Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:23:26 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: ./NaAlF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 30 25 7 1396 1052 167 Max 31 26 8 1409 1068 174 Sum 1109 933 277 50529 38129 6141 bravais-lattice index = 14 lattice parameter (alat) = 6.5762 a.u. unit-cell volume = 514.0503 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.576246 celldm(2)= 1.000000 celldm(3)= 1.807471 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.807471 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.553259 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 F 7.00 18.99840 F( 1.00) Na 9.00 22.98980 Na( 1.00) Al 3.00 26.98150 Al( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 396 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0025253 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0025253 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0025253 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0025253 k( 7) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0025253 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0025253 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0025253 k( 10) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0025253 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0025253 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0025253 k( 13) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0025253 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0025253 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0025253 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0025253 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0025253 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0025253 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0025253 k( 20) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0025253 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0025253 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0025253 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0025253 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025253 k( 25) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0025253 k( 26) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0025253 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0025253 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0025253 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0025253 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0025253 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0025253 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0025253 k( 33) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0025253 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0025253 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0025253 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0025253 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0025253 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0025253 k( 39) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0025253 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0025253 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0025253 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0025253 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0025253 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0025253 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0025253 k( 46) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0025253 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0025253 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0025253 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0025253 k( 52) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0025253 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0025253 k( 54) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0025253 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0025253 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0025253 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0025253 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0025253 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0025253 k( 60) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0025253 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0025253 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0025253 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0025253 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0025253 k( 65) = ( 0.1847826 0.5000000 -0.0000000), wk = 0.0025253 k( 66) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0025253 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0025253 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0025253 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0025253 k( 70) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0025253 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025253 k( 72) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0025253 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0025253 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0025253 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0025253 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0025253 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0025253 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0025253 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0025253 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0025253 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0025253 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0025253 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0025253 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0025253 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0025253 k( 86) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0025253 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0025253 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0025253 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0025253 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0025253 k( 91) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0025253 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0025253 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0025253 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 96) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0025253 k( 97) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0025253 k( 98) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0025253 k( 99) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0025253 k( 100) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0025253 k( 101) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0025253 k( 102) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0025253 k( 103) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025253 k( 104) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0025253 k( 105) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0025253 k( 106) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0025253 k( 107) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0025253 k( 108) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0025253 k( 109) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0025253 k( 110) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0025253 k( 111) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025253 k( 112) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0025253 k( 113) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0025253 k( 114) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0025253 k( 115) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0025253 k( 116) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0025253 k( 117) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0025253 k( 118) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0025253 k( 119) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025253 k( 120) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0025253 k( 121) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0025253 k( 122) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0025253 k( 123) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0025253 k( 124) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0025253 k( 125) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0025253 k( 126) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0025253 k( 127) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025253 k( 128) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0025253 k( 129) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0025253 k( 130) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0025253 k( 131) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0025253 k( 132) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0025253 k( 133) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0025253 k( 134) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0025253 k( 135) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025253 k( 136) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0025253 k( 137) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0025253 k( 138) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0025253 k( 139) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0025253 k( 140) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0025253 k( 141) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0025253 k( 142) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0025253 k( 143) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025253 k( 144) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0025253 k( 145) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0025253 k( 146) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0025253 k( 147) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0025253 k( 148) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0025253 k( 149) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0025253 k( 150) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0025253 k( 151) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0025253 k( 152) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0025253 k( 153) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0025253 k( 154) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0025253 k( 155) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0025253 k( 156) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0025253 k( 157) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0025253 k( 158) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0025253 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 161) = ( 0.0000000 0.0000000 0.0110652), wk = 0.0025253 k( 162) = ( 0.0000000 0.0000000 0.0221304), wk = 0.0025253 k( 163) = ( 0.0000000 0.0000000 0.0331955), wk = 0.0025253 k( 164) = ( 0.0000000 0.0000000 0.0442607), wk = 0.0025253 k( 165) = ( 0.0000000 0.0000000 0.0553259), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.0663911), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.0774563), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.0885215), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.0995866), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.1106518), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.1217170), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.1327822), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.1438474), wk = 0.0025253 k( 174) = ( 0.0000000 0.0000000 0.1549126), wk = 0.0025253 k( 175) = ( 0.0000000 0.0000000 0.1659777), wk = 0.0025253 k( 176) = ( 0.0000000 0.0000000 0.1770429), wk = 0.0025253 k( 177) = ( 0.0000000 0.0000000 0.1881081), wk = 0.0025253 k( 178) = ( 0.0000000 0.0000000 0.1991733), wk = 0.0025253 k( 179) = ( 0.0000000 0.0000000 0.2102385), wk = 0.0025253 k( 180) = ( 0.0000000 0.0000000 0.2213037), wk = 0.0025253 k( 181) = ( 0.0000000 0.0000000 0.2323688), wk = 0.0025253 k( 182) = ( 0.0000000 0.0000000 0.2434340), wk = 0.0025253 k( 183) = ( 0.0000000 0.0000000 0.2544992), wk = 0.0025253 k( 184) = ( 0.0000000 0.0000000 0.2655644), wk = 0.0025253 k( 185) = ( 0.0000000 0.0000000 0.2766296), wk = 0.0025253 k( 186) = ( 0.0000000 0.0000000 0.2766296), wk = 0.0025253 k( 187) = ( 0.0000000 0.0108696 0.2766296), wk = 0.0025253 k( 188) = ( 0.0000000 0.0217391 0.2766296), wk = 0.0025253 k( 189) = ( 0.0000000 0.0326087 0.2766296), wk = 0.0025253 k( 190) = ( 0.0000000 0.0434783 0.2766296), wk = 0.0025253 k( 191) = ( 0.0000000 0.0543478 0.2766296), wk = 0.0025253 k( 192) = ( 0.0000000 0.0652174 0.2766296), wk = 0.0025253 k( 193) = ( 0.0000000 0.0760870 0.2766296), wk = 0.0025253 k( 194) = ( 0.0000000 0.0869565 0.2766296), wk = 0.0025253 k( 195) = ( 0.0000000 0.0978261 0.2766296), wk = 0.0025253 k( 196) = ( 0.0000000 0.1086957 0.2766296), wk = 0.0025253 k( 197) = ( 0.0000000 0.1195652 0.2766296), wk = 0.0025253 k( 198) = ( 0.0000000 0.1304348 0.2766296), wk = 0.0025253 k( 199) = ( 0.0000000 0.1413043 0.2766296), wk = 0.0025253 k( 200) = ( 0.0000000 0.1521739 0.2766296), wk = 0.0025253 k( 201) = ( 0.0000000 0.1630435 0.2766296), wk = 0.0025253 k( 202) = ( 0.0000000 0.1739130 0.2766296), wk = 0.0025253 k( 203) = ( 0.0000000 0.1847826 0.2766296), wk = 0.0025253 k( 204) = ( 0.0000000 0.1956522 0.2766296), wk = 0.0025253 k( 205) = ( 0.0000000 