766 15.7512 15.7512 16.8317 16.8317 17.1197 17.1197 17.1270 17.1270 17.1815 17.1815 k =-0.5000 0.4190 0.5608 ( 3692 PWs) bands (ev): 4.4230 4.4230 4.5799 4.5799 5.0333 5.0333 5.3770 5.3770 5.5112 5.5112 5.6674 5.6674 8.4969 8.4969 8.9020 8.9020 10.0297 10.0297 10.3023 10.3023 11.7137 11.7137 11.8070 11.8070 12.3269 12.3269 12.4185 12.4185 13.1979 13.1979 13.2416 13.2416 13.5749 13.5749 13.5823 13.5823 14.2998 14.2998 14.3424 14.3424 15.2449 15.2449 15.4200 15.4200 15.6351 15.6351 15.7819 15.7819 16.6598 16.6598 17.1160 17.1160 17.1267 17.1267 17.3560 17.3560 k =-0.5000 0.4190 0.5452 ( 3696 PWs) bands (ev): 4.3710 4.3710 4.5973 4.5973 4.9524 4.9524 5.4675 5.4675 5.5027 5.5027 5.7276 5.7276 8.4004 8.4004 9.0074 9.0074 9.9612 9.9612 10.3685 10.3685 11.6675 11.6675 11.7968 11.7968 12.3378 12.3378 12.4648 12.4648 13.1914 13.1914 13.2547 13.2547 13.5626 13.5626 13.5720 13.5720 14.2907 14.2907 14.3545 14.3545 15.2065 15.2065 15.4686 15.4686 15.5926 15.5926 15.8065 15.8065 16.4895 16.4895 17.1099 17.1099 17.1238 17.1238 17.5322 17.5322 k =-0.5000 0.4190 0.5296 ( 3696 PWs) bands (ev): 4.3169 4.3169 4.6031 4.6031 4.8737 4.8737 5.5083 5.5083 5.5608 5.5608 5.7934 5.7934 8.3061 8.3061 9.1142 9.1142 9.8932 9.8932 10.4332 10.4332 11.6169 11.6169 11.7741 11.7741 12.3610 12.3610 12.5157 12.5157 13.1875 13.1875 13.2676 13.2676 13.5470 13.5470 13.5561 13.5561 14.2824 14.2824 14.3670 14.3670 15.1703 15.1703 15.5151 15.5151 15.5537 15.5537 15.8235 15.8235 16.3214 16.3214 17.1007 17.1007 17.1193 17.1193 17.7091 17.7149 k =-0.5000 0.4190 0.5141 ( 3698 PWs) bands (ev): 4.2615 4.2615 4.5972 4.5972 4.7970 4.7970 5.5298 5.5298 5.6551 5.6551 5.8637 5.8637 8.2140 8.2140 9.2219 9.2219 9.8258 9.8258 10.4960 10.4960 11.5632 11.5632 11.7421 11.7421 12.3935 12.3935 12.5699 12.5699 13.1865 13.1865 13.2799 13.2799 13.5285 13.5285 13.5344 13.5344 14.2747 14.2747 14.3798 14.3798 15.1365 15.1365 15.5009 15.5009 15.5776 15.5776 15.8317 15.8317 16.1562 16.1562 17.0856 17.0856 17.1154 17.1154 17.7488 17.7488 k =-0.5000 0.4190 0.4985 ( 3694 PWs) bands (ev): 4.2056 4.2056 4.5807 4.5807 4.7225 4.7225 5.5650 5.5650 5.7514 5.7514 5.9379 5.9379 8.1242 8.1242 9.3304 9.3304 9.7594 9.7594 10.5566 10.5566 11.5075 11.5075 11.7038 11.7038 12.4320 12.4320 12.6266 12.6266 13.1890 13.1890 13.2910 13.2910 13.5067 13.5067 13.5074 13.5074 14.2678 14.2678 14.3927 14.3927 15.1051 15.1051 15.4602 15.4602 15.6296 15.6296 15.8297 15.8297 15.9955 15.9955 17.0632 17.0632 17.1131 17.1131 17.7152 17.7155 k =-0.5000 0.4190 0.4829 ( 3690 PWs) bands (ev): 4.1496 4.1496 4.5555 4.5555 4.6504 4.6504 5.6121 5.6121 5.8493 5.8493 6.0155 6.0155 8.0369 8.0369 9.4393 9.4393 9.6940 9.6940 10.6146 10.6146 11.4503 11.4503 11.6616 11.6616 12.4742 12.4742 12.6849 12.6849 13.1953 13.1953 13.3002 13.3002 13.4731 13.4731 13.4841 13.4841 14.2615 14.2615 14.4057 14.4057 15.0761 15.0761 15.4201 15.4201 15.6758 15.6758 15.8165 15.8165 15.8477 15.8477 17.0339 17.0339 17.1123 17.1123 17.6404 17.6404 k =-0.5000 0.4190 0.4673 ( 3686 PWs) bands (ev): 4.0940 4.0940 4.5231 4.5231 4.5809 4.5809 5.6693 5.6693 5.9489 5.9489 6.0959 6.0959 7.9520 7.9520 9.5481 9.5481 9.6301 9.6301 10.6696 10.6696 11.3921 11.3921 11.6174 11.6174 12.5180 12.5180 12.7443 12.7443 13.2055 13.2055 13.3068 13.3068 13.4333 13.4333 13.4592 13.4592 14.2559 14.2559 14.4185 14.4185 15.0498 15.0498 15.3818 15.3818 15.6400 15.6400 15.7866 15.7866 15.7940 15.7940 16.9988 16.9988 17.1123 17.1123 17.5805 17.5805 k =-0.5000 0.4190 0.4518 ( 3684 PWs) bands (ev): 4.0391 4.0391 4.4842 4.4842 4.5153 4.5153 5.7347 5.7347 6.0500 6.0500 6.1788 6.1788 7.8698 7.8698 9.5677 9.5677 9.6563 9.6563 10.7213 10.7213 11.3333 11.3333 11.5724 11.5724 12.5622 12.5622 12.8044 12.8044 13.2200 13.2200 13.3100 13.3100 13.3876 13.3876 13.4331 13.4331 14.2510 14.2510 14.4307 14.4307 15.0263 15.0263 15.3459 15.3459 15.5052 15.5052 15.7578 15.7578 15.8350 15.8350 16.9591 16.9591 17.1123 17.1123 17.5370 17.5370 k =-0.5000 0.4190 0.4362 ( 3678 PWs) bands (ev): 3.9852 3.9852 4.4351 4.4351 4.4588 4.4588 5.8066 5.8066 6.1526 6.1526 6.2639 6.2639 7.7901 7.7901 9.5070 9.5070 9.7630 9.7630 10.7693 10.7693 11.2740 11.2740 11.5281 11.5281 12.6057 12.6057 12.8649 12.8649 13.2388 13.2388 13.3087 13.3087 13.3363 13.3363 13.4066 13.4066 14.2466 14.2466 14.4420 14.4420 15.0058 15.0058 15.3105 15.3105 15.3654 15.3654 15.7125 15.7125 15.8981 15.8981 16.9162 16.9162 17.1118 17.1118 17.5100 17.5100 k =-0.5000 0.4190 0.4206 ( 3678 PWs) bands (ev): 3.9323 3.9323 4.3761 4.3761 4.4124 4.4124 5.8840 5.8840 6.2565 6.2565 6.3510 6.3510 7.7132 7.7132 9.4482 9.4482 9.8674 9.8674 10.8135 10.8135 11.2145 11.2145 11.4855 11.4855 12.6471 12.6471 12.9253 12.9253 13.2617 13.2617 13.2797 13.2797 13.3021 13.3021 13.3803 13.3803 14.2427 14.2427 14.4515 14.4515 14.9886 14.9886 15.2201 15.2201 15.2890 15.2890 15.6587 15.6587 15.9663 15.9663 16.8710 16.8710 17.1098 17.1098 17.4992 17.4992 k =-0.5000 0.4190 0.4050 ( 3678 PWs) bands (ev): 3.8808 3.8808 4.3158 4.3158 4.3684 4.3684 5.9658 5.9658 