0.2065217 0.2766296), wk = 0.0025253 k( 206) = ( 0.0000000 0.2173913 0.2766296), wk = 0.0025253 k( 207) = ( 0.0000000 0.2282609 0.2766296), wk = 0.0025253 k( 208) = ( 0.0000000 0.2391304 0.2766296), wk = 0.0025253 k( 209) = ( 0.0000000 0.2500000 0.2766296), wk = 0.0025253 k( 210) = ( 0.0000000 0.2608696 0.2766296), wk = 0.0025253 k( 211) = ( 0.0000000 0.2717391 0.2766296), wk = 0.0025253 k( 212) = ( 0.0000000 0.2826087 0.2766296), wk = 0.0025253 k( 213) = ( 0.0000000 0.2934783 0.2766296), wk = 0.0025253 k( 214) = ( 0.0000000 0.3043478 0.2766296), wk = 0.0025253 k( 215) = ( 0.0000000 0.3152174 0.2766296), wk = 0.0025253 k( 216) = ( 0.0000000 0.3260870 0.2766296), wk = 0.0025253 k( 217) = ( 0.0000000 0.3369565 0.2766296), wk = 0.0025253 k( 218) = ( 0.0000000 0.3478261 0.2766296), wk = 0.0025253 k( 219) = ( 0.0000000 0.3586956 0.2766296), wk = 0.0025253 k( 220) = ( 0.0000000 0.3695652 0.2766296), wk = 0.0025253 k( 221) = ( 0.0000000 0.3804348 0.2766296), wk = 0.0025253 k( 222) = ( 0.0000000 0.3913044 0.2766296), wk = 0.0025253 k( 223) = ( 0.0000000 0.4021739 0.2766296), wk = 0.0025253 k( 224) = ( 0.0000000 0.4130435 0.2766296), wk = 0.0025253 k( 225) = ( 0.0000000 0.4239130 0.2766296), wk = 0.0025253 k( 226) = ( 0.0000000 0.4347826 0.2766296), wk = 0.0025253 k( 227) = ( 0.0000000 0.4456522 0.2766296), wk = 0.0025253 k( 228) = ( 0.0000000 0.4565217 0.2766296), wk = 0.0025253 k( 229) = ( 0.0000000 0.4673913 0.2766296), wk = 0.0025253 k( 230) = ( 0.0000000 0.4782609 0.2766296), wk = 0.0025253 k( 231) = ( 0.0000000 0.4891304 0.2766296), wk = 0.0025253 k( 232) = ( 0.0000000 0.5000000 0.2766296), wk = 0.0025253 k( 233) = ( 0.0000000 0.5000000 0.2766296), wk = 0.0025253 k( 234) = ( 0.0108696 0.5000000 0.2766296), wk = 0.0025253 k( 235) = ( 0.0217391 0.5000000 0.2766296), wk = 0.0025253 k( 236) = ( 0.0326087 0.5000000 0.2766296), wk = 0.0025253 k( 237) = ( 0.0434783 0.5000000 0.2766296), wk = 0.0025253 k( 238) = ( 0.0543478 0.5000000 0.2766296), wk = 0.0025253 k( 239) = ( 0.0652174 0.5000000 0.2766296), wk = 0.0025253 k( 240) = ( 0.0760870 0.5000000 0.2766296), wk = 0.0025253 k( 241) = ( 0.0869565 0.5000000 0.2766296), wk = 0.0025253 k( 242) = ( 0.0978261 0.5000000 0.2766296), wk = 0.0025253 k( 243) = ( 0.1086957 0.5000000 0.2766296), wk = 0.0025253 k( 244) = ( 0.1195652 0.5000000 0.2766296), wk = 0.0025253 k( 245) = ( 0.1304348 0.5000000 0.2766296), wk = 0.0025253 k( 246) = ( 0.1413043 0.5000000 0.2766296), wk = 0.0025253 k( 247) = ( 0.1521739 0.5000000 0.2766296), wk = 0.0025253 k( 248) = ( 0.1630435 0.5000000 0.2766296), wk = 0.0025253 k( 249) = ( 0.1739130 0.5000000 0.2766296), wk = 0.0025253 k( 250) = ( 0.1847826 0.5000000 0.2766296), wk = 0.0025253 k( 251) = ( 0.1956522 0.5000000 0.2766296), wk = 0.0025253 k( 252) = ( 0.2065217 0.5000000 0.2766296), wk = 0.0025253 k( 253) = ( 0.2173913 0.5000000 0.2766296), wk = 0.0025253 k( 254) = ( 0.2282609 0.5000000 0.2766296), wk = 0.0025253 k( 255) = ( 0.2391304 0.5000000 0.2766296), wk = 0.0025253 k( 256) = ( 0.2500000 0.5000000 0.2766296), wk = 0.0025253 k( 257) = ( 0.2608696 0.5000000 0.2766296), wk = 0.0025253 k( 258) = ( 0.2717391 0.5000000 0.2766296), wk = 0.0025253 k( 259) = ( 0.2826087 0.5000000 0.2766296), wk = 0.0025253 k( 260) = ( 0.2934783 0.5000000 0.2766296), wk = 0.0025253 k( 261) = ( 0.3043478 0.5000000 0.2766296), wk = 0.0025253 k( 262) = ( 0.3152174 0.5000000 0.2766296), wk = 0.0025253 k( 263) = ( 0.3260870 0.5000000 0.2766296), wk = 0.0025253 k( 264) = ( 0.3369565 0.5000000 0.2766296), wk = 0.0025253 k( 265) = ( 0.3478261 0.5000000 0.2766296), wk = 0.0025253 k( 266) = ( 0.3586956 0.5000000 0.2766296), wk = 0.0025253 k( 267) = ( 0.3695652 0.5000000 0.2766296), wk = 0.0025253 k( 268) = ( 0.3804348 0.5000000 0.2766296), wk = 0.0025253 k( 269) = ( 0.3913044 0.5000000 0.2766296), wk = 0.0025253 k( 270) = ( 0.4021739 0.5000000 0.2766296), wk = 0.0025253 k( 271) = ( 0.4130435 0.5000000 0.2766296), wk = 0.0025253 k( 272) = ( 0.4239130 0.5000000 0.2766296), wk = 0.0025253 k( 273) = ( 0.4347826 0.5000000 0.2766296), wk = 0.0025253 k( 274) = ( 0.4456522 0.5000000 0.2766296), wk = 0.0025253 k( 275) = ( 0.4565217 0.5000000 0.2766296), wk = 0.0025253 k( 276) = ( 0.4673913 0.5000000 0.2766296), wk = 0.0025253 k( 277) = ( 0.4782609 0.5000000 0.2766296), wk = 0.0025253 k( 278) = ( 0.4891304 0.5000000 0.2766296), wk = 0.0025253 k( 279) = ( 0.5000000 0.5000000 0.2766296), wk = 0.0025253 k( 280) = ( 0.5000000 0.5000000 0.2766296), wk = 0.0025253 k( 281) = ( 0.4921875 0.4921875 0.2766296), wk = 0.0025253 k( 282) = ( 0.4843750 0.4843750 0.2766296), wk = 0.0025253 k( 283) = ( 0.4765625 0.4765625 0.2766296), wk = 0.0025253 k( 284) = ( 0.4687500 0.4687500 0.2766296), wk = 0.0025253 k( 285) = ( 0.4609375 0.4609375 0.2766296), wk = 0.0025253 k( 286) = ( 0.4531250 0.4531250 0.2766296), wk = 0.0025253 k( 287) = ( 0.4453125 0.4453125 0.2766296), wk = 0.0025253 k( 288) = ( 0.4375000 0.4375000 0.2766296), wk = 0.0025253 k( 289) = ( 0.4296875 0.4296875 0.2766296), wk = 0.0025253 k( 290) = ( 0.4218750 0.4218750 0.2766296), wk = 0.0025253 k( 291) = ( 0.4140625 0.4140625 0.2766296), wk = 0.0025253 k( 292) = ( 0.4062500 0.4062500 0.2766296), wk = 0.0025253 k( 293) = ( 0.3984375 0.3984375 0.2766296), wk = 0.0025253 k( 294) = ( 0.3906250 0.3906250 0.2766296), wk = 0.0025253 k( 295) = ( 0.3828125 0.3828125 0.2766296), wk = 0.0025253 k( 296) = ( 0.3750000 0.3750000 0.2766296), wk = 0.0025253 k( 297) = ( 0.3671875 0.3671875 0.2766296), wk = 0.0025253 k( 298) = ( 0.3593750 0.3593750 0.2766296), wk = 0.0025253 k( 299) = ( 0.3515625 0.3515625 0.2766296), wk = 0.0025253 k( 300) = ( 0.3437500 0.3437500 0.2766296), wk = 0.0025253 k( 301) = ( 0.3359375 0.3359375 0.2766296), wk = 0.0025253 k( 302) = ( 0.3281250 0.3281250 0.2766296), wk = 0.0025253 k( 303) = ( 0.3203125 0.3203125 0.2766296), wk = 0.0025253 k( 304) = ( 0.3125000 0.3125000 0.2766296), wk = 0.0025253 k( 305) = ( 0.3046875 0.3046875 0.2766296), wk = 0.0025253 k( 306) = ( 0.2968750 0.2968750 0.2766296), wk = 0.0025253 k( 307) = ( 0.2890625 0.2890625 0.2766296), wk = 0.0025253 k( 308) = ( 0.2812500 0.2812500 0.2766296), wk = 0.0025253 k( 309) = ( 0.2734375 0.2734375 0.2766296), wk = 0.0025253 k( 310) = ( 0.2656250 0.2656250 0.2766296), wk = 0.0025253 k( 311) = ( 0.2578125 0.2578125 0.2766296), wk = 0.0025253 k( 312) = ( 0.2500000 0.2500000 0.2766296), wk = 0.0025253 k( 313) = ( 0.2421875 0.2421875 0.2766296), wk = 0.0025253 k( 314) = ( 0.2343750 0.2343750 0.2766296), wk = 0.0025253 k( 315) = ( 0.2265625 0.2265625 0.2766296), wk = 0.0025253 k( 316) = ( 0.2187500 0.2187500 0.2766296), wk = 0.0025253 k( 317) = ( 0.2109375 0.2109375 0.2766296), wk = 0.0025253 k( 318) = ( 0.2031250 0.2031250 0.2766296), wk = 0.0025253 k( 319) = ( 0.1953125 0.1953125 0.2766296), wk = 0.0025253 k( 320) = ( 0.1875000 0.1875000 0.2766296), wk = 0.0025253 k( 321) = ( 0.1796875 0.1796875 0.2766296), wk = 0.0025253 k( 322) = ( 0.1718750 0.1718750 0.2766296), wk = 0.0025253 k( 323) = ( 0.1640625 0.1640625 0.2766296), wk = 0.0025253 k( 324) = ( 0.1562500 0.1562500 0.2766296), wk = 0.0025253 k( 325) = ( 0.1484375 0.1484375 0.2766296), wk = 0.0025253 k( 326) = ( 0.1406250 0.1406250 0.2766296), wk = 0.0025253 k( 327) = ( 0.1328125 0.1328125 0.2766296), wk = 0.0025253 k( 328) = ( 0.1250000 0.1250000 0.2766296), wk = 0.0025253 k( 329) = ( 0.1171875 0.1171875 0.2766296), wk = 0.0025253 k( 330) = ( 0.1093750 0.1093750 0.2766296), wk = 0.0025253 k( 331) = ( 0.1015625 0.1015625 0.2766296), wk = 0.0025253 k( 332) = ( 0.0937500 0.0937500 0.2766296), wk = 0.0025253 k( 333) = ( 0.0859375 0.0859375 0.2766296), wk = 0.0025253 k( 334) = ( 0.0781250 0.0781250 0.2766296), wk = 0.0025253 k( 335) = ( 0.0703125 0.0703125 0.2766296), wk = 0.0025253 k( 336) = ( 0.0625000 0.0625000 0.2766296), wk = 0.0025253 k( 337) = ( 0.0546875 0.0546875 0.2766296), wk = 0.0025253 k( 338) = ( 0.0468750 0.0468750 0.2766296), wk = 0.0025253 k( 339) = ( 0.0390625 0.0390625 0.2766296), wk = 0.0025253 k( 340) = ( 0.0312500 0.0312500 0.2766296), wk = 0.0025253 k( 341) = ( 0.0234375 0.0234375 0.2766296), wk = 0.0025253 k( 342) = ( 0.0156250 0.0156250 0.2766296), wk = 0.0025253 k( 343) = ( 0.0078125 0.0078125 0.2766296), wk = 0.0025253 k( 344) = ( 0.0000000 0.0000000 0.2766296), wk = 0.0025253 k( 345) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 346) = ( 0.0000000 0.5000000 0.0110652), wk = 0.0025253 k( 347) = ( 0.0000000 0.5000000 0.0221304), wk = 0.0025253 k( 348) = ( 0.0000000 0.5000000 0.0331955), wk = 0.0025253 k( 349) = ( 0.0000000 0.5000000 0.0442607), wk = 0.0025253 k( 350) = ( 0.0000000 0.5000000 0.0553259), wk = 0.0025253 k( 351) = ( 0.0000000 0.5000000 0.0663911), wk = 0.0025253 k( 352) = ( 0.0000000 0.5000000 0.0774563), wk = 0.0025253 k( 353) = ( 0.0000000 0.5000000 0.0885215), wk = 0.0025253 k( 354) = ( 0.0000000 0.5000000 0.0995866), wk = 0.0025253 k( 355) = ( 0.0000000 0.5000000 0.1106518), wk = 0.0025253 k( 356) = ( 0.0000000 0.5000000 0.1217170), wk = 0.0025253 k( 357) = ( 0.0000000 0.5000000 0.1327822), wk = 0.0025253 k( 358) = ( 0.0000000 0.5000000 0.1438474), wk = 0.0025253 k( 359) = ( 0.0000000 0.5000000 0.1549126), wk = 0.0025253 k( 360) = ( 0.0000000 0.5000000 0.1659777), wk = 0.0025253 k( 361) = ( 0.0000000 0.5000000 0.1770429), wk = 0.0025253 k( 362) = ( 0.0000000 0.5000000 0.1881081), wk = 0.0025253 k( 363) = ( 0.0000000 0.5000000 0.1991733), wk = 0.0025253 k( 364) = ( 0.0000000 0.5000000 0.2102385), wk = 0.0025253 k( 365) = ( 0.0000000 0.5000000 0.2213037), wk = 0.0025253 k( 366) = ( 0.0000000 0.5000000 0.2323688), wk = 0.0025253 k( 367) = ( 0.0000000 0.5000000 0.2434340), wk = 0.0025253 k( 368) = ( 0.0000000 0.5000000 0.2544992), wk = 0.0025253 k( 369) = ( 0.0000000 0.5000000 0.2655644), wk = 0.0025253 k( 370) = ( 0.0000000 0.5000000 0.2766296), wk = 0.0025253 k( 371) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 372) = ( 0.5000000 0.5000000 0.0110652), wk = 0.0025253 k( 373) = ( 0.5000000 0.5000000 0.0221304), wk = 0.0025253 k( 374) = ( 0.5000000 0.5000000 0.0331955), wk = 0.0025253 k( 375) = ( 0.5000000 0.5000000 0.0442607), wk = 0.0025253 k( 376) = ( 0.5000000 0.5000000 0.0553259), wk = 0.0025253 k( 377) = ( 0.5000000 0.5000000 0.0663911), wk = 0.0025253 k( 378) = ( 0.5000000 0.5000000 0.0774563), wk = 0.0025253 k( 379) = ( 0.5000000 0.5000000 0.0885215), wk = 0.0025253 k( 380) = ( 0.5000000 0.5000000 0.0995866), wk = 0.0025253 k( 381) = ( 0.5000000 0.5000000 0.1106518), wk = 0.0025253 k( 382) = ( 0.5000000 0.5000000 0.1217170), wk = 0.0025253 k( 383) = ( 0.5000000 0.5000000 0.1327822), wk = 0.0025253 k( 384) = ( 0.5000000 0.5000000 0.1438474), wk = 0.0025253 k( 385) = ( 0.5000000 0.5000000 0.1549126), wk = 0.0025253 k( 386) = ( 0.5000000 0.5000000 0.1659777), wk = 0.0025253 k( 387) = ( 0.5000000 0.5000000 0.1770429), wk = 0.0025253 k( 388) = ( 0.5000000 0.5000000 0.1881081), wk = 0.0025253 k( 389) = ( 0.5000000 0.5000000 0.1991733), wk = 0.0025253 k( 390) = ( 0.5000000 0.5000000 0.2102385), wk = 0.0025253 k( 391) = ( 0.5000000 0.5000000 0.2213037), wk = 0.0025253 k( 392) = ( 0.5000000 0.5000000 0.2323688), wk = 0.0025253 k( 393) = ( 0.5000000 0.5000000 0.2434340), wk = 0.0025253 k( 394) = ( 0.5000000 0.5000000 0.2544992), wk = 0.0025253 k( 395) = ( 0.5000000 0.5000000 0.2655644), wk = 0.0025253 k( 396) = ( 0.5000000 0.5000000 0.2766296), wk = 0.0025253 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0000000 0.0108696 0.0000000), wk = 0.0025253 k( 3) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0025253 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0025253 k( 6) = ( 0.0000000 0.0543478 0.0000000), wk = 0.0025253 k( 7) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0025253 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0025253 k( 9) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0025253 k( 10) = ( 0.0000000 0.0978261 0.0000000), wk = 0.0025253 k( 11) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0025253 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0025253 k( 13) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0025253 k( 14) = ( 0.0000000 0.1413043 0.0000000), wk = 0.0025253 k( 15) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0025253 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0025253 k( 17) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0025253 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0025253 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0025253 k( 20) = ( 0.0000000 0.2065217 0.0000000), wk = 0.0025253 k( 21) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0025253 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0025253 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0025253 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025253 k( 25) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0025253 k( 26) = ( 0.0000000 0.2717391 0.0000000), wk = 0.0025253 k( 27) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0025253 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0025253 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0025253 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0025253 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0025253 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0025253 k( 33) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0025253 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0025253 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0025253 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0025253 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0025253 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0025253 k( 39) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0025253 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0025253 k( 41) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0025253 k( 42) = ( 0.0000000 0.4456522 0.0000000), wk = 0.0025253 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0025253 k( 44) = ( 0.0000000 0.4673913 0.0000000), wk = 0.0025253 k( 45) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0025253 k( 46) = ( 0.0000000 0.4891304 0.0000000), wk = 0.0025253 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0025253 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0025253 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0025253 k( 52) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0025253 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0025253 k( 54) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0025253 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0025253 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0025253 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0025253 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0025253 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0025253 k( 60) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0025253 k( 61) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0025253 k( 62) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0025253 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0025253 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0025253 k( 65) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0025253 k( 66) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0025253 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0025253 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0025253 k( 69) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0025253 k( 70) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0025253 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025253 k( 72) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0025253 k( 73) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0025253 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0025253 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0025253 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0025253 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0025253 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0025253 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0025253 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0025253 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0025253 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0025253 k( 83) = ( 0.3804348 0.5000000 0.0000000), wk = 0.0025253 k( 84) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0025253 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0025253 k( 86) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0025253 k( 87) = ( 0.4239130 0.5000000 0.0000000), wk = 0.0025253 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0025253 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0025253 k( 90) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0025253 k( 91) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0025253 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0025253 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0025253 k( 94) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 95) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 96) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0025253 k( 97) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0025253 k( 98) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0025253 k( 99) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0025253 k( 100) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0025253 k( 101) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0025253 k( 102) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0025253 k( 103) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0025253 k( 104) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0025253 k( 105) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0025253 k( 106) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0025253 k( 107) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0025253 k( 108) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0025253 k( 109) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0025253 k( 110) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0025253 k( 111) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025253 k( 112) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0025253 k( 113) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0025253 k( 114) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0025253 k( 115) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0025253 k( 116) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0025253 k( 117) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0025253 k( 118) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0025253 k( 119) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0025253 k( 120) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0025253 k( 121) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0025253 k( 122) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0025253 k( 123) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0025253 k( 124) = ( 0.2734375 0.2734375 0.0000000), wk = 0.0025253 k( 125) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0025253 k( 126) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0025253 k( 127) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025253 k( 128) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0025253 k( 129) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0025253 k( 130) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0025253 k( 131) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0025253 k( 132) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0025253 k( 133) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0025253 k( 134) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0025253 k( 135) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0025253 k( 136) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0025253 k( 137) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0025253 k( 138) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0025253 k( 139) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0025253 k( 140) = ( 0.1484375 0.1484375 0.0000000), wk = 0.0025253 k( 141) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0025253 k( 142) = ( 0.1328125 0.1328125 0.0000000), wk = 0.0025253 k( 143) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0025253 k( 144) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0025253 k( 145) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0025253 k( 146) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0025253 k( 147) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0025253 k( 148) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0025253 k( 149) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0025253 k( 150) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0025253 k( 151) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0025253 k( 152) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0025253 k( 153) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0025253 k( 154) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0025253 k( 155) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0025253 k( 156) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0025253 k( 157) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0025253 k( 158) = ( 0.0078125 0.0078125 0.0000000), wk = 0.0025253 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 161) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025253 k( 162) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025253 k( 163) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025253 k( 164) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025253 k( 165) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025253 k( 174) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025253 k( 175) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025253 k( 176) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025253 k( 177) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025253 k( 178) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025253 k( 179) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025253 k( 180) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025253 k( 181) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025253 k( 182) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025253 k( 183) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025253 k( 184) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025253 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 187) = ( 0.0000000 0.0108696 0.5000000), wk = 0.0025253 k( 188) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0025253 k( 189) = ( 0.0000000 0.0326087 0.5000000), wk = 0.0025253 k( 190) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0025253 k( 191) = ( 0.0000000 0.0543478 0.5000000), wk = 0.0025253 k( 192) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0025253 k( 193) = ( 0.0000000 0.0760870 0.5000000), wk = 0.0025253 k( 194) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0025253 k( 195) = ( 0.0000000 0.0978261 0.5000000), wk = 0.0025253 k( 196) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0025253 k( 197) = ( 0.0000000 0.1195652 0.5000000), wk = 0.0025253 k( 198) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0025253 k( 199) = ( 0.0000000 0.1413043 0.5000000), wk = 0.0025253 k( 200) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0025253 k( 201) = ( 0.0000000 0.1630435 0.5000000), wk = 0.0025253 k( 202) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0025253 k( 203) = ( 0.0000000 0.1847826 0.5000000), wk = 0.0025253 k( 204) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0025253 k( 205) = ( 0.0000000 0.2065217 0.5000000), wk = 0.0025253 k( 206) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0025253 k( 207) = ( 0.0000000 0.2282609 0.5000000), wk = 0.0025253 k( 208) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0025253 k( 209) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025253 k( 210) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0025253 k( 211) = ( 0.0000000 0.2717391 0.5000000), wk = 0.0025253 k( 212) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0025253 k( 213) = ( 0.0000000 0.2934783 0.5000000), wk = 0.0025253 k( 214) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0025253 k( 215) = ( 0.0000000 0.3152174 0.5000000), wk = 0.0025253 k( 216) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0025253 k( 217) = ( 0.0000000 0.3369565 0.5000000), wk = 0.0025253 k( 218) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0025253 k( 219) = ( 0.0000000 0.3586956 0.5000000), wk = 0.0025253 k( 220) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0025253 k( 221) = ( 0.0000000 0.3804348 0.5000000), wk = 0.0025253 k( 222) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0025253 k( 223) = ( 0.0000000 0.4021739 0.5000000), wk = 0.0025253 k( 224) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0025253 k( 225) = ( 0.0000000 0.4239130 0.5000000), wk = 0.0025253 k( 226) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0025253 k( 227) = ( 0.0000000 0.4456522 0.5000000), wk = 0.0025253 k( 228) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0025253 k( 229) = ( 0.0000000 0.4673913 0.5000000), wk = 0.0025253 k( 230) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0025253 k( 231) = ( 0.0000000 0.4891304 0.5000000), wk = 0.0025253 k( 232) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 233) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 234) = ( 0.0108696 0.5000000 0.5000000), wk = 0.0025253 k( 235) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0025253 k( 236) = ( 0.0326087 0.5000000 0.5000000), wk = 0.0025253 k( 237) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0025253 k( 238) = ( 0.0543478 0.5000000 0.5000000), wk = 0.0025253 k( 239) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0025253 k( 240) = ( 0.0760870 0.5000000 0.5000000), wk = 0.0025253 k( 241) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0025253 k( 242) = ( 0.0978261 0.5000000 0.5000000), wk = 0.0025253 k( 243) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0025253 k( 244) = ( 0.1195652 0.5000000 0.5000000), wk = 0.0025253 k( 245) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0025253 k( 246) = ( 0.1413043 0.5000000 0.5000000), wk = 0.0025253 k( 247) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0025253 k( 248) = ( 0.1630435 0.5000000 0.5000000), wk = 0.0025253 k( 249) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0025253 k( 250) = ( 0.1847826 0.5000000 0.5000000), wk = 0.0025253 k( 251) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0025253 k( 252) = ( 0.2065217 0.5000000 0.5000000), wk = 0.0025253 k( 253) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0025253 k( 254) = ( 0.2282609 0.5000000 0.5000000), wk = 0.0025253 k( 255) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0025253 k( 256) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025253 k( 257) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0025253 k( 258) = ( 0.2717391 0.5000000 0.5000000), wk = 0.0025253 k( 259) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0025253 k( 260) = ( 0.2934783 0.5000000 0.5000000), wk = 0.0025253 k( 261) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0025253 k( 262) = ( 0.3152174 0.5000000 0.5000000), wk = 0.0025253 k( 263) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0025253 k( 264) = ( 0.3369565 0.5000000 0.5000000), wk = 0.0025253 k( 265) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0025253 k( 266) = ( 0.3586956 0.5000000 0.5000000), wk = 0.0025253 k( 267) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0025253 k( 268) = ( 0.3804348 0.5000000 0.5000000), wk = 0.0025253 k( 269) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0025253 k( 270) = ( 0.4021739 0.5000000 0.5000000), wk = 0.0025253 k( 271) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0025253 k( 272) = ( 0.4239130 0.5000000 0.5000000), wk = 0.0025253 k( 273) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0025253 k( 274) = ( 0.4456522 0.5000000 0.5000000), wk = 0.0025253 k( 275) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0025253 k( 276) = ( 0.4673913 0.5000000 0.5000000), wk = 0.0025253 k( 277) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0025253 k( 278) = ( 0.4891304 0.5000000 0.5000000), wk = 0.0025253 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 281) = ( 0.4921875 0.4921875 0.5000000), wk = 0.0025253 k( 282) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0025253 k( 283) = ( 0.4765625 0.4765625 0.5000000), wk = 0.0025253 k( 284) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0025253 k( 285) = ( 0.4609375 0.4609375 0.5000000), wk = 0.0025253 k( 286) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0025253 k( 287) = ( 0.4453125 0.4453125 0.5000000), wk = 0.0025253 k( 288) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0025253 k( 289) = ( 0.4296875 0.4296875 0.5000000), wk = 0.0025253 k( 290) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0025253 k( 291) = ( 0.4140625 0.4140625 0.5000000), wk = 0.0025253 k( 292) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0025253 k( 293) = ( 0.3984375 0.3984375 0.5000000), wk = 0.0025253 k( 294) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0025253 k( 295) = ( 0.3828125 0.3828125 0.5000000), wk = 0.0025253 k( 296) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025253 k( 297) = ( 0.3671875 0.3671875 0.5000000), wk = 0.0025253 k( 298) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0025253 k( 299) = ( 0.3515625 0.3515625 0.5000000), wk = 0.0025253 k( 300) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0025253 k( 301) = ( 0.3359375 0.3359375 0.5000000), wk = 0.0025253 k( 302) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0025253 k( 303) = ( 0.3203125 0.3203125 0.5000000), wk = 0.0025253 k( 304) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0025253 k( 305) = ( 0.3046875 0.3046875 0.5000000), wk = 0.0025253 k( 306) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0025253 k( 307) = ( 0.2890625 0.2890625 0.5000000), wk = 0.0025253 k( 308) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0025253 k( 309) = ( 0.2734375 0.2734375 0.5000000), wk = 0.0025253 k( 310) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0025253 k( 311) = ( 0.2578125 0.2578125 0.5000000), wk = 0.0025253 k( 312) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025253 k( 313) = ( 0.2421875 0.2421875 0.5000000), wk = 0.0025253 k( 314) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0025253 k( 315) = ( 0.2265625 0.2265625 0.5000000), wk = 0.0025253 k( 316) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0025253 k( 317) = ( 0.2109375 0.2109375 0.5000000), wk = 0.0025253 k( 318) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0025253 k( 319) = ( 0.1953125 0.1953125 0.5000000), wk = 0.0025253 k( 320) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0025253 k( 321) = ( 0.1796875 0.1796875 0.5000000), wk = 0.0025253 k( 322) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0025253 k( 323) = ( 0.1640625 0.1640625 0.5000000), wk = 0.0025253 k( 324) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0025253 k( 325) = ( 0.1484375 0.1484375 0.5000000), wk = 0.0025253 k( 326) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0025253 k( 327) = ( 0.1328125 0.1328125 0.5000000), wk = 0.0025253 k( 328) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025253 k( 329) = ( 0.1171875 0.1171875 0.5000000), wk = 0.0025253 k( 330) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0025253 k( 331) = ( 0.1015625 0.1015625 0.5000000), wk = 0.0025253 k( 332) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0025253 k( 333) = ( 0.0859375 0.0859375 0.5000000), wk = 0.0025253 k( 334) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0025253 k( 335) = ( 0.0703125 0.0703125 0.5000000), wk = 0.0025253 k( 336) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0025253 k( 337) = ( 0.0546875 0.0546875 0.5000000), wk = 0.0025253 k( 338) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0025253 k( 339) = ( 0.0390625 0.0390625 0.5000000), wk = 0.0025253 k( 340) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0025253 k( 341) = ( 0.0234375 0.0234375 0.5000000), wk = 0.0025253 k( 342) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0025253 k( 343) = ( 0.0078125 0.0078125 0.5000000), wk = 0.0025253 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 345) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025253 k( 346) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0025253 k( 347) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0025253 k( 348) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0025253 k( 349) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0025253 k( 350) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025253 k( 351) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0025253 k( 352) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0025253 k( 353) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0025253 k( 354) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0025253 k( 355) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025253 k( 356) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0025253 k( 357) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0025253 k( 358) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0025253 k( 359) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0025253 k( 360) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025253 k( 361) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0025253 k( 362) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0025253 k( 363) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0025253 k( 364) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0025253 k( 365) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025253 k( 366) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0025253 k( 367) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0025253 k( 368) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0025253 k( 369) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0025253 k( 370) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 371) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 372) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0025253 k( 373) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0025253 k( 374) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0025253 k( 375) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0025253 k( 376) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025253 k( 377) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0025253 k( 378) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0025253 k( 379) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0025253 k( 380) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0025253 k( 381) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025253 k( 382) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0025253 k( 383) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0025253 k( 384) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0025253 k( 385) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0025253 k( 386) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025253 k( 387) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0025253 k( 388) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0025253 k( 389) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0025253 k( 390) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0025253 k( 391) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025253 k( 392) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0025253 k( 393) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0025253 k( 394) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0025253 k( 395) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0025253 k( 396) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 Dense grid: 50529 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 38129 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 272, 48) NL pseudopotentials 0.22 Mb ( 136, 104) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1409) G-vector shells 0.01 Mb ( 713) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 272, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.15 Mb ( 104, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaAlF4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.2 secs Computing kpt #: 21 total cpu time spent up to now is 7.4 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 8.0 secs Computing kpt #: 24 total cpu time spent up to now is 8.2 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.0 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.5 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.3 secs Computing kpt #: 33 total cpu time spent up to now is 10.6 secs Computing kpt #: 34 total cpu time spent up to now is 10.8 secs Computing kpt #: 35 total cpu time spent up to now is 11.1 secs Computing kpt #: 36 total cpu time spent up to now is 11.3 secs Computing kpt #: 37 total cpu time spent up to now is 11.6 secs Computing kpt #: 38 total cpu time spent up to now is 11.8 secs Computing kpt #: 39 total cpu time spent up to now is 12.1 secs Computing kpt #: 40 total cpu time spent up to now is 12.4 secs Computing kpt #: 41 total cpu time spent up to now is 12.6 secs Computing kpt #: 42 total cpu time spent up to now is 12.9 secs Computing kpt #: 43 total cpu time spent up to now is 13.2 secs Computing kpt #: 44 total cpu time spent up to now is 13.4 secs Computing kpt #: 45 total cpu time spent up to now is 13.7 secs Computing kpt #: 46 total cpu time spent up to now is 14.0 secs Computing kpt #: 47 total cpu time spent up to now is 14.2 secs Computing kpt #: 48 total cpu time spent up to now is 14.5 secs Computing kpt #: 49 total cpu time spent up to now is 14.8 secs Computing kpt #: 50 total cpu time spent up to now is 15.1 secs Computing kpt #: 51 total cpu time spent up to now is 15.3 secs Computing kpt #: 52 total cpu time spent up to now is 15.6 secs Computing kpt #: 53 total cpu time spent up to now is 15.9 secs Computing kpt #: 54 total cpu time spent up to now is 16.2 secs Computing kpt #: 55 total cpu time spent up to now is 16.4 secs Computing kpt #: 56 total cpu time spent up to now is 16.7 secs Computing kpt #: 57 total cpu time spent up to now is 17.0 secs Computing kpt #: 58 total cpu time spent up to now is 17.3 secs Computing kpt #: 59 total cpu time spent up to now is 17.6 secs Computing kpt #: 60 total cpu time spent up to now is 17.8 secs Computing kpt #: 61 total cpu time spent up to now is 18.1 secs Computing kpt #: 62 total cpu time spent up to now is 18.4 secs Computing kpt #: 63 total cpu time spent up to now is 18.7 secs Computing kpt #: 64 total cpu time spent up to now is 19.0 secs Computing kpt #: 65 total cpu time spent up to now is 19.2 secs Computing kpt #: 66 total cpu time spent up to now is 19.5 secs Computing kpt #: 67 total cpu time spent up to now is 19.8 secs Computing kpt #: 68 total cpu time spent up to now is 20.1 secs Computing kpt #: 69 total cpu time spent up to now is 20.4 secs Computing kpt #: 70 total cpu time spent up to now is 20.7 secs Computing kpt #: 71 total cpu time spent up to now is 21.0 secs Computing kpt #: 72 total cpu time spent up to now is 21.3 secs Computing kpt #: 73 total cpu time spent up to now is 21.6 secs Computing kpt #: 74 total cpu time spent up to now is 21.9 secs Computing kpt #: 75 total cpu time spent up to now is 22.2 secs Computing kpt #: 76 total cpu time spent up to now is 22.5 secs Computing kpt #: 77 total cpu time spent up to now is 22.8 secs Computing kpt #: 78 total cpu time spent up to now is 23.1 secs Computing kpt #: 79 total cpu time spent up to now is 23.5 secs Computing kpt #: 80 total cpu time spent up to now is 23.8 secs Computing kpt #: 81 total cpu time spent up to now is 24.1 secs Computing kpt #: 82 total cpu time spent up to now is 24.4 secs Computing