6.3615 6.3615 6.4399 6.4399 7.6392 7.6392 9.3916 9.3916 9.9681 9.9681 10.8537 10.8537 11.1547 11.1547 11.4460 11.4460 12.6857 12.6857 12.9849 12.9849 13.2185 13.2185 13.2854 13.2854 13.2929 13.2929 13.3547 13.3547 14.2393 14.2393 14.4583 14.4583 14.9749 14.9749 15.0936 15.0936 15.2610 15.2610 15.5981 15.5981 16.0379 16.0379 16.8245 16.8245 17.1064 17.1064 17.5031 17.5031 k =-0.5000 0.4190 0.3894 ( 3672 PWs) bands (ev): 3.8307 3.8307 4.2570 4.2570 4.3247 4.3247 6.0512 6.0512 6.4675 6.4675 6.5303 6.5303 7.5682 7.5682 9.3372 9.3372 10.0633 10.0633 10.8898 10.8898 11.0949 11.0949 11.4112 11.4112 12.7202 12.7202 13.0410 13.0410 13.1561 13.1561 13.2678 13.2678 13.3207 13.3207 13.3308 13.3308 14.2363 14.2363 14.4606 14.4606 14.9616 14.9616 14.9817 14.9817 15.2378 15.2378 15.5328 15.5328 16.1126 16.1126 16.7772 16.7772 17.1017 17.1017 17.5198 17.5198 k =-0.5000 0.4190 0.3739 ( 3668 PWs) bands (ev): 3.7821 3.7821 4.2001 4.2001 4.2814 4.2814 6.1399 6.1399 6.5741 6.5741 6.6221 6.6221 7.5006 7.5006 9.2854 9.2854 10.1509 10.1509 10.9218 10.9218 11.0350 11.0350 11.3832 11.3832 12.7494 12.7494 13.0586 13.0586 13.1274 13.1274 13.2401 13.2401 13.3056 13.3056 13.3572 13.3572 14.2335 14.2335 14.4557 14.4557 14.8769 14.8769 14.9622 14.9622 15.2182 15.2182 15.4647 15.4647 16.1903 16.1903 16.7296 16.7296 17.0964 17.0964 17.5469 17.5469 k =-0.5000 0.4190 0.3583 ( 3670 PWs) bands (ev): 3.7351 3.7351 4.1453 4.1453 4.2387 4.2387 6.2313 6.2313 6.6802 6.6802 6.7155 6.7155 7.4366 7.4366 9.2363 9.2363 10.2279 10.2279 10.9498 10.9498 10.9749 10.9749 11.3644 11.3644 12.7720 12.7720 12.9969 12.9969 13.1721 13.1721 13.2033 13.2033 13.2857 13.2857 13.3955 13.3955 14.2308 14.2308 14.4402 14.4402 14.7996 14.7996 14.9619 14.9619 15.2017 15.2017 15.3958 15.3958 16.2707 16.2707 16.6819 16.6819 17.0908 17.0908 17.5822 17.5822 k =-0.5000 0.4190 0.3427 ( 3682 PWs) bands (ev): 3.6898 3.6898 4.0928 4.0928 4.1968 4.1968 6.3250 6.3250 6.7838 6.7838 6.8116 6.8116 7.3773 7.3773 9.1902 9.1902 10.2910 10.2910 10.9147 10.9147 10.9739 10.9739 11.3577 11.3577 12.7865 12.7865 12.9222 12.9222 13.1498 13.1498 13.2260 13.2260 13.2754 13.2754 13.4364 13.4364 14.2280 14.2280 14.4123 14.4123 14.7470 14.7470 14.9674 14.9674 15.1884 15.1884 15.3278 15.3278 16.3538 16.3538 16.6344 16.6344 17.0854 17.0854 17.6237 17.6237 k =-0.5000 0.4190 0.3271 ( 3682 PWs) bands (ev): 3.6462 3.6462 4.0424 4.0424 4.1561 4.1561 6.4208 6.4208 6.8799 6.8799 6.9129 6.9129 7.3245 7.3245 9.1474 9.1474 10.3370 10.3370 10.8543 10.8543 10.9943 10.9943 11.3660 11.3660 12.7921 12.7921 12.8445 12.8445 13.0847 13.0847 13.2508 13.2508 13.2995 13.2995 13.4791 13.4791 14.2250 14.2250 14.3748 14.3748 14.7174 14.7174 14.9791 14.9791 15.1776 15.1776 15.2625 15.2625 16.4394 16.4394 16.5872 16.5872 17.0804 17.0804 17.6697 17.6697 k =-0.5000 0.4190 0.3116 ( 3680 PWs) bands (ev): 3.6044 3.6044 3.9943 3.9943 4.1166 4.1166 6.5185 6.5185 6.9639 6.9639 7.0184 7.0184 7.2834 7.2834 9.1083 9.1083 10.3638 10.3638 10.7936 10.7936 11.0113 11.0113 11.3908 11.3908 12.7621 12.7621 12.7916 12.7916 13.0051 13.0051 13.2551 13.2551 13.3509 13.3509 13.5228 13.5228 14.2217 14.2217 14.3345 14.3345 14.7043 14.7043 14.9975 14.9975 15.1663 15.1663 15.2041 15.2041 16.5223 16.5223 16.5458 16.5458 17.0758 17.0758 17.7185 17.7185 k =-0.5000 0.4190 0.2960 ( 3680 PWs) bands (ev): 3.5644 3.5644 3.9485 3.9485 4.0785 4.0785 6.6177 6.6177 7.0246 7.0246 7.1251 7.1251 7.2678 7.2678 9.0731 9.0731 10.3709 10.3709 10.7325 10.7325 11.0251 11.0251 11.4318 11.4318 12.6820 12.6820 12.7801 12.7801 12.9123 12.9123 13.2625 13.2625 13.4046 13.4046 13.5666 13.5666 14.2178 14.2178 14.2971 14.2971 14.7013 14.7013 15.0228 15.0228 15.1320 15.1320 15.1764 15.1764 16.4915 16.4915 16.6211 16.6211 17.0715 17.0715 17.7686 17.7686 k =-0.5000 0.4190 0.2804 ( 3678 PWs) bands (ev): 3.5263 3.5263 3.9050 3.9050 4.0419 4.0419 6.7183 6.7183 7.0421 7.0421 7.2310 7.2310 7.2991 7.2991 9.0426 9.0426 10.3598 10.3598 10.6708 10.6708 11.0362 11.0362 11.4868 11.4868 12.6008 12.6008 12.7620 12.7620 12.8094 12.8094 13.2743 13.2743 13.4574 13.4574 13.6098 13.6098 14.2129 14.2129 14.2657 14.2657 14.7041 14.7041 15.0548 15.0548 15.0818 15.0818 15.1736 15.1736 16.4452 16.4452 16.7145 16.7145 17.0678 17.0678 17.8181 17.8181 k =-0.5000 0.4190 0.2648 ( 3688 PWs) bands (ev): 3.4901 3.4901 3.8638 3.8638 4.0070 4.0070 6.8201 6.8201 7.0231 7.0231 7.3344 7.3344 7.3712 7.3712 9.0171 9.0171 10.3330 10.3330 10.6083 10.6083 11.0447 11.0447 11.5522 11.5522 12.5199 12.5199 12.6886 12.6886 12.7479 12.7479 13.2893 13.2893 13.5086 13.5086 13.6515 13.6515 14.2065 14.2065 14.2418 14.2418 14.7100 14.7100 15.0346 15.0346 15.0929 15.0929 15.1784 15.1784 16.3989 16.3989 16.8106 16.8106 17.0644 17.0644 17.8651 17.8651 k =-0.5000 0.4190 0.2492 ( 3680 PWs) bands (ev): 3.4559 3.4559 3.8249 3.8249 3.9738 3.9738 6.9229 6.9229 6.9896 6.9896 7.4347 7.4347 7.4619 7.4619 8.9977 8.9977 10.2936 10.2936 10.5451 10.5451 11.0510 11.0510 11.6240 11.6240 12.4401 12.4401 12.5671 12.5671 12.7253 12.7253 13.3065 13.3065 13.5578 13.5578 13.6912 13.6912 14.1983 14.1983 14.2252 14.2252 14.7177 14.7177 14.9936 14.9936 15.1311 15.1311 15.1945 15.1945 16.3528 16.3528 16.9089 16.9089 17.0615 17.0615 17.9070 17.9070 k =-0.5000 0.4190 0.2337 ( 3680 PWs) bands (ev): 3.4236 3.4236 3.7883 3.7883 3.9423 3.9423 6.9521 6.9521 7.0266 7.0266 7.5331 7.5331 7.5583 7.5583 8.9851 8.9851 10.2441 10.2441 10.4808 10.4808 11.0554 11.0554 11.6984 11.6984 12.3614 12.3614 12.4385 12.4385 12.7044 12.7044 13.3247 13.3247 13.6046 13.6046 13.7285 13.7285 14.1891 14.1891 14.2143 14.2143 14.7263 14.7263 14.9594 14.9594 15.1579 15.1579 15.2331 15.2331 16.3069 16.3069 17.0069 17.0069 17.0615 17.0615 17.9411 17.9411 k =-0.5000 0.4190 0.2181 ( 3684 PWs) bands (ev): 3.3933 3.3933 3.7540 3.7540 3.9127 3.9127 6.9144 6.9144 7.1308 7.1308 7.6302 7.6302 7.6548 7.6548 8.9806 8.9806 10.1865 10.1865 10.4153 10.4153 11.0583 11.0583 11.7719 11.7719 12.2804 12.2804 12.3094 12.3094 12.6862 12.6862 13.3431 13.3431 13.6489 13.6489 13.7632 13.7632 14.1806 14.1806 14.2065 14.2065 14.7352 14.7352 14.9322 14.9322 15.1746 15.1746 15.2925 15.2925 16.2612 16.2612 17.0490 17.0490 17.1196 17.1196 17.9640 17.9640 k =-0.5000 0.4190 0.2025 ( 3680 PWs) bands (ev): 3.3651 3.3651 3.7221 3.7221 3.8849 3.8849 6.8781 6.8781 7.2353 7.2353 7.7236 7.7236 7.7505 7.7505 8.9855 8.9855 10.1225 10.1225 10.3486 10.3486 11.0598 11.0598 11.8412 11.8412 12.1606 12.1606 12.2186 12.2186 12.6724 12.6724 13.3614 13.3614 13.6904 13.6904 13.7951 13.7951 14.1736 14.1736 14.2001 14.2001 14.7441 14.7441 14.9125 14.9125 15.1895 15.1895 15.3638 15.3638 16.2157 16.2157 17.0474 17.0474 17.2232 17.2232 17.9725 17.9725 k =-0.5000 0.4190 0.1869 ( 3680 PWs) bands (ev): 3.3388 3.3388 3.6925 3.6925 3.8591 3.8591 6.8436 6.8436 7.3399 7.3399 7.8091 7.8091 7.8474 7.8474 9.0011 9.0011 10.0534 10.0534 10.2804 10.2804 11.0603 11.0603 11.9034 11.9034 12.0217 12.0217 12.1479 12.1479 12.6646 12.6646 13.3790 13.3790 13.7288 13.7288 13.8243 13.8243 14.1679 14.1679 14.1948 14.1948 14.7528 14.7528 14.9003 14.9003 15.2054 15.2054 15.4433 15.4433 16.1705 16.1705 17.0437 17.0437 17.3306 17.3306 17.9637 17.9637 k =-0.5000 0.4190 0.1714 ( 3682 PWs) bands (ev): 3.3146 3.3146 3.6653 3.6653 3.8352 3.8352 6.8115 6.8115 7.4442 7.4442 7.8841 7.8841 7.9459 7.9459 9.0287 9.0287 9.9802 9.9802 10.2108 10.2108 11.0600 11.0600 11.8799 11.8799 11.9567 11.9567 12.0824 12.0824 12.6643 12.6643 13.3961 13.3961 13.7639 13.7639 13.8508 13.8508 14.1629 14.1629 14.1905 14.1905 14.7610 14.7610 14.8957 14.8957 15.2232 15.2232 15.5290 15.5290 16.1256 16.1256 17.0390 17.0390 17.4404 17.4404 17.9365 17.9365 k =-0.5000 0.4190 0.1558 ( 3690 PWs) bands (ev): 3.2925 3.2925 3.6404 3.6404 3.8133 3.8133 6.7819 6.7819 7.5480 7.5480 7.9480 7.9480 8.0451 8.0451 9.0691 9.0691 9.9038 9.9038 10.1398 10.1398 11.0591 11.0591 11.7378 11.7378 11.9983 11.9983 12.0218 12.0218 12.6718 12.6718 13.4122 13.4122 13.7956 13.7956 13.8751 13.8751 14.1579 14.1579 14.1874 14.1874 14.7686 14.7686 14.8983 14.8983 15.2431 15.2431 15.6196 15.6196 16.0811 16.0811 17.0332 17.0332 17.5520 17.5520 17.8919 17.8919 k =-0.5000 0.4190 0.1402 ( 3690 PWs) bands (ev): 3.2724 3.2724 3.6179 3.6179 3.7934 3.7934 6.7550 6.7550 7.6506 7.6506 8.0007 8.0007 8.1439 8.1439 9.1225 9.1225 9.8251 9.8251 10.0675 10.0675 11.0577 11.0577 11.5958 11.5958 11.9653 11.9653 12.0297 12.0297 12.6869 12.6869 13.4276 13.4276 13.8238 13.8238 13.8972 13.8972 14.1526 14.1526 14.1856 14.1856 14.7757 14.7757 14.9079 14.9079 15.2652 15.2652 15.7136 15.7136 16.0370 16.0370 17.0261 17.0261 17.6652 17.6652 17.8332 17.8332 k =-0.5000 0.4190 0.1246 ( 3696 PWs) bands (ev): 3.2544 3.2544 3.5977 3.5977 3.7756 3.7756 6.7307 6.7307 7.7514 7.7514 8.0429 8.0429 8.2415 8.2415 9.1880 9.1880 9.7450 9.7450 9.9943 9.9943 11.0560 11.0560 11.4550 11.4550 11.9145 11.9145 12.0504 12.0504 12.7078 12.7078 13.4421 13.4421 13.8484 13.8484 13.9172 13.9172 14.1470 14.1470 14.1849 14.1849 14.7821 14.7821 14.9237 14.9237 15.2891 15.2891 15.8093 15.8093 15.9937 15.9937 17.0174 17.0174 17.7639 17.7639 17.7807 17.7807 k =-0.5000 0.4190 0.1090 ( 3700 PWs) bands (ev): 3.2385 3.2385 3.5799 3.5799 3.7598 3.7598 6.7092 6.7092 7.8496 7.8496 8.0756 8.0756 8.3371 8.3371 9.2641 9.2641 9.6645 9.6645 9.9207 9.9207 11.0543 11.0543 11.3165 11.3165 11.8692 11.8692 12.0627 12.0627 12.7323 12.7323 13.4556 13.4556 13.8695 13.8695 13.9354 13.9354 14.1413 14.1413 14.1851 14.1851 14.7879 14.7879 14.9446 14.9446 15.3148 15.3148 15.9046 15.9046 15.9514 15.9514 17.0066 17.0066 17.6923 17.6923 17.8954 17.8954 k =-0.5000 0.4190 0.0935 ( 3696 PWs) bands (ev): 3.2247 3.2247 3.5644 3.5644 3.7461 3.7461 6.6905 6.6905 7.9442 7.9442 8.1002 8.1002 8.4297 8.4297 9.3483 9.3483 9.5851 9.5851 9.8475 9.8475 11.0525 11.0525 11.1814 11.1814 11.8295 11.8295 12.0690 12.0690 12.7577 12.7577 13.4680 13.4680 13.8873 13.8873 13.9517 13.9517 14.1356 14.1356 14.1859 14.1859 14.7930 14.7930 14.9694 14.9694 15.3417 15.3417 15.9095 15.9095 15.9986 15.9986 16.9934 16.9934 17.6208 17.6208 