kpt #: 83 total cpu time spent up to now is 24.7 secs Computing kpt #: 84 total cpu time spent up to now is 25.1 secs Computing kpt #: 85 total cpu time spent up to now is 25.4 secs Computing kpt #: 86 total cpu time spent up to now is 25.7 secs Computing kpt #: 87 total cpu time spent up to now is 26.0 secs Computing kpt #: 88 total cpu time spent up to now is 26.3 secs Computing kpt #: 89 total cpu time spent up to now is 26.6 secs Computing kpt #: 90 total cpu time spent up to now is 26.9 secs Computing kpt #: 91 total cpu time spent up to now is 27.2 secs Computing kpt #: 92 total cpu time spent up to now is 27.5 secs Computing kpt #: 93 total cpu time spent up to now is 27.8 secs Computing kpt #: 94 total cpu time spent up to now is 28.1 secs Computing kpt #: 95 total cpu time spent up to now is 28.4 secs Computing kpt #: 96 total cpu time spent up to now is 28.7 secs Computing kpt #: 97 total cpu time spent up to now is 29.0 secs Computing kpt #: 98 total cpu time spent up to now is 29.3 secs Computing kpt #: 99 total cpu time spent up to now is 29.6 secs Computing kpt #: 100 total cpu time spent up to now is 29.9 secs Computing kpt #: 101 total cpu time spent up to now is 30.3 secs Computing kpt #: 102 total cpu time spent up to now is 30.6 secs Computing kpt #: 103 total cpu time spent up to now is 30.9 secs Computing kpt #: 104 total cpu time spent up to now is 31.2 secs Computing kpt #: 105 total cpu time spent up to now is 31.5 secs Computing kpt #: 106 total cpu time spent up to now is 31.8 secs Computing kpt #: 107 total cpu time spent up to now is 32.1 secs Computing kpt #: 108 total cpu time spent up to now is 32.4 secs Computing kpt #: 109 total cpu time spent up to now is 32.7 secs Computing kpt #: 110 total cpu time spent up to now is 33.0 secs Computing kpt #: 111 total cpu time spent up to now is 33.4 secs Computing kpt #: 112 total cpu time spent up to now is 33.7 secs Computing kpt #: 113 total cpu time spent up to now is 34.0 secs Computing kpt #: 114 total cpu time spent up to now is 34.3 secs Computing kpt #: 115 total cpu time spent up to now is 34.7 secs Computing kpt #: 116 total cpu time spent up to now is 35.0 secs Computing kpt #: 117 total cpu time spent up to now is 35.3 secs Computing kpt #: 118 total cpu time spent up to now is 35.7 secs Computing kpt #: 119 total cpu time spent up to now is 36.0 secs Computing kpt #: 120 total cpu time spent up to now is 36.3 secs Computing kpt #: 121 total cpu time spent up to now is 36.6 secs Computing kpt #: 122 total cpu time spent up to now is 36.9 secs Computing kpt #: 123 total cpu time spent up to now is 37.3 secs Computing kpt #: 124 total cpu time spent up to now is 37.6 secs Computing kpt #: 125 total cpu time spent up to now is 37.9 secs Computing kpt #: 126 total cpu time spent up to now is 38.2 secs Computing kpt #: 127 total cpu time spent up to now is 38.5 secs Computing kpt #: 128 total cpu time spent up to now is 38.8 secs Computing kpt #: 129 total cpu time spent up to now is 39.1 secs Computing kpt #: 130 total cpu time spent up to now is 39.4 secs Computing kpt #: 131 total cpu time spent up to now is 39.6 secs Computing kpt #: 132 total cpu time spent up to now is 40.0 secs Computing kpt #: 133 total cpu time spent up to now is 40.3 secs Computing kpt #: 134 total cpu time spent up to now is 40.6 secs Computing kpt #: 135 total cpu time spent up to now is 40.9 secs Computing kpt #: 136 total cpu time spent up to now is 41.2 secs Computing kpt #: 137 total cpu time spent up to now is 41.5 secs Computing kpt #: 138 total cpu time spent up to now is 41.8 secs Computing kpt #: 139 total cpu time spent up to now is 42.1 secs Computing kpt #: 140 total cpu time spent up to now is 42.4 secs Computing kpt #: 141 total cpu time spent up to now is 42.7 secs Computing kpt #: 142 total cpu time spent up to now is 43.0 secs Computing kpt #: 143 total cpu time spent up to now is 43.3 secs Computing kpt #: 144 total cpu time spent up to now is 43.6 secs Computing kpt #: 145 total cpu time spent up to now is 43.9 secs Computing kpt #: 146 total cpu time spent up to now is 44.2 secs Computing kpt #: 147 total cpu time spent up to now is 44.4 secs Computing kpt #: 148 total cpu time spent up to now is 44.7 secs Computing kpt #: 149 total cpu time spent up to now is 45.0 secs Computing kpt #: 150 total cpu time spent up to now is 45.3 secs Computing kpt #: 151 total cpu time spent up to now is 45.5 secs Computing kpt #: 152 total cpu time spent up to now is 45.8 secs Computing kpt #: 153 total cpu time spent up to now is 46.1 secs Computing kpt #: 154 total cpu time spent up to now is 46.4 secs Computing kpt #: 155 total cpu time spent up to now is 46.6 secs Computing kpt #: 156 total cpu time spent up to now is 46.9 secs Computing kpt #: 157 total cpu time spent up to now is 47.2 secs Computing kpt #: 158 total cpu time spent up to now is 47.4 secs Computing kpt #: 159 total cpu time spent up to now is 47.7 secs Computing kpt #: 160 total cpu time spent up to now is 48.0 secs Computing kpt #: 161 total cpu time spent up to now is 48.2 secs Computing kpt #: 162 total cpu time spent up to now is 48.5 secs Computing kpt #: 163 total cpu time spent up to now is 48.8 secs Computing kpt #: 164 total cpu time spent up to now is 49.1 secs Computing kpt #: 165 total cpu time spent up to now is 49.3 secs Computing kpt #: 166 total cpu time spent up to now is 49.6 secs Computing kpt #: 167 total cpu time spent up to now is 49.9 secs Computing kpt #: 168 total cpu time spent up to now is 50.1 secs Computing kpt #: 169 total cpu time spent up to now is 50.4 secs Computing kpt #: 170 total cpu time spent up to now is 50.7 secs Computing kpt #: 171 total cpu time spent up to now is 50.9 secs Computing kpt #: 172 total cpu time spent up to now is 51.2 secs Computing kpt #: 173 total cpu time spent up to now is 51.5 secs Computing kpt #: 174 total cpu time spent up to now is 51.8 secs Computing kpt #: 175 total cpu time spent up to now is 52.1 secs Computing kpt #: 176 total cpu time spent up to now is 52.3 secs Computing kpt #: 177 total cpu time spent up to now is 52.6 secs Computing kpt #: 178 total cpu time spent up to now is 52.9 secs Computing kpt #: 179 total cpu time spent up to now is 53.2 secs Computing kpt #: 180 total cpu time spent up to now is 53.6 secs Computing kpt #: 181 total cpu time spent up to now is 54.0 secs Computing kpt #: 182 total cpu time spent up to now is 54.3 secs Computing kpt #: 183 total cpu time spent up to now is 54.7 secs Computing kpt #: 184 total cpu time spent up to now is 55.1 secs Computing kpt #: 185 total cpu time spent up to now is 55.4 secs Computing kpt #: 186 total cpu time spent up to now is 55.8 secs Computing kpt #: 187 total cpu time spent up to now is 56.1 secs Computing kpt #: 188 total cpu time spent up to now is 56.5 secs Computing kpt #: 189 total cpu time spent up to now is 56.9 secs Computing kpt #: 190 total cpu time spent up to now is 57.2 secs Computing kpt #: 191 total cpu time spent up to now is 57.6 secs Computing kpt #: 192 total cpu time spent up to now is 57.9 secs Computing kpt #: 193 total cpu time spent up to now is 58.3 secs Computing kpt #: 194 total cpu time spent up to now is 58.6 secs Computing kpt #: 195 total cpu time spent up to now is 59.0 secs Computing kpt #: 196 total cpu time spent up to now is 59.3 secs Computing kpt #: 197 total cpu time spent up to now is 59.6 secs Computing kpt #: 198 total cpu time spent up to now is 60.0 secs Computing kpt #: 199 total cpu time spent up to now is 60.3 secs Computing kpt #: 200 total cpu time spent up to now is 60.6 secs Computing kpt #: 201 total cpu time spent up to now is 60.9 secs Computing kpt #: 202 total cpu time spent up to now is 61.2 secs Computing kpt #: 203 total cpu time spent up to now is 61.5 secs Computing kpt #: 204 total cpu time spent up to now is 61.8 secs Computing kpt #: 205 total cpu time spent up to now is 62.1 secs Computing kpt #: 206 total cpu time spent up to now is 62.3 secs Computing kpt #: 207 total cpu time spent up to now is 62.6 secs Computing kpt #: 208 total cpu time spent up to now is 62.9 secs Computing kpt #: 209 total cpu time spent up to now is 63.2 secs Computing kpt #: 210 total cpu time spent up to now is 63.4 secs Computing kpt #: 211 total cpu time spent up to now is 63.7 secs Computing kpt #: 212 total cpu time spent up to now is 64.0 secs Computing kpt #: 213 total cpu time spent up to now is 64.3 secs Computing kpt #: 214 total cpu time spent up to now is 64.5 secs Computing kpt #: 215 total cpu time spent up to now is 64.8 secs Computing kpt #: 216 total cpu time spent up to now is 65.1 secs Computing kpt #: 217 total cpu time spent up to now is 65.3 secs Computing kpt #: 218 total cpu time spent up to now is 65.6 secs Computing kpt #: 219 total cpu time spent up to now is 65.9 secs Computing kpt #: 220 total cpu time spent up to now is 66.2 secs Computing kpt #: 221 total cpu time spent up to now is 66.4 secs Computing kpt #: 222 total cpu time spent up to now is 66.7 secs Computing kpt #: 223 total cpu time spent up to now is 67.0 secs Computing kpt #: 224 total cpu time spent up to now is 67.2 secs Computing kpt #: 225 total cpu time spent up to now is 67.5 secs Computing kpt #: 226 total cpu time spent up to now is 67.8 secs Computing kpt #: 227 total cpu time spent up to now is 68.1 secs Computing kpt #: 228 total cpu time spent up to now is 68.3 secs Computing kpt #: 229 total cpu time spent up to now is 68.6 secs Computing kpt #: 230 total cpu time spent up to now is 68.8 secs Computing kpt #: 231 total cpu time spent up to now is 69.1 secs Computing kpt #: 232 total cpu time spent up to now is 69.4 secs Computing kpt #: 233 total cpu time spent up to now is 69.6 secs Computing kpt #: 234 total cpu time spent up to now is 69.9 secs Computing kpt #: 235 total cpu time spent up to now is 70.1 secs Computing kpt #: 236 total cpu time spent up to now is 70.4 secs Computing kpt #: 237 total cpu time spent up to now is 70.7 secs Computing kpt #: 238 total cpu time spent up to now is 70.9 secs Computing kpt #: 239 total cpu time spent up to now is 71.2 secs Computing kpt #: 240 total cpu time spent up to now is 71.5 secs Computing kpt #: 241 total cpu time spent up to now is 71.8 secs Computing kpt #: 242 total cpu time spent up to now is 72.0 secs Computing kpt #: 243 total cpu time spent up to now is 72.3 secs Computing kpt #: 244 total cpu time spent up to now is 72.6 secs Computing kpt #: 245 total cpu time spent up to now is 72.8 secs Computing kpt #: 246 total cpu time spent up to now is 73.1 secs Computing kpt #: 247 total cpu time spent up to now is 73.4 secs Computing kpt #: 248 total cpu time spent up to now is 73.6 secs Computing kpt #: 249 total cpu time spent up to now is 73.9 secs Computing kpt #: 250 total cpu time spent up to now is 74.2 secs Computing kpt #: 251 total cpu time spent up to now is 74.4 secs Computing kpt #: 252 total cpu time spent up to now is 74.7 secs Computing kpt #: 253 total cpu time spent up to now is 75.0 secs Computing kpt #: 254 total cpu time spent up to now is 75.3 secs Computing kpt #: 255 total cpu time spent up to now is 75.6 secs Computing kpt #: 256 total cpu time spent up to now is 75.9 secs Computing kpt #: 257 total cpu time spent up to now is 76.2 secs Computing kpt #: 258 total cpu time spent up to now is 76.5 secs Computing kpt #: 259 total cpu time spent up to now is 76.8 secs Computing kpt #: 260 total cpu time spent up to now is 77.2 secs Computing kpt #: 261 total cpu time spent up to now is 77.5 secs Computing kpt #: 262 total cpu time spent up to now is 77.8 secs Computing kpt #: 263 total cpu time spent up to now is 78.1 secs Computing kpt #: 264 total cpu time spent up to now is 78.5 secs Computing kpt #: 265 total cpu time spent up to now is 78.8 secs Computing kpt #: 266 total cpu time spent up to now is 79.1 secs Computing kpt #: 267 total cpu time spent up to now is 79.4 secs Computing kpt #: 268 total cpu time spent up to now is 79.7 secs Computing kpt #: 269 total cpu time spent up to now is 80.0 secs Computing kpt #: 270 total cpu time spent up to now is 80.3 secs Computing kpt #: 271 total cpu time spent up to now is 80.6 secs Computing kpt #: 272 total cpu time spent up to now is 80.9 secs Computing kpt #: 273 total cpu time spent up to now is 81.2 secs Computing kpt #: 274 total cpu time spent up to now is 81.5 secs Computing kpt #: 275 total cpu time spent up to now is 81.8 secs Computing kpt #: 276 total cpu time spent up to now is 82.1 secs Computing kpt #: 277 total cpu time spent up to now is 82.4 secs Computing kpt #: 278 total cpu time spent up to now is 82.7 secs Computing kpt #: 279 total cpu time spent up to now is 83.0 secs Computing kpt #: 280 total cpu time spent up to now is 83.4 secs Computing kpt #: 281 total cpu time spent up to now is 83.7 secs Computing kpt #: 282 total cpu time spent up to now is 84.0 secs Computing kpt #: 283 total cpu time spent up to now is 84.3 secs Computing kpt #: 284 total cpu time spent up to now is 84.6 secs Computing kpt #: 285 total cpu time spent up to now is 85.0 secs Computing kpt #: 286 total cpu time spent up to now is 85.3 secs Computing kpt #: 287 total cpu time spent up to now is 85.6 secs Computing kpt #: 