18.0113 18.0113 k =-0.5000 0.4190 0.0779 ( 3688 PWs) bands (ev): 3.2130 3.2130 3.5514 3.5514 3.7345 3.7345 6.6747 6.6747 8.0333 8.0333 8.1182 8.1182 8.5179 8.5179 9.4374 9.4374 9.5084 9.5084 9.7759 9.7759 11.0496 11.0496 11.0529 11.0529 11.7957 11.7957 12.0712 12.0712 12.7820 12.7820 13.4792 13.4792 13.9020 13.9020 13.9658 13.9658 14.1302 14.1302 14.1869 14.1869 14.7973 14.7973 14.9963 14.9963 15.3693 15.3693 15.8700 15.8700 16.0870 16.0870 16.9778 16.9778 17.5550 17.5550 18.1266 18.1266 k =-0.5000 0.4190 0.0623 ( 3684 PWs) bands (ev): 3.2035 3.2035 3.5407 3.5407 3.7250 3.7250 6.6617 6.6617 8.1141 8.1141 8.1318 8.1318 8.5996 8.5996 9.4368 9.4368 9.5275 9.5275 9.7081 9.7081 10.9298 10.9298 11.0494 11.0494 11.7679 11.7679 12.0710 12.0710 12.8034 12.8034 13.4888 13.4888 13.9138 13.9138 13.9777 13.9777 14.1254 14.1254 14.1880 14.1880 14.8009 14.8009 15.0232 15.0232 15.3967 15.3967 15.8330 15.8330 16.1675 16.1675 16.9604 16.9604 17.4985 17.4985 18.2399 18.2399 k =-0.5000 0.4190 0.0467 ( 3690 PWs) bands (ev): 3.1960 3.1960 3.5324 3.5324 3.7175 3.7175 6.6516 6.6516 8.1391 8.1391 8.1865 8.1865 8.6719 8.6719 9.3736 9.3736 9.6107 9.6107 9.6496 9.6496 10.8202 10.8202 11.0482 11.0482 11.7462 11.7462 12.0697 12.0697 12.8208 12.8208 13.4966 13.4966 13.9228 13.9228 13.9872 13.9872 14.1213 14.1213 14.1889 14.1889 14.8037 14.8037 15.0477 15.0477 15.4226 15.4226 15.7997 15.7997 16.2363 16.2363 16.9427 16.9427 17.4537 17.4537 18.3484 18.3484 k =-0.5000 0.4190 0.0312 ( 3688 PWs) bands (ev): 3.1907 3.1907 3.5264 3.5264 3.7122 3.7122 6.6444 6.6444 8.1449 8.1449 8.2425 8.2425 8.7302 8.7302 9.3228 9.3228 9.5937 9.5937 9.6906 9.6906 10.7293 10.7293 11.0473 11.0473 11.7306 11.7306 12.0682 12.0682 12.8337 12.8337 13.5024 13.5024 13.9292 13.9292 13.9941 13.9941 14.1181 14.1181 14.1896 14.1896 14.8057 14.8057 15.0674 15.0674 15.4447 15.4447 15.7724 15.7724 16.2896 16.2896 16.9271 16.9271 17.4219 17.4219 18.3240 18.3240 k =-0.5000 0.4190 0.0156 ( 3692 PWs) bands (ev): 3.1875 3.1875 3.5229 3.5229 3.7091 3.7091 6.6400 6.6400 8.1481 8.1481 8.2791 8.2791 8.7690 8.7690 9.2895 9.2895 9.5601 9.5601 9.7426 9.7426 10.6672 10.6672 11.0467 11.0467 11.7213 11.7213 12.0670 12.0670 12.8415 12.8415 13.5060 13.5060 13.9330 13.9330 13.9983 13.9983 14.1161 14.1161 14.1901 14.1901 14.8069 14.8069 15.0803 15.0803 15.4602 15.4602 15.7538 15.7538 16.3235 16.3235 16.9163 16.9163 17.4030 17.4030 18.2845 18.2845 k =-0.5000 0.4190 0.0000 ( 3694 PWs) bands (ev): 3.1865 3.1865 3.5217 3.5217 3.7080 3.7080 6.6386 6.6386 8.1491 8.1491 8.2918 8.2918 8.7827 8.7827 9.2778 9.2778 9.5480 9.5480 9.7619 9.7619 10.6447 10.6447 11.0465 11.0465 11.7182 11.7182 12.0666 12.0666 12.8441 12.8441 13.5072 13.5072 13.9343 13.9343 13.9997 13.9997 14.1155 14.1155 14.1903 14.1903 14.8073 14.8073 15.0847 15.0847 15.4659 15.4659 15.7471 15.7471 16.3352 16.3352 16.9123 16.9123 17.3967 17.3967 18.2710 18.2710 k = 0.0000 0.0000 0.5920 ( 3666 PWs) bands (ev): 3.5783 3.5783 3.5783 3.5783 5.9212 5.9212 5.9212 5.9212 6.2976 6.2976 6.2976 6.2976 8.8442 8.8442 8.8442 8.8442 10.0515 10.0515 10.0515 10.0515 10.8139 10.8139 10.8139 10.8139 12.7244 12.7244 12.7244 12.7244 12.9529 12.9529 12.9529 12.9529 13.8703 13.8703 13.8703 13.8703 14.5504 14.5504 14.5504 14.5504 15.3826 15.3826 15.3826 15.3826 15.9500 15.9500 15.9500 15.9500 16.7612 16.7612 16.7612 16.7612 18.0043 18.0043 18.0043 18.0043 k =-0.0119 0.0100 0.5920 ( 3664 PWs) bands (ev): 3.5791 3.5791 3.5792 3.5792 5.9174 5.9174 5.9210 5.9210 6.2959 6.2959 6.3001 6.3001 8.8440 8.8440 8.8454 8.8454 10.0524 10.0524 10.0535 10.0535 10.8110 10.8110 10.8113 10.8113 12.7252 12.7252 12.7269 12.7269 12.9534 12.9534 12.9539 12.9539 13.8702 13.8702 13.8703 13.8703 14.5499 14.5499 14.5504 14.5504 15.3822 15.3822 15.3835 15.3835 15.9473 15.9473 15.9474 15.9474 16.7603 16.7603 16.7623 16.7623 18.0015 18.0015 18.0053 18.0053 k =-0.0238 0.0200 0.5920 ( 3668 PWs) bands (ev): 3.5817 3.5817 3.5818 3.5818 5.9098 5.9098 5.9170 5.9170 6.2948 6.2948 6.3030 6.3030 8.8449 8.8449 8.8476 8.8476 10.0559 10.0559 10.0583 10.0583 10.8030 10.8030 10.8035 10.8035 12.7291 12.7291 12.7326 12.7326 12.9555 12.9555 12.9566 12.9566 13.8698 13.8698 13.8699 13.8699 14.5487 14.5487 14.5497 14.5497 15.3824 15.3824 15.3848 15.3848 15.9393 15.9393 15.9395 15.9395 16.7597 16.7597 16.7636 16.7636 17.9969 17.9969 18.0043 18.0043 k =-0.0357 0.0299 0.5920 ( 3664 PWs) bands (ev): 3.5859 3.5859 3.5861 3.5861 5.8988 5.8988 5.9092 5.9092 6.2943 6.2943 6.3062 6.3062 8.8470 8.8470 8.8510 8.8510 10.0618 10.0618 10.0653 10.0653 10.7903 10.7903 10.7911 10.7911 12.7356 12.7356 12.7409 12.7409 12.9594 12.9594 12.9611 12.9611 13.8693 13.8693 13.8694 13.8694 14.5468 14.5468 14.5484 14.5484 15.3830 15.3830 15.3868 15.3868 15.9264 15.9264 15.9266 15.9266 16.7593 16.7593 16.7651 16.7651 17.9906 17.9906 18.0011 18.0011 k =-0.0476 0.0399 0.5920 ( 3668 PWs) bands (ev): 3.5919 3.5919 3.5921 3.5921 5.8848 5.8848 5.8979 5.8979 6.2941 6.2941 6.3093 6.3093 8.8503 8.8503 8.8555 8.8555 10.0693 10.0693 10.0738 10.0738 10.7741 10.7741 10.7750 10.7750 12.7441 12.7441 12.7512 12.7512 12.9653 12.9653 12.9676 12.9676 13.8684 13.8684 13.8686 13.8686 14.5442 14.5442 14.5463 14.5463 15.3841 15.3841 15.3892 15.3892 15.9087 15.9087 15.9088 15.9088 16.7592 16.7592 16.7669 16.7669 17.9825 17.9825 17.9957 17.9957 k =-0.0595 0.0499 0.5920 ( 3676 PWs) bands (ev): 3.5995 3.5995 3.5998 3.5998 5.8680 5.8680 5.8835 5.8835 6.2939 6.2939 6.3119 6.3119 8.8551 8.8551 8.8614 8.8614 10.0774 10.0774 10.0828 10.0828 10.7557 10.7557 10.7567 10.7567 12.7535 12.7535 12.7624 12.7624 12.9736 12.9736 12.9765 12.9765 13.8673 13.8673 13.8675 13.8675 14.5410 14.5410 14.5437 14.5437 15.3856 15.3856 15.3922 15.3922 15.8866 15.8866 15.8866 15.8866 16.7594 16.7594 16.7688 16.7688 17.9730 17.9730 17.9882 17.9882 k =-0.0714 0.0599 0.5920 ( 3672 PWs) bands (ev): 3.6088 3.6088 3.6091 3.6091 5.8489 5.8489 5.8664 5.8664 6.2933 6.2933 6.3136 6.3136 8.8615 8.8615 8.8688 8.8688 10.0847 10.0847 10.0909 10.0909 10.7369 10.7369 10.7380 10.7380 12.7630 12.7630 12.7735 12.7735 12.9847 12.9847 12.9882 12.9882 13.8658 13.8658 13.8661 13.8661 14.5372 14.5372 14.5406 14.5406 15.3875 15.3875 15.3956 15.3956 15.8605 15.8605 15.8608 15.8608 16.7600 16.7600 16.7709 16.7709 17.9623 17.9623 17.9789 17.9789 k =-0.0833 0.0698 0.5920 ( 3664 PWs) bands (ev): 3.6197 3.6197 3.6202 3.6202 5.8279 5.8279 5.8470 5.8470 6.2919 6.2919 6.3142 6.3142 8.8697 8.8697 8.8779 8.8779 10.0894 10.0894 10.0962 10.0962 10.7201 10.7201 10.7211 10.7211 12.7715 12.7715 12.7836 12.7836 12.9989 12.9989 13.0027 13.0027 13.8641 13.8641 13.8644 13.8644 14.5329 14.5329 14.5369 14.5369 15.3897 15.3897 15.3996 15.3996 15.8309 15.8309 15.8317 15.8317 16.7608 16.7608 16.7732 16.7732 17.9504 17.9505 17.9681 17.9681 k =-0.0952 0.0798 0.5920 ( 3668 PWs) bands (ev): 3.6324 3.6324 3.6329 3.6329 5.8053 5.8053 5.8257 5.8257 6.2894 6.2894 6.3132 6.3132 8.8799 8.8799 8.8888 8.8888 10.0895 10.0895 10.0966 10.0966 10.7076 10.7076 10.7084 10.7084 12.7782 12.7782 12.7917 12.7917 13.0162 13.0162 13.0201 13.0201 13.8620 13.8620 13.8623 13.8623 14.5279 14.5279 14.5326 14.5326 15.3922 15.3922 15.4040 15.4040 15.7986 15.7986 15.8000 15.8000 16.7619 16.7619 16.7756 16.7756 17.9377 17.9377 17.9559 17.9559 k =-0.1071 0.0898 0.5920 ( 3672 PWs) bands (ev): 3.6466 3.6466 3.6472 3.6472 5.7815 5.7815 5.8028 5.8028 6.2855 6.2855 6.3105 6.3105 8.8922 8.8922 8.9017 8.9017 10.0829 10.0829 10.0901 10.0901 10.7020 10.7020 10.7023 10.7023 12.7828 12.7828 12.7973 12.7973 13.0363 13.0363 13.0401 13.0401 13.8594 13.8594 13.8597 13.8597 14.5225 14.5225 14.5278 14.5278 15.3947 15.3947 15.4087 15.4087 15.7641 15.7641 15.7666 15.7666 16.7633 16.7633 16.7782 16.7782 17.9242 17.9242 17.9428 17.9428 k =-0.1190 0.0998 0.5920 ( 3678 PWs) bands (ev): 3.6624 3.6624 3.6631 3.6631 5.7567 5.7567 5.7788 5.7788 6.2799 6.2799 6.3058 6.3058 8.9067 8.9067 8.9167 8.9167 10.0683 10.0683 10.0752 10.0752 10.7047 10.7047 10.7051 10.7051 12.7850 12.7850 12.8004 12.8004 13.0588 13.0588 13.0623 13.0623 13.8563 13.8563 13.8567 13.8567 14.5166 14.5166 14.5227 14.5227 15.3970 15.3970 15.4137 15.4137 15.7283 15.7283 15.7322 15.7322 16.7650 16.7650 16.7810 16.7810 17.9099 17.9099 17.9288 17.9288 k =-0.1310 0.1097 0.5920 ( 3674 PWs) bands (ev): 3.6798 3.6798 3.6806 3.6806 5.7311 5.7311 5.7539 5.7539 6.2725 6.2725 6.2991 6.2991 8.9235 8.9235 8.9339 8.9339 10.0449 10.0449 10.0515 10.0515 10.7165 10.7165 10.7177 10.7177 12.7847 12.7847 12.8008 12.8008 13.0830 13.0830 13.0860 13.0860 13.8526 13.8526 13.8531 13.8531 14.5102 14.5102 14.5171 14.5171 15.3989 15.3989 15.4186 15.4186 15.6920 15.6920 15.6978 15.6978 16.7669 16.7669 16.7839 16.7839 17.8951 17.8951 17.9141 17.9141 k =-0.1429 0.1197 0.5920 ( 3668 PWs) bands (ev): 3.6988 3.6988 3.6996 3.6996 5.7050 5.7050 5.7283 5.7283 6.2633 6.2633 6.2904 6.2904 8.9426 8.9426 8.9533 8.9533 10.0132 10.0132 10.0193 10.0193 10.7377 10.7377 10.7397 10.7397 12.7820 12.7820 12.7987 12.7987 13.1081 13.1081 13.1105 13.1105 13.8484 13.8484 13.8489 13.8489 14.5035 14.5035 14.5112 14.5112 15.3997 15.3997 15.4230 15.4230 15.6561 15.6561 15.6645 15.6645 16.7690 16.7690 16.7868 16.7868 17.8796 17.8796 17.8987 17.8987 k =-0.1548 0.1297 0.5920 ( 3668 PWs) bands (ev): 3.7193 3.7193 3.7202 3.7202 5.6786 5.6786 5.7022 5.7022 6.2520 6.2520 6.2794 6.2794 8.9640 8.9640 8.9748 8.9748 9.9743 9.9743 9.9799 9.9799 10.7673 10.7673 10.7703 10.7703 12.7769 12.7769 12.7941 12.7941 13.1335 13.1335 13.1353 13.1353 13.8434 13.8434 13.8440 13.8440 14.4965 14.4965 14.5050 14.5050 15.3987 15.3987 15.4262 15.4262 15.6220 15.6220 15.6337 15.6337 16.7712 16.7712 16.7897 16.7897 17.8635 17.8635 17.8825 17.8825 k =-0.1667 0.1397 0.5920 ( 3664 PWs) bands (ev): 3.7412 3.7412 3.7422 3.7422 5.6520 5.6520 5.6759 5.6759 6.2386 6.2386 6.2662 6.2662 8.9874 8.9874 8.9983 8.9983 9.9299 9.9299 9.9349 9.9349 10.8043 10.8043 10.8080 10.8080 12.7695 12.7695 12.7872 12.7872 13.1587 13.1587 13.1598 13.1598 13.8377 13.8377 13.8383 13.8383 14.4892 14.4892 14.4985 14.4985 