288 total cpu time spent up to now is 85.9 secs Computing kpt #: 289 total cpu time spent up to now is 86.2 secs Computing kpt #: 290 total cpu time spent up to now is 86.4 secs Computing kpt #: 291 total cpu time spent up to now is 86.7 secs Computing kpt #: 292 total cpu time spent up to now is 87.0 secs Computing kpt #: 293 total cpu time spent up to now is 87.3 secs Computing kpt #: 294 total cpu time spent up to now is 87.6 secs Computing kpt #: 295 total cpu time spent up to now is 87.9 secs Computing kpt #: 296 total cpu time spent up to now is 88.2 secs Computing kpt #: 297 total cpu time spent up to now is 88.5 secs Computing kpt #: 298 total cpu time spent up to now is 88.8 secs Computing kpt #: 299 total cpu time spent up to now is 89.1 secs Computing kpt #: 300 total cpu time spent up to now is 89.4 secs Computing kpt #: 301 total cpu time spent up to now is 89.6 secs Computing kpt #: 302 total cpu time spent up to now is 89.9 secs Computing kpt #: 303 total cpu time spent up to now is 90.2 secs Computing kpt #: 304 total cpu time spent up to now is 90.5 secs Computing kpt #: 305 total cpu time spent up to now is 90.8 secs Computing kpt #: 306 total cpu time spent up to now is 91.1 secs Computing kpt #: 307 total cpu time spent up to now is 91.4 secs Computing kpt #: 308 total cpu time spent up to now is 91.6 secs Computing kpt #: 309 total cpu time spent up to now is 91.9 secs Computing kpt #: 310 total cpu time spent up to now is 92.3 secs Computing kpt #: 311 total cpu time spent up to now is 92.6 secs Computing kpt #: 312 total cpu time spent up to now is 92.9 secs Computing kpt #: 313 total cpu time spent up to now is 93.2 secs Computing kpt #: 314 total cpu time spent up to now is 93.6 secs Computing kpt #: 315 total cpu time spent up to now is 94.0 secs Computing kpt #: 316 total cpu time spent up to now is 94.3 secs Computing kpt #: 317 total cpu time spent up to now is 94.6 secs Computing kpt #: 318 total cpu time spent up to now is 94.9 secs Computing kpt #: 319 total cpu time spent up to now is 95.2 secs Computing kpt #: 320 total cpu time spent up to now is 95.5 secs Computing kpt #: 321 total cpu time spent up to now is 95.8 secs Computing kpt #: 322 total cpu time spent up to now is 96.1 secs Computing kpt #: 323 total cpu time spent up to now is 96.5 secs Computing kpt #: 324 total cpu time spent up to now is 96.8 secs Computing kpt #: 325 total cpu time spent up to now is 97.1 secs Computing kpt #: 326 total cpu time spent up to now is 97.4 secs Computing kpt #: 327 total cpu time spent up to now is 97.7 secs Computing kpt #: 328 total cpu time spent up to now is 98.0 secs Computing kpt #: 329 total cpu time spent up to now is 98.4 secs Computing kpt #: 330 total cpu time spent up to now is 98.7 secs Computing kpt #: 331 total cpu time spent up to now is 99.1 secs Computing kpt #: 332 total cpu time spent up to now is 99.4 secs Computing kpt #: 333 total cpu time spent up to now is 99.8 secs Computing kpt #: 334 total cpu time spent up to now is 100.1 secs Computing kpt #: 335 total cpu time spent up to now is 100.5 secs Computing kpt #: 336 total cpu time spent up to now is 100.8 secs Computing kpt #: 337 total cpu time spent up to now is 101.2 secs Computing kpt #: 338 total cpu time spent up to now is 101.5 secs Computing kpt #: 339 total cpu time spent up to now is 101.9 secs Computing kpt #: 340 total cpu time spent up to now is 102.2 secs Computing kpt #: 341 total cpu time spent up to now is 102.6 secs Computing kpt #: 342 total cpu time spent up to now is 103.0 secs Computing kpt #: 343 total cpu time spent up to now is 103.3 secs Computing kpt #: 344 total cpu time spent up to now is 103.7 secs Computing kpt #: 345 total cpu time spent up to now is 104.0 secs Computing kpt #: 346 total cpu time spent up to now is 104.2 secs Computing kpt #: 347 total cpu time spent up to now is 104.5 secs Computing kpt #: 348 total cpu time spent up to now is 104.8 secs Computing kpt #: 349 total cpu time spent up to now is 105.1 secs Computing kpt #: 350 total cpu time spent up to now is 105.4 secs Computing kpt #: 351 total cpu time spent up to now is 105.7 secs Computing kpt #: 352 total cpu time spent up to now is 106.0 secs Computing kpt #: 353 total cpu time spent up to now is 106.3 secs Computing kpt #: 354 total cpu time spent up to now is 106.9 secs Computing kpt #: 355 total cpu time spent up to now is 107.2 secs Computing kpt #: 356 total cpu time spent up to now is 107.5 secs Computing kpt #: 357 total cpu time spent up to now is 107.8 secs Computing kpt #: 358 total cpu time spent up to now is 108.0 secs Computing kpt #: 359 total cpu time spent up to now is 108.3 secs Computing kpt #: 360 total cpu time spent up to now is 108.6 secs Computing kpt #: 361 total cpu time spent up to now is 108.8 secs Computing kpt #: 362 total cpu time spent up to now is 109.1 secs Computing kpt #: 363 total cpu time spent up to now is 109.4 secs Computing kpt #: 364 total cpu time spent up to now is 109.6 secs Computing kpt #: 365 total cpu time spent up to now is 109.9 secs Computing kpt #: 366 total cpu time spent up to now is 110.2 secs Computing kpt #: 367 total cpu time spent up to now is 110.4 secs Computing kpt #: 368 total cpu time spent up to now is 110.7 secs Computing kpt #: 369 total cpu time spent up to now is 110.9 secs Computing kpt #: 370 total cpu time spent up to now is 111.2 secs Computing kpt #: 371 total cpu time spent up to now is 111.5 secs Computing kpt #: 372 total cpu time spent up to now is 111.8 secs Computing kpt #: 373 total cpu time spent up to now is 112.1 secs Computing kpt #: 374 total cpu time spent up to now is 112.4 secs Computing kpt #: 375 total cpu time spent up to now is 112.7 secs Computing kpt #: 376 total cpu time spent up to now is 113.0 secs Computing kpt #: 377 total cpu time spent up to now is 113.3 secs Computing kpt #: 378 total cpu time spent up to now is 113.6 secs Computing kpt #: 379 total cpu time spent up to now is 113.9 secs Computing kpt #: 380 total cpu time spent up to now is 114.1 secs Computing kpt #: 381 total cpu time spent up to now is 114.4 secs Computing kpt #: 382 total cpu time spent up to now is 114.7 secs Computing kpt #: 383 total cpu time spent up to now is 115.0 secs Computing kpt #: 384 total cpu time spent up to now is 115.4 secs Computing kpt #: 385 total cpu time spent up to now is 115.7 secs Computing kpt #: 386 total cpu time spent up to now is 116.0 secs Computing kpt #: 387 total cpu time spent up to now is 116.3 secs Computing kpt #: 388 total cpu time spent up to now is 116.6 secs Computing kpt #: 389 total cpu time spent up to now is 116.9 secs Computing kpt #: 390 total cpu time spent up to now is 117.2 secs Computing kpt #: 391 total cpu time spent up to now is 117.5 secs Computing kpt #: 392 total cpu time spent up to now is 117.8 secs Computing kpt #: 393 total cpu time spent up to now is 118.2 secs Computing kpt #: 394 total cpu time spent up to now is 118.5 secs Computing kpt #: 395 total cpu time spent up to now is 118.8 secs Computing kpt #: 396 total cpu time spent up to now is 119.1 secs ethr = 2.50E-08, avg # of iterations = 16.6 total cpu time spent up to now is 119.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4807 PWs) bands (ev): -47.9513 -47.9513 -21.8646 -21.8646 -20.4432 -20.4432 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8908 -18.8908 -18.8324 -18.8324 -4.7177 -4.7177 -4.7052 -4.7052 -2.9943 -2.9943 -1.8969 -1.8969 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0942 0.0942 0.1327 0.1327 0.1561 0.1561 0.2094 0.2094 0.2235 0.2235 6.6278 6.6278 10.8653 10.8653 11.7830 11.7830 14.1032 14.1032 k = 0.0000 0.0109-0.0000 ( 4803 PWs) bands (ev): -47.9513 -47.9513 -21.8642 -21.8642 -20.4435 -20.4435 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8908 -18.8908 -18.8323 -18.8323 -4.7176 -4.7176 -4.7051 -4.7051 -2.9940 -2.9940 -1.8965 -1.8965 -1.1332 -1.1332 -0.9401 -0.9401 -0.9066 -0.9066 0.0922 0.0922 0.1289 0.1289 0.1605 0.1605 0.2106 0.2106 0.2229 0.2229 6.6302 6.6302 10.8667 10.8667 11.7843 11.7843 14.1041 14.1041 k = 0.0000 0.0217-0.0000 ( 4795 PWs) bands (ev): -47.9513 -47.9513 -21.8628 -21.8628 -20.4445 -20.4445 -19.9738 -19.9738 -19.8066 -19.8066 -19.7758 -19.7758 -18.8907 -18.8907 -18.8323 -18.8323 -4.7176 -4.7176 -4.7047 -4.7047 -2.9931 -2.9931 -1.8954 -1.8954 -1.1367 -1.1367 -0.9424 -0.9424 -0.9090 -0.9090 0.0861 0.0861 0.1231 0.1231 0.1676 0.1676 0.2148 0.2148 0.2217 0.2217 6.6373 6.6373 10.8709 10.8709 11.7884 11.7884 14.1066 14.1066 k = 0.0000 0.0326-0.0000 ( 4781 PWs) bands (ev): -47.9513 -47.9513 -21.8606 -21.8606 -20.4462 -20.4462 -19.9738 -19.9738 -19.8065 -19.8065 -19.7759 -19.7759 -18.8906 -18.8906 -18.8322 -18.8322 -4.7178 -4.7178 -4.7037 -4.7037 -2.9916 -2.9916 -1.8937 -1.8937 -1.1425 -1.1425 -0.9463 -0.9463 -0.9129 -0.9129 0.0762 0.0762 0.1195 0.1195 0.1717 0.1717 0.2181 0.2181 0.2247 0.2247 6.6493 6.6493 10.8779 10.8779 11.7952 11.7952 14.1105 14.1105 k = 0.0000 0.0435-0.0000 ( 4783 PWs) bands (ev): -47.9513 -47.9513 -21.8574 -21.8574 -20.4485 -20.4485 -19.9739 -19.9739 -19.8066 -19.8066 -19.7762 -19.7762 -18.8904 -18.8904 -18.8320 -18.8320 -4.7189 -4.7189 -4.7016 -4.7016 -2.9895 -2.9895 -1.8913 -1.8913 -1.1506 -1.1506 -0.9518 -0.9518 -0.9185 -0.9185 0.0642 0.0642 0.1178 0.1178 0.1710 0.1710 0.2161 0.2161 0.2366 0.2366 6.6659 6.6659 10.8877 10.8877 11.8046 11.8046 14.1156 14.1156 k = 0.0000 0.0543-0.0000 ( 4783 PWs) bands (ev): -47.9512 -47.9512 -21.8534 -21.8534 -20.4515 -20.4515 -19.9739 -19.9739 -19.8066 -19.8066 -19.7765 -19.7765 -18.8902 -18.8902 -18.8318 -18.8318 -4.7207 -4.7207 -4.6984 -4.6984 -2.9869 -2.9869 -1.8883 -1.8883 -1.1610 -1.1610 -0.9588 -0.9588 -0.9256 -0.9256 0.0513 0.0513 0.1172 0.1172 0.1661 0.1661 0.2142 0.2142 0.2512 0.2512 6.6872 6.6872 10.9003 10.9003 11.8167 11.8167 14.1213 14.1213 k = 0.0000 0.0652-0.0000 ( 4781 PWs) bands (ev): -47.9512 -47.9512 -21.8485 -21.8485 -20.4552 -20.4552 -19.9740 -19.9740 -19.8066 -19.8066 -19.7769 -19.7769 -18.8900 -18.8900 -18.8316 -18.8316 -4.7234 -4.7234 -4.6940 -4.6940 -2.9836 -2.9836 -1.8847 -1.8847 -1.1735 -1.1735 -0.9673 -0.9673 -0.9342 -0.9342 0.0384 0.0384 0.1172 0.1172 0.1577 0.1577 0.2127 0.2127 0.2672 0.2672 6.7131 6.7131 10.9156 10.9156 11.8314 11.8314 14.1269 14.1269 k = 0.0000 0.0761-0.0000 ( 4775 PWs) bands (ev): -47.9512 -47.9512 -21.8427 -21.8427 -20.4595 -20.4595 -19.9741 -19.9741 -19.8066 -19.8066 -19.7774 -19.7774 -18.8897 -18.8897 -18.8313 -18.8313 -4.7267 -4.7267 -4.6886 -4.6886 -2.9798 -2.9798 -1.8805 -1.8805 -1.1881 -1.1881 -0.9772 -0.9772 -0.9442 -0.9442 0.0259 0.0259 0.1176 0.1176 0.1463 0.1463 0.2120 0.2120 0.2836 0.2836 6.7434 6.7434 10.9336 10.9336 11.8486 11.8486 14.1309 14.1309 k = 0.0000 0.0870-0.0000 ( 4771 PWs) bands (ev): -47.9512 -47.9512 -21.8360 -21.8360 -20.4645 -20.4645 -19.9741 -19.9741 -19.8067 -19.8067 -19.7778 -19.7778 -18.8893 -18.8893 -18.8310 -18.8310 -4.7306 -4.7306 -4.6822 -4.6822 -2.9753 -2.9753 -1.8759 -1.8759 -1.2048 -1.2048 -0.9885 -0.9885 -0.9557 -0.9557 0.0140 0.0140 0.1181 0.1181 0.1327 0.1327 0.2116 0.2116 0.3002 0.3002 6.7782 6.7782 10.9544 10.9544 11.8684 11.8684 14.1316 14.1316 k = 0.0000 0.0978-0.0000 ( 4767 PWs) bands (ev): -47.9511 -47.9511 -21.8285 -21.8285 -20.4702 -20.4702 -19.9743 -19.9743 -19.8068 -19.8068 -19.7784 -19.7784 -18.8890 -18.8890 -18.8307 -18.8307 -4.7350 -4.7350 -4.6750 -4.6750 -2.9704 -2.9704 -1.8709 -1.8709 -1.2235 -1.2235 -1.0011 -1.0011 -0.9685 -0.9685 0.0028 0.0028 0.1148 0.1148 0.1210 0.1210 0.2117 0.2117 0.3166 0.3166 6.8172 6.8172 10.9778 10.9778 11.8906 11.8906 14.1262 14.1262 k = 0.0000 0.1087-0.0000 ( 4767 PWs) bands (ev): -47.9511 -47.9511 -21.8201 -21.8201 -20.4765 -20.4765 -19.9744 -19.9744 -19.8069 -19.8069 -19.7790 -19.7790 -18.8885 -18.8885 -18.8303 -18.8303 -4.7399 -4.7399 -4.6668 -4.6668 -2.9648 -2.9648 -1.8656 -1.8656 -1.2441 -1.2441 -1.0151 -1.0151 -0.9825 -0.9825 -0.0075 -0.0075 0.0981 0.0981 0.1209 0.1209 0.2119 0.2119 0.3327 0.3327 6.8603 6.8603 11.0039 11.0039 11.9152 11.9152 14.1114 14.1114 k = 0.0000 0.1196-0.0000 ( 4765 PWs) bands (ev): -47.9511 -47.9511 -21.8109 -21.8109 -20.4835 -20.4835 -19.9746 -19.9746 -19.8070 -19.8070 -19.7796 -19.7796 -18.8881 -18.8881 -18.8299 -18.8299 -4.7451 -4.7451 -4.6579 -4.6579 -2.9587 -2.9587 -1.8601 -1.8601 -1.2664 -1.2664 -1.0303 -1.0303 -0.9977 -0.9977 -0.0171 -0.0171 0.0790 0.0790 0.1221 0.1221 0.2124 0.2124 0.3484 0.3484 6.9074 6.9074 11.0326 11.0326 11.9420 11.9420 14.0837 14.0837 k = 0.0000 0.1304-0.0000 ( 4763 PWs) bands (ev): -47.9510 -47.9510 -21.8009 -21.8009 -20.4911 -20.4911 -19.9747 -19.9747 -19.8072 -19.8072 -19.7802 -19.7802 -18.8876 -18.8876 -18.8295 -18.8295 -4.7507 -4.7507 -4.6482 -4.6482 -2.9520 -2.9520 -1.8545 -1.8545 -1.2904 -1.2904 -1.0466 -1.0466 -1.0139 -1.0139 -0.0258 -0.0258 0.0586 0.0586 0.1234 0.1234 0.2130 0.2130 0.3635 0.3635 6.9584 6.9584 11.0638 11.0638 11.9711 11.9711 14.0415 14.0415 k = 0.0000 0.1413-0.0000 ( 4763 PWs) bands (ev): -47.9510 -47.9510 -21.7901 -21.7901 -20.4994 -20.4994 -19.9749 -19.9749 -19.8074 -19.8074 -19.7808 -19.7808 -18.8871 -18.8871 -18.8290 -18.8290 -4.7566 -4.7566 -4.6377 -4.6377 -2.9447 -2.9447 -1.8489 -1.8489 -1.3158 -1.3158 -1.0641 -1.0641 -1.0311 -1.0311 -0.0337 -0.0337 0.0371 0.0371 0.1249 0.1249 0.2138 0.2138 0.3780 0.3780 7.0131 7.0131 11.0976 