15.3949 15.3949 15.4269 15.4269 15.5915 15.5915 15.6068 15.6068 16.7736 16.7736 16.7927 16.7927 17.8468 17.8468 17.8656 17.8656 k =-0.1786 0.1496 0.5920 ( 3662 PWs) bands (ev): 3.7646 3.7646 3.7657 3.7657 5.6253 5.6253 5.6495 5.6495 6.2233 6.2233 6.2510 6.2510 9.0127 9.0127 9.0237 9.0237 9.8815 9.8815 9.8861 9.8861 10.8473 10.8473 10.8517 10.8517 12.7597 12.7597 12.7778 12.7778 13.1830 13.1830 13.1836 13.1836 13.8312 13.8312 13.8319 13.8319 14.4817 14.4817 14.4918 14.4918 15.3874 15.3874 15.4234 15.4234 15.5670 15.5670 15.5854 15.5854 16.7761 16.7761 16.7957 16.7957 17.8293 17.8293 17.8481 17.8481 k =-0.1905 0.1596 0.5920 ( 3666 PWs) bands (ev): 3.7893 3.7893 3.7906 3.7906 5.5988 5.5988 5.6232 5.6232 6.2059 6.2059 6.2336 6.2336 9.0395 9.0395 9.0504 9.0504 9.8306 9.8306 9.8349 9.8349 10.8951 10.8951 10.9002 10.9002 12.7476 12.7476 12.7660 12.7660 13.2062 13.2062 13.2062 13.2062 13.8238 13.8238 13.8246 13.8246 14.4739 14.4739 14.4849 14.4849 15.3756 15.3756 15.4136 15.4136 15.5507 15.5507 15.5705 15.5705 16.7787 16.7787 16.7987 16.7987 17.8111 17.8111 17.8297 17.8297 k =-0.2024 0.1696 0.5920 ( 3670 PWs) bands (ev): 3.8154 3.8154 3.8168 3.8168 5.5725 5.5725 5.5971 5.5971 6.1866 6.1866 6.2142 6.2142 9.0672 9.0672 9.0780 9.0780 9.7790 9.7790 9.7829 9.7829 10.9469 10.9469 10.9525 10.9525 12.7330 12.7330 12.7518 12.7518 13.2274 13.2274 13.2279 13.2279 13.8154 13.8154 13.8163 13.8163 14.4661 14.4661 14.4778 14.4778 15.3597 15.3597 15.3973 15.3973 15.5434 15.5434 15.5621 15.5621 16.7815 16.7815 16.8017 16.8017 17.7920 17.7920 17.8105 17.8105 k =-0.2143 0.1796 0.5920 ( 3668 PWs) bands (ev): 3.8428 3.8428 3.8443 3.8443 5.5465 5.5465 5.5712 5.5712 6.1654 6.1654 6.1929 6.1929 9.0951 9.0951 9.1057 9.1057 9.7281 9.7281 9.7317 9.7317 11.0017 11.0017 11.0078 11.0078 12.7161 12.7161 12.7351 12.7351 13.2470 13.2470 13.2480 13.2480 13.8061 13.8061 13.8072 13.8072 14.4583 14.4583 14.4706 14.4706 15.3412 15.3412 15.3768 15.3768 15.5432 15.5432 15.5594 15.5594 16.7844 16.7844 16.8048 16.8048 17.7720 17.7720 17.7904 17.7904 k =-0.2262 0.1895 0.5920 ( 3666 PWs) bands (ev): 3.8714 3.8714 3.8730 3.8730 5.5210 5.5210 5.5458 5.5458 6.1425 6.1425 6.1698 6.1698 9.1218 9.1218 9.1322 9.1322 9.6798 9.6798 9.6832 9.6832 11.0589 11.0589 11.0654 11.0654 12.6966 12.6966 12.7159 12.7159 13.2649 13.2649 13.2663 13.2663 13.7959 13.7959 13.7972 13.7972 14.4504 14.4504 14.4633 14.4633 15.3217 15.3217 15.3547 15.3547 15.5476 15.5476 15.5609 15.5609 16.7874 16.7874 16.8079 16.8079 17.7511 17.7511 17.7693 17.7693 k =-0.2381 0.1995 0.5920 ( 3658 PWs) bands (ev): 3.9011 3.9011 3.9029 3.9029 5.4959 5.4959 5.5210 5.5210 6.1179 6.1179 6.1450 6.1450 9.1455 9.1455 9.1555 9.1555 9.6366 9.6366 9.6396 9.6396 11.1178 11.1178 11.1247 11.1247 12.6748 12.6748 12.6941 12.6941 13.2810 13.2810 13.2826 13.2826 13.7847 13.7847 13.7863 13.7863 14.4425 14.4425 14.4559 14.4559 15.3025 15.3025 15.3331 15.3331 15.5549 15.5549 15.5655 15.5655 16.7906 16.7906 16.8111 16.8111 17.7291 17.7291 17.7472 17.7472 k =-0.2500 0.2095 0.5920 ( 3662 PWs) bands (ev): 3.9319 3.9319 3.9338 3.9338 5.4715 5.4715 5.4967 5.4967 6.0918 6.0918 6.1187 6.1187 9.1635 9.1635 9.1729 9.1729 9.6016 9.6016 9.6041 9.6041 11.1780 11.1780 11.1852 11.1852 12.6504 12.6504 12.6698 12.6698 13.2951 13.2951 13.2969 13.2969 13.7726 13.7726 13.7744 13.7744 14.4345 14.4345 14.4483 14.4483 15.2847 15.2847 15.3132 15.3132 15.5639 15.5639 15.5722 15.5722 16.7940 16.7940 16.8145 16.8145 17.7060 17.7060 17.7240 17.7240 k =-0.2619 0.2195 0.5920 ( 3666 PWs) bands (ev): 3.9637 3.9637 3.9658 3.9658 5.4478 5.4478 5.4731 5.4731 6.0643 6.0643 6.0910 6.0910 9.1725 9.1725 9.1810 9.1810 9.5785 9.5785 9.5801 9.5801 11.2389 11.2389 11.2465 11.2465 12.6237 12.6237 12.6430 12.6430 13.3072 13.3072 13.3092 13.3092 13.7597 13.7597 13.7618 13.7618 14.4266 14.4266 14.4405 14.4405 15.2691 15.2691 15.2957 15.2957 15.5740 15.5740 15.5804 15.5804 16.7977 16.7977 16.8180 16.8180 17.6817 17.6817 17.6996 17.6996 k =-0.2738 0.2294 0.5920 ( 3658 PWs) bands (ev): 3.9963 3.9963 3.9986 3.9986 5.4248 5.4248 5.4502 5.4502 6.0355 6.0355 6.0619 6.0619 9.1695 9.1695 9.1768 9.1768 9.5704 9.5704 9.5709 9.5709 11.3001 11.3001 11.3080 11.3080 12.5948 12.5948 12.6138 12.6138 13.3174 13.3174 13.3195 13.3195 13.7462 13.7462 13.7486 13.7486 14.4187 14.4187 14.4326 14.4326 15.2560 15.2560 15.2812 15.2812 15.5847 15.5847 15.5896 15.5896 16.8017 16.8017 16.8219 16.8219 17.6563 17.6563 17.6741 17.6741 k =-0.2857 0.2394 0.5920 ( 3654 PWs) bands (ev): 4.0298 4.0298 4.0323 4.0323 5.4025 5.4025 5.4282 5.4282 6.0056 6.0056 6.0318 6.0318 9.1539 9.1539 9.1598 9.1598 9.5771 9.5771 9.5778 9.5778 11.3611 11.3611 11.3693 11.3693 12.5639 12.5639 12.5825 12.5825 13.3257 13.3257 13.3278 13.3278 13.7320 13.7320 13.7347 13.7347 14.4109 14.4109 14.4246 14.4246 15.2459 15.2459 15.2697 15.2697 15.5957 15.5957 15.5994 15.5994 16.8061 16.8061 16.8260 16.8260 17.6296 17.6296 17.6473 17.6473 k =-0.2976 0.2494 0.5920 ( 3658 PWs) bands (ev): 4.0639 4.0639 4.0666 4.0666 5.3812 5.3812 5.4070 5.4070 5.9748 5.9748 6.0008 6.0008 9.1278 9.1278 9.1325 9.1325 9.5966 9.5966 9.5985 9.5985 11.4214 11.4214 11.4300 11.4300 12.5313 12.5313 12.5494 12.5494 13.3319 13.3319 13.3339 13.3339 13.7174 13.7174 13.7204 13.7204 14.4031 14.4031 14.4165 14.4165 15.2386 15.2386 15.2613 15.2613 15.6069 15.6069 15.6096 15.6096 16.8109 16.8109 16.8306 16.8306 17.6018 17.6018 17.6194 17.6194 k =-0.3095 0.2594 0.5920 ( 3662 PWs) bands (ev): 4.0985 4.0985 4.1014 4.1014 5.3608 5.3608 5.3867 5.3867 5.9432 5.9432 5.9689 5.9689 9.0947 9.0947 9.0984 9.0984 9.6261 9.6261 9.6288 9.6288 11.4806 11.4806 11.4895 11.4895 12.4974 12.4974 12.5148 12.5148 13.3361 13.3361 13.3380 13.3380 13.7027 13.7027 13.7059 13.7059 14.3953 14.3953 14.4083 14.4083 15.2343 15.2343 15.2559 15.2559 15.6179 15.6179 15.6199 15.6199 16.8162 16.8162 16.8357 16.8357 17.5729 17.5729 17.5904 17.5904 k =-0.3214 0.2693 0.5920 ( 3668 PWs) bands (ev): 4.1335 4.1335 4.1366 4.1366 5.3413 5.3413 5.3674 5.3674 5.9110 5.9110 5.9365 5.9365 9.0575 9.0575 9.0605 9.0605 9.6625 9.6625 9.6658 9.6658 11.5380 11.5380 11.5473 11.5473 12.4628 12.4628 12.4794 12.4794 13.3382 13.3382 13.3399 13.3399 13.6881 13.6881 13.6915 13.6915 14.3877 14.3877 14.4001 14.4001 15.2326 15.2326 15.2534 15.2534 15.6288 15.6288 15.6302 15.6302 16.8222 16.8222 16.8413 16.8413 17.5428 17.5428 17.5603 17.5603 k =-0.3333 0.2793 0.5920 ( 3672 PWs) bands (ev): 4.1687 4.1687 4.1721 4.1721 5.3229 5.3229 5.3491 5.3491 5.8785 5.8785 5.9036 5.9036 9.0187 9.0187 9.0211 9.0211 9.7034 9.7034 9.7070 9.7070 11.5930 11.5930 11.6027 11.6027 12.4282 12.4282 12.4437 12.4437 13.3382 13.3382 13.3397 13.3397 13.6739 13.6739 13.6773 13.6773 14.3802 14.3802 14.3919 14.3919 15.2336 15.2336 15.2534 15.2534 15.6393 15.6393 15.6403 15.6403 16.8288 16.8288 16.8476 16.8476 17.5119 17.5119 17.5292 17.5292 k =-0.3452 0.2893 0.5920 ( 3682 PWs) bands (ev): 4.2040 4.2040 4.2075 4.2075 5.3055 5.3055 5.3317 5.3317 5.8457 5.8457 5.8706 5.8706 8.9797 8.9797 8.9817 8.9817 9.7471 9.7471 9.7509 9.7509 11.6446 11.6446 11.6548 11.6548 12.3945 12.3945 12.4088 12.4088 13.3361 13.3361 13.3372 13.3372 13.6603 13.6603 13.6638 13.6638 14.3728 14.3728 14.3837 14.3837 15.2368 15.2368 15.2558 15.2558 15.6493 15.6493 15.6501 15.6501 16.8362 16.8362 16.8547 16.8547 17.4800 17.4800 17.4973 17.4973 k =-0.3571 0.2993 0.5920 ( 3678 PWs) bands (ev): 4.2390 4.2390 4.2427 4.2427 5.2892 5.2892 5.3155 5.3155 5.8131 5.8131 5.8376 5.8376 8.9415 8.9415 8.9433 8.9433 9.7923 9.7923 9.7963 9.7963 11.6920 11.6920 11.7027 11.7027 12.3629 12.3629 12.3757 12.3757 13.3318 13.3318 13.3326 13.3326 13.6477 13.6477 13.6511 13.6511 14.3657 14.3657 14.3759 14.3759 15.2420 15.2420 15.2601 15.2601 15.6588 15.6588 15.6594 15.6594 16.8445 16.8445 16.8626 16.8626 17.4475 17.4475 17.4646 17.4646 k =-0.3690 0.3093 0.5920 ( 3686 PWs) bands (ev): 4.2735 4.2735 4.2775 4.2775 5.2740 5.2740 5.3002 5.3002 5.7809 5.7809 5.8048 5.8048 8.9050 8.9050 8.9065 8.9065 9.8382 9.8382 9.8422 9.8422 11.7338 11.7338 11.7450 11.7450 12.3348 12.3348 12.3459 12.3459 13.3253 13.3253 13.3257 13.3257 13.6362 13.6362 13.6394 13.6394 14.3589 14.3589 14.3682 14.3682 15.2488 15.2488 15.2660 15.2660 15.6677 15.6677 15.6683 15.6683 16.8538 16.8538 16.8715 16.8715 17.4145 17.4145 17.4315 17.4315 k =-0.3810 0.3192 0.5920 ( 3682 PWs) bands (ev): 4.3074 4.3074 4.3115 4.3115 5.2601 5.2601 5.2860 5.2860 5.7494 5.7494 5.7727 5.7727 8.8706 8.8706 8.8719 8.8719 9.8838 9.8838 9.8878 9.8878 11.7686 11.7686 11.7803 11.7803 12.3117 12.3117 12.3212 12.3212 13.3167 13.3167 13.3168 13.3168 13.6260 13.6260 13.6290 13.6290 14.3524 14.3524 14.3609 14.3609 15.2569 15.2569 15.2730 15.2730 15.6760 15.6760 15.6765 15.6765 16.8640 16.8640 16.8814 16.8814 17.3812 17.3812 17.3981 17.3981 k =-0.3929 0.3292 0.5920 ( 3690 PWs) bands (ev): 4.3402 4.3402 4.3444 4.3444 5.2474 5.2474 5.2728 5.2728 5.7190 5.7190 5.7415 5.7415 8.8387 8.8387 8.8398 8.8398 9.9285 9.9285 9.9323 9.9323 11.7950 11.7950 11.8070 11.8070 12.2954 12.2954 12.3030 12.3030 13.3060 13.3060 13.3064 13.3064 13.6171 13.6171 13.6198 13.6198 14.3464 14.3464 14.3539 14.3539 15.2659 15.2659 15.2809 15.2809 15.6835 15.6835 15.6840 15.6840 16.8754 16.8754 16.8923 16.8923 17.3478 17.3478 17.3645 17.3645 k =-0.4048 0.3392 0.5920 ( 3698 PWs) bands (ev): 4.3715 4.3715 4.3758 4.3758 5.2360 5.2360 5.2606 5.2606 5.6900 5.6900 5.7116 5.7116 8.8095 8.8095 8.8105 8.8105 9.9714 9.9714 9.9751 9.9751 11.8120 11.8120 11.8241 11.8241 12.2868 12.2868 12.2928 12.2928 13.2938 13.2938 13.2945 13.2945 13.6096 13.6096 13.6120 13.6120 14.3408 14.3408 14.3475 14.3475 15.2753 15.2753 15.2891 15.2891 15.6902 15.6902 15.6907 15.6907 16.8879 16.8879 16.9044 16.9044 17.3146 17.3146 17.3311 17.3311 k =-0.4167 0.3492 0.5920 ( 3698 PWs) bands (ev): 4.4010 4.4010 4.4053 4.4053 5.2260 5.2260 5.2495 5.2495 5.6630 5.6630 5.6833 5.6833 8.7834 8.7834 8.7843 8.7843 10.0120 10.0120 10.0155 10.0155 11.8197 11.8197 11.8316 11.8316 12.2863 12.2863 12.2909 12.2909 13.2807 13.2807 13.2816 13.2816 