11.0976 12.0022 12.0022 13.9854 13.9854 k = 0.0000 0.1522-0.0000 ( 4775 PWs) bands (ev): -47.9509 -47.9509 -21.7784 -21.7784 -20.5084 -20.5084 -19.9752 -19.9752 -19.8077 -19.8077 -19.7814 -19.7814 -18.8865 -18.8865 -18.8285 -18.8285 -4.7627 -4.7627 -4.6266 -4.6266 -2.9369 -2.9369 -1.8435 -1.8435 -1.3427 -1.3427 -1.0827 -1.0827 -1.0489 -1.0489 -0.0410 -0.0410 0.0150 0.0150 0.1265 0.1265 0.2146 0.2146 0.3918 0.3918 7.0713 7.0713 11.1338 11.1338 12.0353 12.0353 13.9175 13.9175 k = 0.0000 0.1630-0.0000 ( 4775 PWs) bands (ev): -47.9509 -47.9509 -21.7660 -21.7660 -20.5180 -20.5180 -19.9755 -19.9755 -19.8080 -19.8080 -19.7820 -19.7820 -18.8860 -18.8860 -18.8280 -18.8280 -4.7690 -4.7690 -4.6147 -4.6147 -2.9286 -2.9286 -1.8383 -1.8383 -1.3709 -1.3709 -1.1022 -1.1022 -1.0673 -1.0673 -0.0482 -0.0482 -0.0070 -0.0070 0.1282 0.1282 0.2155 0.2155 0.4048 0.4048 7.1330 7.1330 11.1724 11.1724 12.0701 12.0701 13.8402 13.8402 k = 0.0000 0.1739-0.0000 ( 4775 PWs) bands (ev): -47.9509 -47.9509 -21.7528 -21.7528 -20.5283 -20.5283 -19.9757 -19.9757 -19.8084 -19.8084 -19.7826 -19.7826 -18.8854 -18.8854 -18.8275 -18.8275 -4.7754 -4.7754 -4.6022 -4.6022 -2.9197 -2.9197 -1.8336 -1.8336 -1.4002 -1.4002 -1.1228 -1.1228 -1.0860 -1.0860 -0.0568 -0.0568 -0.0275 -0.0275 0.1300 0.1300 0.2165 0.2165 0.4171 0.4171 7.1980 7.1980 11.2134 11.2134 12.1066 12.1066 13.7558 13.7558 k = 0.0000 0.1848-0.0000 ( 4771 PWs) bands (ev): -47.9508 -47.9508 -21.7389 -21.7389 -20.5393 -20.5393 -19.9760 -19.9760 -19.8088 -19.8088 -19.7831 -19.7831 -18.8847 -18.8847 -18.8269 -18.8269 -4.7819 -4.7819 -4.5891 -4.5891 -2.9102 -2.9102 -1.8294 -1.8294 -1.4305 -1.4305 -1.1442 -1.1442 -1.1048 -1.1048 -0.0706 -0.0706 -0.0423 -0.0423 0.1319 0.1319 0.2176 0.2176 0.4286 0.4286 7.2662 7.2662 11.2567 11.2567 12.1443 12.1443 13.6660 13.6660 k = 0.0000 0.1957-0.0000 ( 4779 PWs) bands (ev): -47.9508 -47.9508 -21.7243 -21.7243 -20.5508 -20.5508 -19.9764 -19.9764 -19.8092 -19.8092 -19.7835 -19.7835 -18.8841 -18.8841 -18.8264 -18.8264 -4.7884 -4.7884 -4.5754 -4.5754 -2.9003 -2.9003 -1.8260 -1.8260 -1.4617 -1.4617 -1.1666 -1.1666 -1.1234 -1.1234 -0.0909 -0.0909 -0.0501 -0.0501 0.1338 0.1338 0.2187 0.2187 0.4392 0.4392 7.3373 7.3373 11.3023 11.3023 12.1831 12.1831 13.5720 13.5720 k = 0.0000 0.2065-0.0000 ( 4775 PWs) bands (ev): -47.9507 -47.9507 -21.7089 -21.7089 -20.5630 -20.5630 -19.9767 -19.9767 -19.8097 -19.8097 -19.7840 -19.7840 -18.8834 -18.8834 -18.8258 -18.8258 -4.7950 -4.7950 -4.5613 -4.5613 -2.8898 -2.8898 -1.8235 -1.8235 -1.4937 -1.4937 -1.1898 -1.1898 -1.1416 -1.1416 -0.1141 -0.1141 -0.0543 -0.0543 0.1358 0.1358 0.2198 0.2198 0.4490 0.4490 7.4114 7.4114 11.3500 11.3500 12.2225 12.2225 13.4752 13.4752 k = 0.0000 0.2174-0.0000 ( 4767 PWs) bands (ev): -47.9506 -47.9506 -21.6929 -21.6929 -20.5758 -20.5758 -19.9770 -19.9770 -19.8103 -19.8103 -19.7843 -19.7843 -18.8828 -18.8828 -18.8252 -18.8252 -4.8014 -4.8014 -4.5466 -4.5466 -2.8788 -2.8788 -1.8220 -1.8220 -1.5263 -1.5263 -1.2138 -1.2138 -1.1591 -1.1591 -0.1383 -0.1383 -0.0568 -0.0568 0.1378 0.1378 0.2211 0.2211 0.4579 0.4579 7.4881 7.4881 11.3999 11.3999 12.2618 12.2618 13.3767 13.3767 k = 0.0000 0.2283-0.0000 ( 4763 PWs) bands (ev): -47.9506 -47.9506 -21.6762 -21.6762 -20.5893 -20.5893 -19.9774 -19.9774 -19.8109 -19.8109 -19.7846 -19.7846 -18.8821 -18.8821 -18.8245 -18.8245 -4.8078 -4.8078 -4.5315 -4.5315 -2.8673 -2.8673 -1.8218 -1.8218 -1.5594 -1.5594 -1.2384 -1.2384 -1.1757 -1.1757 -0.1628 -0.1628 -0.0584 -0.0584 0.1399 0.1399 0.2223 0.2223 0.4660 0.4660 7.5675 7.5675 11.4517 11.4517 12.3002 12.3002 13.2778 13.2778 k = 0.0000 0.2391-0.0000 ( 4759 PWs) bands (ev): -47.9505 -47.9505 -21.6589 -21.6589 -20.6033 -20.6033 -19.9778 -19.9778 -19.8115 -19.8115 -19.7848 -19.7848 -18.8814 -18.8814 -18.8239 -18.8239 -4.8141 -4.8141 -4.5161 -4.5161 -2.8553 -2.8553 -1.8230 -1.8230 -1.5929 -1.5929 -1.2635 -1.2635 -1.1911 -1.1911 -0.1873 -0.1873 -0.0591 -0.0591 0.1420 0.1420 0.2235 0.2235 0.4733 0.4733 7.6493 7.6493 11.5055 11.5055 12.3362 12.3362 13.1803 13.1803 k = 0.0000 0.2500-0.0000 ( 4759 PWs) bands (ev): -47.9505 -47.9505 -21.6410 -21.6410 -20.6180 -20.6180 -19.9782 -19.9782 -19.8122 -19.8122 -19.7850 -19.7850 -18.8807 -18.8807 -18.8233 -18.8233 -4.8202 -4.8202 -4.5004 -4.5004 -2.8428 -2.8428 -1.8257 -1.8257 -1.6267 -1.6267 -1.2891 -1.2891 -1.2054 -1.2054 -0.2115 -0.2115 -0.0591 -0.0591 0.1441 0.1441 0.2248 0.2248 0.4797 0.4797 7.7335 7.7335 11.5612 11.5612 12.3673 12.3673 13.0870 13.0870 k = 0.0000 0.2609-0.0000 ( 4755 PWs) bands (ev): -47.9504 -47.9504 -21.6225 -21.6225 -20.6332 -20.6332 -19.9787 -19.9787 -19.8129 -19.8129 -19.7851 -19.7851 -18.8800 -18.8800 -18.8227 -18.8227 -4.8261 -4.8261 -4.4844 -4.4844 -2.8298 -2.8298 -1.8299 -1.8299 -1.6606 -1.6606 -1.3150 -1.3150 -1.2182 -1.2182 -0.2353 -0.2353 -0.0586 -0.0586 0.1462 0.1462 0.2261 0.2261 0.4854 0.4854 7.8200 7.8200 11.6186 11.6186 12.3892 12.3892 13.0023 13.0023 k = 0.0000 0.2717-0.0000 ( 4755 PWs) bands (ev): -47.9504 -47.9504 -21.6035 -21.6035 -20.6490 -20.6490 -19.9791 -19.9791 -19.8136 -19.8136 -19.7852 -19.7852 -18.8793 -18.8793 -18.8220 -18.8220 -4.8318 -4.8318 -4.4683 -4.4683 -2.8164 -2.8164 -1.8358 -1.8358 -1.6946 -1.6946 -1.3411 -1.3411 -1.2294 -1.2294 -0.2587 -0.2587 -0.0575 -0.0575 0.1483 0.1483 0.2274 0.2274 0.4903 0.4903 7.9085 7.9085 11.6777 11.6777 12.3953 12.3953 12.9331 12.9331 k = 0.0000 0.2826-0.0000 ( 4757 PWs) bands (ev): -47.9503 -47.9503 -21.5840 -21.5840 -20.6654 -20.6654 -19.9796 -19.9796 -19.8143 -19.8143 -19.7853 -19.7853 -18.8786 -18.8786 -18.8214 -18.8214 -4.8373 -4.8373 -4.4521 -4.4521 -2.8025 -2.8025 -1.8433 -1.8433 -1.7286 -1.7286 -1.3672 -1.3672 -1.2391 -1.2391 -0.2814 -0.2814 -0.0561 -0.0561 0.1503 0.1503 0.2287 0.2287 0.4944 0.4944 7.9991 7.9991 11.7384 11.7384 12.3771 12.3771 12.8878 12.8878 k = 0.0000 0.2935-0.0000 ( 4761 PWs) bands (ev): -47.9503 -47.9503 -21.5639 -21.5639 -20.6823 -20.6823 -19.9801 -19.9801 -19.8151 -19.8151 -19.7853 -19.7853 -18.8779 -18.8779 -18.8208 -18.8208 -4.8425 -4.8425 -4.4359 -4.4359 -2.7881 -2.7881 -1.8524 -1.8524 -1.7623 -1.7623 -1.3932 -1.3932 -1.2472 -1.2472 -0.3036 -0.3036 -0.0542 -0.0542 0.1524 0.1524 0.2299 0.2299 0.4979 0.4979 8.0916 8.0916 11.8005 11.8005 12.3299 12.3299 12.8712 12.8712 k = 0.0000 0.3043-0.0000 ( 4765 PWs) bands (ev): -47.9502 -47.9502 -21.5435 -21.5435 -20.6997 -20.6997 -19.9806 -19.9806 -19.8159 -19.8159 -19.7853 -19.7853 -18.8773 -18.8773 -18.8202 -18.8202 -4.8475 -4.8475 -4.4197 -4.4197 -2.7733 -2.7733 -1.8632 -1.8632 -1.7957 -1.7957 -1.4190 -1.4190 -1.2538 -1.2538 -0.3249 -0.3249 -0.0520 -0.0520 0.1544 0.1544 0.2312 0.2312 0.5006 0.5006 8.1859 8.1859 11.8639 11.8639 12.2574 12.2574 12.8797 12.8797 k = 0.0000 0.3152-0.0000 ( 4765 PWs) bands (ev): -47.9502 -47.9502 -21.5226 -21.5226 -20.7176 -20.7176 -19.9811 -19.9811 -19.8166 -19.8166 -19.7852 -19.7852 -18.8766 -18.8766 -18.8196 -18.8196 -4.8522 -4.8522 -4.4036 -4.4036 -2.7581 -2.7581 -1.8756 -1.8756 -1.8283 -1.8283 -1.4444 -1.4444 -1.2588 -1.2588 -0.3455 -0.3455 -0.0495 -0.0495 0.1563 0.1563 0.2324 0.2324 0.5028 0.5028 8.2820 8.2820 11.9285 11.9285 12.1673 12.1673 12.9056 12.9056 k = 0.0000 0.3261-0.0000 ( 4761 PWs) bands (ev): -47.9501 -47.9501 -21.5014 -21.5014 -20.7360 -20.7360 -19.9816 -19.9816 -19.8173 -19.8173 -19.7851 -19.7851 -18.8760 -18.8760 -18.8191 -18.8191 -4.8566 -4.8566 -4.3878 -4.3878 -2.7425 -2.7425 -1.8903 -1.8903 -1.8593 -1.8593 -1.4694 -1.4694 -1.2625 -1.2625 -0.3652 -0.3652 -0.0468 -0.0468 0.1582 0.1582 0.2336 0.2336 0.5045 0.5045 8.3796 8.3796 11.9941 11.9941 12.0664 12.0664 12.9422 12.9422 k = 0.0000 0.3370-0.0000 ( 4757 PWs) bands (ev): -47.9501 -47.9501 -21.4798 -21.4798 -20.7548 -20.7548 -19.9821 -19.9821 -19.8180 -19.8180 -19.7850 -19.7850 -18.8754 -18.8754 -18.8185 -18.8185 -4.8606 -4.8606 -4.3723 -4.3723 -2.7264 -2.7264 -1.9097 -1.9097 -1.8859 -1.8859 -1.4937 -1.4937 -1.2650 -1.2650 -0.3839 -0.3839 -0.0439 -0.0439 0.1601 0.1601 0.2348 0.2348 0.5056 0.5056 8.4788 8.4788 11.9587 11.9587 12.0605 12.0605 12.9852 12.9852 k = 0.0000 0.3478-0.0000 ( 4761 PWs) bands (ev): -47.9500 -47.9500 -21.4579 -21.4579 -20.7740 -20.7740 -19.9826 -19.9826 -19.8187 -19.8187 -19.7849 -19.7849 -18.8748 -18.8748 -18.8180 -18.8180 -4.8644 -4.8644 -4.3572 -4.3572 -2.7100 -2.7100 -1.9360 -1.9360 -1.9057 -1.9057 -1.5172 -1.5172 -1.2664 -1.2664 -0.4017 -0.4017 -0.0409 -0.0409 0.1618 0.1618 0.2359 0.2359 0.5063 0.5063 8.5794 8.5794 11.8470 11.8470 12.1274 12.1274 13.0320 13.0320 k = 0.0000 0.3587-0.0000 ( 4771 PWs) bands (ev): -47.9500 -47.9500 -21.4358 -21.4358 -20.7936 -20.7936 -19.9831 -19.9831 -19.8193 -19.8193 -19.7848 -19.7848 -18.8742 -18.8742 -18.8175 -18.8175 -4.8679 -4.8679 -4.3426 -4.3426 -2.6933 -2.6933 -1.9656 -1.9656 -1.9219 -1.9219 -1.5399 -1.5399 -1.2669 -1.2669 -0.4184 -0.4184 -0.0379 -0.0379 0.1634 0.1634 0.2370 0.2370 0.5066 0.5066 8.6813 8.6813 11.7326 11.7326 12.1947 12.1947 13.0809 13.0809 k = 0.0000 0.3696-0.0000 ( 4771 PWs) bands (ev): -47.9500 -47.9500 -21.4136 -21.4136 -20.8135 -20.8135 -19.9836 -19.9836 -19.8199 -19.8199 -19.7847 -19.7847 -18.8737 -18.8737 -18.8170 -18.8170 -4.8711 -4.8711 -4.3285 -4.3285 -2.6763 -2.6763 -1.9958 -1.9958 -1.9369 -1.9369 -1.5615 -1.5615 -1.2666 -1.2666 -0.4341 -0.4341 -0.0348 -0.0348 0.1650 0.1650 0.2380 0.2380 0.5066 0.5066 8.7844 8.7844 11.6166 11.6166 12.2620 12.2620 13.1309 13.1309 k = 0.0000 0.3804-0.0000 ( 4759 PWs) bands (ev): -47.9499 -47.9499 -21.3912 -21.3912 -20.8337 -20.8337 -19.9840 -19.9840 -19.8204 -19.8204 -19.7845 -19.7845 -18.8732 -18.8732 -18.8166 -18.8166 -4.8740 -4.8740 -4.3152 -4.3152 -2.6591 -2.6591 -2.0257 -2.0257 -1.9512 -1.9512 -1.5820 -1.5820 -1.2658 -1.2658 -0.4487 -0.4487 -0.0317 -0.0317 0.1665 0.1665 0.2389 0.2389 0.5063 0.5063 8.8886 8.8886 11.4996 11.4996 12.3289 12.3289 13.1811 13.1811 k = 0.0000 0.3913-0.0000 ( 4755 PWs) bands (ev): -47.9499 -47.9499 -21.3688 -21.3688 -20.8540 -20.8540 -19.9844 -19.9844 -19.8209 -19.8209 -19.7843 -19.7843 -18.8727 -18.8727 -18.8162 -18.8162 -4.8765 -4.8765 -4.3026 -4.3026 -2.6416 -2.6416 -2.0549 -2.0549 -1.9649 -1.9649 -1.6012 -1.6012 -1.2646 -1.2646 -0.4621 -0.4621 -0.0287 -0.0287 0.1679 0.1679 0.2399 0.2399 0.5058 0.5058 8.9937 8.9937 11.3821 11.3821 12.3950 12.3950 13.2307 13.2307 k = 0.0000 0.4022-0.0000 ( 4759 PWs) bands (ev): -47.9498 -47.9498 -21.3465 -21.3465 -20.8744 -20.8744 -19.9848 -19.9848 -19.8214 -19.8214 -19.7842 -19.7842 -18.8723 -18.8723 -18.8158 -18.8158 -4.8788 -4.8788 -4.2909 -4.2909 -2.6241 -2.6241 -2.0833 -2.0833 -1.9778 -1.9778 -1.6190 -1.6190 -1.2631 -1.2631 -0.4744 -0.4744 -0.0258 -0.0258 0.1692 0.1692 0.2407 0.2407 0.5051 0.5051 9.0995 9.0995 11.2647 11.2647 12.4598 12.4598 13.2792 13.2792 k = 0.0000 0.4130-0.0000 ( 4761 PWs) bands (ev): -47.9498 -47.9498 -21.3244 -21.3244 -20.8949 -20.8949 -19.9852 -19.9852 -19.8218 -19.8218 -19.7841 -19.7841 -18.8719 -18.8719 -18.8154 -18.8154 -4.8809 -4.8809 -4.2801 -4.2801 -2.6067 -2.6067 -2.1105 -2.1105 -1.9898 -1.9898 -1.6353 -1.6353 -1.2614 -1.2614 -0.4854 -0.4854 -0.0231 -0.0231 0.1703 0.1703 0.2414 0.2414 0.5043 0.5043 9.2059 9.2059 11.1476 11.1476 12.5225 12.5225 13.3257 13.3257 k = 0.0000 0.4239-0.0000 ( 4763 PWs) bands (ev): -47.9498 -47.9498 -21.3026 -21.3026 -20.9151 -20.9151 -19.9855 -19.9855 -19.8222 -19.8222 -19.7840 -19.7840 -18.8716 -18.8716 -18.8151 -18.8151 -4.8827 -4.8827 -4.2704 -4.2704 -2.5895 -2.5895 -2.1365 -2.1365 -2.0008 -2.0008 -1.6499 -1.6499 -1.2597 -1.2597 -0.4953 -0.4953 -0.0206 -0.0206 0.1713 0.1713 0.2421 0.2421 0.5035 0.5035 9.3124 9.3124 11.0315 11.0315 12.5824 12.5824 13.3697 13.3697 k = 0.0000 0.4348-0.0000 ( 4766 PWs) bands (ev): -47.9498 -47.9498 -21.2814 -21.2814 -20.9349 -20.9349 -19.9858 -19.9858 -19.8226 -19.8226 -19.7839 -19.7839 -18.8712 -18.8712 -18.8148 -18.8148 -4.8842 -4.8842 -4.2618 -4.2618 -2.5728 -2.5728 -2.1608 -2.1608 -2.0106 -2.0106 -1.6628 -1.6628 -1.2580 -1.2580 -0.5038 -0.5038 -0.0183 -0.0183 0.1722 0.1722 0.2427 0.2427 0.5026 0.5026 9.4186 9.4186 10.9168 10.9168 12.6385 12.6385 13.4104 13.4104 k = 0.0000 0.4457-0.0000 ( 4770 PWs) bands (ev): -47.9498 -47.9498 -21.2612 -21.2612 -20.9541 -20.9541 -19.9861 -19.9861 -19.8229 -19.8229 -19.7838 -19.7838 -18.8710 -18.8710 -18.8146 -18.8146 -4.8854 -4.8854 -4.2544 -4.2544 -2.5569 -2.5569 -2.1833 -2.1833 -2.0190 -2.0190 -1.6739 -1.6739 -1.2565 -1.2565 -0.5111 -0.5111 -0.0164 -0.0164 0.1730 0.1730 0.2432 0.2432 0.5018 0.5018 9.5236 9.5236 10.8044 10.8044 12.6896 12.6896 13.4469 13.4469 k = 0.0000 0.4565-0.0000 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.2423 -21.2423 -20.9720 -20.9720 -19.9863 -19.9863 -19.8231 -19.8231 -19.7838 -19.7838 -18.8708 -18.8708 -18.8144 -18.8144 -4.8865 -4.8865 -4.2482 -4.2482 -2.5423 -2.5423 -2.2032 -2.2032 -2.0261 -2.0261 -1.6831 -1.6831 -1.2552 -1.2552 -0.5171 -0.5171 -0.0147 -0.0147 0.1736 0.1736 0.2436 0.2436 0.5011 0.5011 9.6262 9.6262 10.6958 10.6958 12.7344 12.7344 13.4784 13.4784 k = 0.0000 0.4674-0.0000 ( 4778 PWs) bands (ev): -47.9497 -47.9497 -21.2256 -21.2256 -20.9880 -20.9880 -19.9865 -19.9865 -19.8233 -19.8233 -19.7837 -19.7837 -18.8706 -18.8706 -18.8143 -18.8143 -4.8873 -4.8873 -4.2434 -4.2434 -2.5297 -2.5297 -2.2200 -2.2200 -2.0318 -2.0318 -1.6903 -1.6903 -1.2540 -1.2540 -0.5217 -0.5217 -0.0134 -0.0134 0.1741 0.1741 0.2439 0.2439 0.5005 0.5005 9.7237 9.7237 10.5936 10.5936 12.7714 12.7714 13.5041 13.5041 k = 0.0000 0.4783-0.0000 ( 4778 