13.6035 13.6035 13.6056 13.6056 14.3358 14.3358 14.3416 14.3416 15.2849 15.2849 15.2974 15.2974 15.6961 15.6961 15.6967 15.6967 16.9016 16.9016 16.9177 16.9177 17.2819 17.2819 17.2981 17.2981 k =-0.4286 0.3591 0.5920 ( 3698 PWs) bands (ev): 4.4282 4.4282 4.4323 4.4323 5.2175 5.2175 5.2393 5.2393 5.6384 5.6384 5.6570 5.6570 8.7605 8.7605 8.7612 8.7612 10.0494 10.0494 10.0526 10.0526 11.8196 11.8196 11.8307 11.8307 12.2925 12.2925 12.2961 12.2961 13.2672 13.2672 13.2683 13.2683 13.5987 13.5987 13.6004 13.6004 14.3314 14.3314 14.3363 14.3363 15.2942 15.2942 15.3052 15.3052 15.7013 15.7013 15.7019 15.7019 16.9164 16.9164 16.9321 16.9321 17.2501 17.2501 17.2658 17.2658 k =-0.4405 0.3691 0.5920 ( 3694 PWs) bands (ev): 4.4526 4.4526 4.4565 4.4565 5.2105 5.2105 5.2302 5.2302 5.6167 5.6167 5.6333 5.6333 8.7409 8.7409 8.7415 8.7415 10.0829 10.0829 10.0857 10.0857 11.8141 11.8141 11.8238 11.8238 12.3033 12.3033 12.3061 12.3061 13.2540 13.2540 13.2552 13.2552 13.5948 13.5948 13.5963 13.5963 14.3276 14.3276 14.3317 14.3317 15.3030 15.3030 15.3124 15.3124 15.7056 15.7056 15.7062 15.7062 16.9323 16.9323 16.9474 16.9474 17.2194 17.2194 17.2347 17.2347 k =-0.4524 0.3791 0.5920 ( 3702 PWs) bands (ev): 4.4737 4.4737 4.4771 4.4771 5.2052 5.2052 5.2220 5.2220 5.5986 5.5986 5.6126 5.6126 8.7247 8.7247 8.7252 8.7252 10.1116 10.1116 10.1140 10.1140 11.8056 11.8056 11.8138 11.8138 12.3161 12.3161 12.3183 12.3183 13.2419 13.2419 13.2430 13.2430 13.5919 13.5919 13.5930 13.5930 14.3246 14.3246 14.3278 14.3278 15.3108 15.3108 15.3185 15.3185 15.7092 15.7092 15.7097 15.7097 16.9490 16.9490 16.9633 16.9633 17.1906 17.1906 17.2050 17.2050 k =-0.4643 0.3891 0.5920 ( 3698 PWs) bands (ev): 4.4910 4.4910 4.4937 4.4937 5.2016 5.2016 5.2150 5.2150 5.5843 5.5843 5.5954 5.5954 8.7121 8.7121 8.7124 8.7124 10.1350 10.1350 10.1368 10.1368 11.7968 11.7968 11.8031 11.8031 12.3287 12.3287 12.3304 12.3304 13.2315 13.2315 13.2325 13.2325 13.5899 13.5899 13.5907 13.5907 14.3222 14.3222 14.3246 14.3246 15.3175 15.3175 15.3234 15.3234 15.7120 15.7120 15.7124 15.7124 16.9662 16.9662 16.9792 16.9792 17.1644 17.1644 17.1776 17.1776 k =-0.4762 0.3990 0.5920 ( 3696 PWs) bands (ev): 4.5039 4.5039 4.5058 4.5058 5.1997 5.1997 5.2090 5.2090 5.5745 5.5745 5.5821 5.5821 8.7030 8.7030 8.7033 8.7033 10.1523 10.1523 10.1536 10.1536 11.7894 11.7894 11.7937 11.7937 12.3392 12.3392 12.3403 12.3403 13.2236 13.2236 13.2243 13.2243 13.5885 13.5885 13.5890 13.5890 14.3207 14.3207 14.3223 14.3223 15.3227 15.3227 15.3267 15.3267 15.7140 15.7140 15.7143 15.7143 16.9827 16.9827 16.9935 16.9935 17.1427 17.1427 17.1536 17.1536 k =-0.4881 0.4090 0.5920 ( 3696 PWs) bands (ev): 4.5120 4.5120 4.5130 4.5130 5.1996 5.1996 5.2044 5.2044 5.5693 5.5693 5.5732 5.5732 8.6976 8.6976 8.6977 8.6977 10.1630 10.1630 10.1637 10.1637 11.7849 11.7849 11.7871 11.7871 12.3461 12.3461 12.3466 12.3466 13.2187 13.2187 13.2191 13.2191 13.5878 13.5878 13.5880 13.5880 14.3199 14.3199 14.3207 14.3207 15.3263 15.3263 15.3283 15.3283 15.7152 15.7152 15.7154 15.7154 16.9968 16.9968 17.0033 17.0033 17.1284 17.1284 17.1350 17.1350 k =-0.5000 0.4190 0.5920 ( 3700 PWs) bands (ev): 4.5151 4.5151 4.5151 4.5151 5.2012 5.2012 5.2012 5.2012 5.5688 5.5688 5.5688 5.5688 8.6958 8.6958 8.6958 8.6958 10.1669 10.1669 10.1669 10.1669 11.7840 11.7840 11.7840 11.7840 12.3487 12.3487 12.3487 12.3487 13.2172 13.2172 13.2172 13.2172 13.5876 13.5876 13.5876 13.5876 14.3198 14.3198 14.3198 14.3198 15.3282 15.3282 15.3282 15.3282 15.7157 15.7157 15.7157 15.7157 17.0047 17.0047 17.0047 17.0047 17.1255 17.1255 17.1255 17.1255 Writing output data file Al5Fe.save init_run : 0.28s CPU 0.40s WALL ( 1 calls) electrons : 506.19s CPU 522.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 506.18s CPU 522.33s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 402 calls) cegterg : 399.54s CPU 404.06s WALL ( 1032 calls) Called by sum_band: Called by *egterg: h_psi : 206.21s CPU 209.19s WALL ( 18819 calls) s_psi : 39.38s CPU 39.82s WALL ( 18819 calls) g_psi : 0.51s CPU 0.53s WALL ( 17385 calls) cdiaghg : 141.32s CPU 142.62s WALL ( 17787 calls) cegterg:over : 14.50s CPU 14.55s WALL ( 17385 calls) cegterg:upda : 11.82s CPU 12.21s WALL ( 17385 calls) cegterg:last : 6.70s CPU 6.71s WALL ( 2824 calls) cdiaghg:chol : 8.03s CPU 8.17s WALL ( 17787 calls) cdiaghg:inve : 5.61s CPU 5.53s WALL ( 17787 calls) cdiaghg:para : 8.76s CPU 8.77s WALL ( 35574 calls) Called by h_psi: h_psi:vloc : 125.21s CPU 127.46s WALL ( 18819 calls) h_psi:vnl : 80.53s CPU 81.21s WALL ( 18819 calls) add_vuspsi : 46.42s CPU 46.61s WALL ( 18819 calls) General routines calbec : 34.01s CPU 34.55s WALL ( 18819 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 116.93s CPU 119.07s WALL ( 1920132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 11.14s WALL ( 804 calls) Parallel routines fft_scatter : 47.18s CPU 48.38s WALL ( 1920155 calls) PWSCF : 8m45.79s CPU 9m26.91s WALL This run was terminated on: 18:46: 9 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=