PWs) bands (ev): -47.9497 -47.9497 -21.2120 -21.2120 -21.0011 -21.0011 -19.9866 -19.9866 -19.8234 -19.8234 -19.7837 -19.7837 -18.8705 -18.8705 -18.8142 -18.8142 -4.8878 -4.8878 -4.2399 -4.2399 -2.5197 -2.5197 -2.2330 -2.2330 -2.0358 -2.0358 -1.6955 -1.6955 -1.2532 -1.2532 -0.5251 -0.5251 -0.0124 -0.0124 0.1745 0.1745 0.2442 0.2442 0.5000 0.5000 9.8107 9.8107 10.5031 10.5031 12.7992 12.7992 13.5231 13.5231 k = 0.0000 0.4891-0.0000 ( 4790 PWs) bands (ev): -47.9497 -47.9497 -21.2029 -21.2029 -21.0098 -21.0098 -19.9868 -19.9868 -19.8235 -19.8235 -19.7837 -19.7837 -18.8704 -18.8704 -18.8141 -18.8141 -4.8882 -4.8882 -4.2378 -4.2378 -2.5133 -2.5133 -2.2413 -2.2413 -2.0383 -2.0383 -1.6987 -1.6987 -1.2527 -1.2527 -0.5271 -0.5271 -0.0119 -0.0119 0.1747 0.1747 0.2443 0.2443 0.4997 0.4997 9.8761 9.8761 10.4356 10.4356 12.8165 12.8165 13.5348 13.5348 k = 0.0000 0.5000-0.0000 ( 4786 PWs) bands (ev): -47.9497 -47.9497 -21.1997 -21.1997 -21.0129 -21.0129 -19.9868 -19.9868 -19.8236 -19.8236 -19.7837 -19.7837 -18.8704 -18.8704 -18.8141 -18.8141 -4.8882 -4.8882 -4.2371 -4.2371 -2.5110 -2.5110 -2.2441 -2.2441 -2.0391 -2.0391 -1.6997 -1.6997 -1.2526 -1.2526 -0.5278 -0.5278 -0.0117 -0.0117 0.1748 0.1748 0.2443 0.2443 0.4997 0.4997 9.9018 9.9018 10.4092 10.4092 12.8224 12.8224 13.5388 13.5388 k = 0.0000 0.5000-0.0000 ( 4786 PWs) bands (ev): -47.9497 -47.9497 -21.1997 -21.1997 -21.0129 -21.0129 -19.9868 -19.9868 -19.8236 -19.8236 -19.7837 -19.7837 -18.8704 -18.8704 -18.8141 -18.8141 -4.8882 -4.8882 -4.2371 -4.2371 -2.5110 -2.5110 -2.2441 -2.2441 -2.0391 -2.0391 -1.6997 -1.6997 -1.2526 -1.2526 -0.5278 -0.5278 -0.0117 -0.0117 0.1748 0.1748 0.2443 0.2443 0.4997 0.4997 9.9018 9.9018 10.4092 10.4092 12.8224 12.8224 13.5388 13.5388 k = 0.0109 0.5000-0.0000 ( 4786 PWs) bands (ev): -47.9497 -47.9497 -21.1995 -21.1995 -21.0129 -21.0129 -19.9868 -19.9868 -19.8235 -19.8235 -19.7837 -19.7837 -18.8705 -18.8705 -18.8140 -18.8140 -4.8949 -4.8949 -4.2305 -4.2305 -2.5109 -2.5109 -2.2443 -2.2443 -2.0493 -2.0493 -1.6896 -1.6896 -1.2524 -1.2524 -0.5274 -0.5274 -0.0156 -0.0156 0.1782 0.1782 0.2435 0.2435 0.4997 0.4997 9.9027 9.9027 10.4112 10.4112 12.8220 12.8220 13.5394 13.5394 k = 0.0217 0.5000-0.0000 ( 4774 PWs) bands (ev): -47.9497 -47.9497 -21.1987 -21.1987 -21.0127 -21.0127 -19.9867 -19.9867 -19.8234 -19.8234 -19.7837 -19.7837 -18.8709 -18.8709 -18.8139 -18.8139 -4.9141 -4.9141 -4.2115 -4.2115 -2.5105 -2.5105 -2.2446 -2.2446 -2.0769 -2.0769 -1.6623 -1.6623 -1.2519 -1.2519 -0.5264 -0.5264 -0.0263 -0.0263 0.1876 0.1876 0.2411 0.2411 0.4999 0.4999 9.9053 9.9053 10.4171 10.4171 12.8208 12.8208 13.5413 13.5413 k = 0.0326 0.5000-0.0000 ( 4770 PWs) bands (ev): -47.9497 -47.9497 -21.1975 -21.1975 -21.0125 -21.0125 -19.9866 -19.9866 -19.8233 -19.8233 -19.7838 -19.7838 -18.8715 -18.8715 -18.8137 -18.8137 -4.9438 -4.9438 -4.1821 -4.1821 -2.5099 -2.5099 -2.2453 -2.2453 -2.1161 -2.1161 -1.6238 -1.6238 -1.2511 -1.2511 -0.5246 -0.5246 -0.0424 -0.0424 0.2012 0.2012 0.2373 0.2373 0.5001 0.5001 9.9096 9.9096 10.4270 10.4270 12.8188 12.8188 13.5445 13.5445 k = 0.0435 0.5000-0.0000 ( 4774 PWs) bands (ev): -47.9497 -47.9497 -21.1958 -21.1958 -21.0122 -21.0122 -19.9866 -19.9866 -19.8232 -19.8232 -19.7840 -19.7840 -18.8723 -18.8723 -18.8133 -18.8133 -4.9818 -4.9818 -4.1447 -4.1447 -2.5090 -2.5090 -2.2464 -2.2464 -2.1619 -2.1619 -1.5786 -1.5786 -1.2499 -1.2499 -0.5222 -0.5222 -0.0620 -0.0620 0.2157 0.2157 0.2337 0.2337 0.5004 0.5004 9.9156 9.9156 10.4408 10.4408 12.8159 12.8159 13.5489 13.5489 k = 0.0543 0.5000-0.0000 ( 4778 PWs) bands (ev): -47.9497 -47.9497 -21.1936 -21.1936 -21.0118 -21.0118 -19.9865 -19.9865 -19.8231 -19.8231 -19.7843 -19.7843 -18.8734 -18.8734 -18.8129 -18.8129 -5.0259 -5.0259 -4.1012 -4.1012 -2.5079 -2.5079 -2.2493 -2.2493 -2.2101 -2.2101 -1.5299 -1.5299 -1.2485 -1.2485 -0.5190 -0.5190 -0.0839 -0.0839 0.2190 0.2190 0.2410 0.2410 0.5008 0.5008 9.9234 9.9234 10.4585 10.4585 12.8123 12.8123 13.5546 13.5546 k = 0.0652 0.5000-0.0000 ( 4778 PWs) bands (ev): -47.9497 -47.9497 -21.1909 -21.1909 -21.0113 -21.0113 -19.9864 -19.9864 -19.8229 -19.8229 -19.7846 -19.7846 -18.8746 -18.8746 -18.8124 -18.8124 -5.0743 -5.0743 -4.0535 -4.0535 -2.5066 -2.5066 -2.2716 -2.2716 -2.2415 -2.2415 -1.4791 -1.4791 -1.2467 -1.2467 -0.5152 -0.5152 -0.1073 -0.1073 0.2115 0.2115 0.2584 0.2584 0.5013 0.5013 9.9328 9.9328 10.4801 10.4801 12.8079 12.8079 13.5613 13.5613 k = 0.0761 0.5000-0.0000 ( 4768 PWs) bands (ev): -47.9496 -47.9496 -21.1877 -21.1877 -21.0107 -21.0107 -19.9863 -19.9863 -19.8226 -19.8226 -19.7848 -19.7848 -18.8762 -18.8762 -18.8119 -18.8119 -5.1258 -5.1258 -4.0029 -4.0029 -2.5051 -2.5051 -2.3221 -2.3221 -2.2461 -2.2461 -1.4275 -1.4275 -1.2445 -1.2445 -0.5105 -0.5105 -0.1316 -0.1316 0.2010 0.2010 0.2772 0.2772 0.5019 0.5019 9.9440 9.9440 10.5053 10.5053 12.8027 12.8027 13.5692 13.5692 k = 0.0870 0.5000-0.0000 ( 4764 PWs) bands (ev): -47.9496 -47.9496 -21.1842 -21.1842 -21.0100 -21.0100 -19.9862 -19.9862 -19.8223 -19.8223 -19.7852 -19.7852 -18.8779 -18.8779 -18.8112 -18.8112 -5.1794 -5.1794 -3.9503 -3.9503 -2.5035 -2.5035 -2.3759 -2.3759 -2.2482 -2.2482 -1.3755 -1.3755 -1.2421 -1.2421 -0.5052 -0.5052 -0.1565 -0.1565 0.1889 0.1889 0.2962 0.2962 0.5026 0.5026 9.9569 9.9569 10.5343 10.5343 12.7967 12.7967 13.5780 13.5780 k = 0.0978 0.5000-0.0000 ( 4764 PWs) bands (ev): -47.9496 -47.9496 -21.1801 -21.1801 -21.0093 -21.0093 -19.9861 -19.9861 -19.8220 -19.8220 -19.7856 -19.7856 -18.8799 -18.8799 -18.8104 -18.8104 -5.2345 -5.2345 -3.8963 -3.8963 -2.5019 -2.5019 -2.4301 -2.4301 -2.2502 -2.2502 -1.3238 -1.3238 -1.2392 -1.2392 -0.4991 -0.4991 -0.1816 -0.1816 0.1752 0.1752 0.3150 0.3150 0.5033 0.5033 9.9714 9.9714 10.5668 10.5668 12.7899 12.7899 13.5878 13.5878 k = 0.1087 0.5000-0.0000 ( 4760 PWs) bands (ev): -47.9495 -47.9495 -21.1757 -21.1757 -21.0084 -21.0084 -19.9859 -19.9859 -19.8217 -19.8217 -19.7860 -19.7860 -18.8820 -18.8820 -18.8096 -18.8096 -5.2904 -5.2904 -3.8416 -3.8416 -2.5035 -2.5035 -2.4813 -2.4813 -2.2522 -2.2522 -1.2729 -1.2729 -1.2357 -1.2357 -0.4921 -0.4921 -0.2067 -0.2067 0.1600 0.1600 0.3332 0.3332 0.5042 0.5042 9.9877 9.9877 10.6029 10.6029 12.7824 12.7824 13.5983 13.5983 k = 0.1196 0.5000-0.0000 ( 4764 PWs) bands (ev): -47.9495 -47.9495 -21.1709 -21.1709 -21.0076 -21.0076 -19.9858 -19.9858 -19.8213 -19.8213 -19.7865 -19.7865 -18.8844 -18.8844 -18.8087 -18.8087 -5.3469 -5.3469 -3.7865 -3.7865 -2.5429 -2.5429 -2.4942 -2.4942 -2.2545 -2.2545 -1.2358 -1.2358 -1.2189 -1.2189 -0.4844 -0.4844 -0.2317 -0.2317 0.1435 0.1435 0.3508 0.3508 0.5051 0.5051 10.0057 10.0057 10.6424 10.6424 12.7741 12.7741 13.6094 13.6094 k = 0.1304 0.5000-0.0000 ( 4760 PWs) bands (ev): -47.9495 -47.9495 -21.1656 -21.1656 -21.0066 -21.0066 -19.9856 -19.9856 -19.8209 -19.8209 -19.7870 -19.7870 -18.8870 -18.8870 -18.8078 -18.8078 -5.4034 -5.4034 -3.7314 -3.7314 -2.5963 -2.5963 -2.4925 -2.4925 -2.2569 -2.2569 -1.2304 -1.2304 -1.1711 -1.1711 -0.4759 -0.4759 -0.2565 -0.2565 0.1258 0.1258 0.3676 0.3676 0.5061 0.5061 10.0253 10.0253 10.6851 10.6851 12.7652 12.7652 13.6210 13.6210 k = 0.1413 0.5000-0.0000 ( 4750 PWs) bands (ev): -47.9494 -47.9494 -21.1601 -21.1601 -21.0056 -21.0056 -19.9854 -19.9854 -19.8204 -19.8204 -19.7875 -19.7875 -18.8897 -18.8897 -18.8068 -18.8068 -5.4599 -5.4599 -3.6764 -3.6764 -2.6499 -2.6499 -2.4900 -2.4900 -2.2596 -2.2596 -1.2263 -1.2263 -1.1228 -1.1228 -0.4665 -0.4665 -0.2808 -0.2808 0.1070 0.1070 0.3837 0.3837 0.5073 0.5073 10.0467 10.0467 10.7310 10.7310 12.7555 12.7555 13.6329 13.6329 k = 0.1522 0.5000-0.0000 ( 4754 PWs) bands (ev): -47.9494 -47.9494 -21.1541 -21.1541 -21.0045 -21.0045 -19.9853 -19.9853 -19.8200 -19.8200 -19.7881 -19.7881 -18.8927 -18.8927 -18.8057 -18.8057 -5.5161 -5.5161 -3.6219 -3.6219 -2.7031 -2.7031 -2.4871 -2.4871 -2.2625 -2.2625 -1.2221 -1.2221 -1.0757 -1.0757 -0.4562 -0.4562 -0.3046 -0.3046 0.0872 0.0872 0.3989 0.3989 0.5084 0.5084 10.0697 10.0697 10.7799 10.7799 12.7452 12.7452 13.6448 13.6448 k = 0.1630 0.5000-0.0000 ( 4762 PWs) bands (ev): -47.9493 -47.9493 -21.1479 -21.1479 -21.0033 -21.0033 -19.9851 -19.9851 -19.8195 -19.8195 -19.7887 -19.7887 -18.8958 -18.8958 -18.8045 -18.8045 -5.5718 -5.5718 -3.5679 -3.5679 -2.7555 -2.7555 -2.4840 -2.4840 -2.2657 -2.2657 -1.2177 -1.2177 -1.0301 -1.0301 -0.4451 -0.4451 -0.3277 -0.3277 0.0663 0.0663 0.4131 0.4131 0.5097 0.5097 10.0944 10.0944 10.8317 10.8317 12.7342 12.7342 13.6565 13.6565 k = 0.1739 0.5000-0.0000 ( 4762 PWs) bands (ev): -47.9493 -47.9493 -21.1414 -21.1414 -21.0021 -21.0021 -19.9849 -19.9849 -19.8190 -19.8190 -19.7893 -19.7893 -18.8990 -18.8990 -18.8034 -18.8034 -5.6269 -5.6269 -3.5147 -3.5147 -2.8071 -2.8071 -2.4808 -2.4808 -2.2692 -2.2692 -1.2131 -1.2131 -0.9862 -0.9862 -0.4330 -0.4330 -0.3500 -0.3500 0.0447 0.0447 0.4264 0.4264 0.5112 0.5112 10.1207 10.1207 10.8863 10.8863 12.7227 12.7227 13.6676 13.6676 k = 0.1848 0.5000-0.0000 ( 4748 PWs) bands (ev): -47.9492 -47.9492 -21.1346 -21.1346 -21.0009 -21.0009 -19.9847 -19.9847 -19.8184 -19.8184 -19.7899 -19.7899 -18.9025 -18.9025 -18.8021 -18.8021 -5.6811 -5.6811 -3.4622 -3.4622 -2.8578 -2.8578 -2.4774 -2.4774 -2.2729 -2.2729 -1.2082 -1.2082 -0.9441 -0.9441 -0.4205 -0.4205 -0.3710 -0.3710 0.0223 0.0223 0.4387 0.4387 0.5127 0.5127 10.1487 10.1487 10.9434 10.9434 12.7105 12.7105 13.6777 13.6777 k = 0.1957 0.5000-0.0000 ( 4746 PWs) bands (ev): -47.9492 -47.9492 -21.1276 -21.1276 -20.9996 -20.9996 -19.9845 -19.9845 -19.8178 -19.8178 -19.7905 -19.7905 -18.9060 -18.9060 -18.8009 -18.8009 -5.7345 -5.7345 -3.4108 -3.4108 -2.9074 -2.9074 -2.4739 -2.4739 -2.2769 -2.2769 -1.2031 -1.2031 -0.9040 -0.9040 -0.4103 -0.4103 -0.3877 -0.3877 -0.0007 -0.0007 0.4500 0.4500 0.5144 0.5144 10.1783 10.1783 11.0030 11.0030 12.6979 12.6979 13.6863 13.6863 k = 0.2065 0.5000-0.0000 ( 4750 PWs) bands (ev): -47.9491 -47.9491 -21.1204 -21.1204 -20.9983 -20.9983 -19.9844 -19.9844 -19.8173 -19.8173 -19.7912 -19.7912 -18.9097 -18.9097 -18.7996 -18.7996 -5.7869 -5.7869 -3.3604 -3.3604 -2.9560 -2.9560 -2.4704 -2.4704 -2.2812 -2.2812 -1.1979 -1.1979 -0.8661 -0.8661 -0.4180 -0.4180 -0.3845 -0.3845 -0.0242 -0.0242 0.4603 0.4603 0.5162 0.5162 10.2096 10.2096 11.0648 11.0648 12.6848 12.6848 13.6930 13.6930 k = 0.2174 0.5000-0.0000 ( 4758 PWs) bands (ev): -47.9491 -47.9491 -21.1130 -21.1130 -20.9970 -20.9970 -19.9842 -19.9842 -19.8167 -19.8167 -19.7918 -19.7918 -18.9135 -18.9135 -18.7982 -18.7982 -5.8382 -5.8382 -3.3113 -3.3113 -3.0032 -3.0032 -2.4667 -2.4667 -2.2857 -2.2857 -1.1924 -1.1924 -0.8304 -0.8304 -0.4355 -0.4355 -0.3695 -0.3695 -0.0482 -0.0482 0.4695 0.4695 0.5181 0.5181 10.2424 10.2424 11.1287 11.1287 12.6712 12.6712 13.6971 13.6971 k = 0.2283 0.5000-0.0000 ( 4754 PWs) bands (ev): -47.9490 -47.9490 -21.1054 -21.1054 -20.9956 -20.9956 -19.9840 -19.9840 -19.8161 -19.8161 -19.7925 -19.7925 -18.9174 -18.9174 -18.7969 -18.7969 -5.8882 -5.8882 -3.2636 -3.2636 -3.0490 -3.0490 -2.4630 -2.4630 -2.2905 -2.2905 -1.1868 -1.1868 -0.7970 -0.7970 -0.4533 -0.4533 -0.3520 -0.3520 -0.0724 -0.0724 0.4777 0.4777 0.5203 0.5203 10.2768 10.2768 11.1944 11.1944 12.6573 12.6573 13.6979 13.6979 k = 0.2391 0.5000-0.0000 ( 4754 PWs) bands (ev): -47.9490 -47.9490 -21.0978 -21.0978 -20.9943 -20.9943 -19.9839 -19.9839 -19.8154 -19.8154 -19.7931 -19.7931 -18.9213 -18.9213 -18.7956 -18.7956 -5.9370 -5.9370 -3.2177 -3.2177 -3.0929 -3.0929 -2.4592 -2.4592 -2.2955 -2.2955 -1.1810 -1.1810 -0.7661 -0.7661 -0.4704 -0.4704 -0.3332 -0.3332 -0.0969 -0.0969 0.4848 0.4848 0.5227 0.5227 10.3128 10.3128 11.2618 11.2618 12.6430 12.6430 13.6945 13.6945 k = 0.2500 0.5000-0.0000 ( 4758 PWs) bands (ev): -47.9489 -47.9489 -21.0901 -21.0901 -20.9929 -20.9929 -19.9837 -19.9837 -19.8148 -19.8148 -19.7938 -19.7938 -18.9254 -18.9254 -18.7942 -18.7942 -5.9843 -5.9843 -3.1774 -3.1774 -3.1314 -3.1314 -2.4554 -2.4554 -2.3008 -2.3008 -1.1751 -1.1751 -0.7375 -0.7375 -0.4866 -0.4866 -0.3132 -0.3132 -0.1214 -0.1214 0.4909 0.4909 0.5252 0.5252 10.3503 10.3503 11.3306 11.3306 12.6285 12.6285 13.6861 13.6861 k = 0.2609 0.5000-0.0000 ( 4770 PWs) bands (ev): -47.9489 -47.9489 -21.0823 -21.0823 -20.9915 -20.9915 -19.9836 -19.9836 -19.8142 -19.8142 -19.7945 -19.7945 -18.9294 -18.9294 -18.7928 -18.7928 -6.0303 -6.0303 -3.1859 -3.1859 -3.1210 -3.1210 -2.4516 -2.4516 -2.3062 -2.3062 -1.1692 -1.1692 -0.7113 -0.7113 -0.5018 -0.5018 -0.2923 -0.2923 -0.1460 -0.1460 0.4960 0.4960 0.5279 0.5279 10.3892 10.3892 11.4007 11.4007 12.6138 12.6138 13.6718 13.6718 k = 0.2717 0.5000-0.0000 ( 4762 PWs) bands (ev): -47.9488 -47.9488 -21.0746 -21.0746 -20.9902 -20.9902 -19.9834 -19.9834 -19.8135 -19.8135 -19.7951 -19.7951 -18.9335 -18.9335 -18.7915 -18.7915 -6.0747 -6.0747 -3.2238 -3.2238 -3.0812 -3.0812 -2.4478 -2.4478 -2.3118 -2.3118 -1.1631 -1.1631 -0.6874 -0.6874 -0.5160 -0.5160 -0.2708 -0.2708 -0.1702 -0.1702 0.5003 0.5003 0.5307 0.5307 10.4296 10.4296 11.4717 11.4717 12.5990 12.5990 13.6508 13.6508 k = 0.2826 0.5000-0.0000 ( 4762 PWs) bands (ev): -47.9488 -47.9488 -21.0669 -21.0669 -20.9888 -20.9888 -19.9833 -19.9833 -19.8128 -19.8128 -19.7957 -19.7957 -18.9376 -18.9376 -18.7901 -18.7901 -6.1175 -6.1175 -3.2622 -3.2622 -3.0410 -3.0410 -2.4441 -2.4441 -2.3175 -2.3175 -1.1570 -1.1570 -0.6657 -0.6657 -0.5290 -0.5290 -0.2490 -0.2490 -0.1941 -0.1941 0.5038 0.5038 0.5335 0.5335 10.4715 10.4715 11.5435 11.5435 12.5842 12.5842 13.6225 13.6225 k = 0.2935 0.5000-0.0000 ( 4760 PWs) bands (ev): -47.9487 -47.9487 -21.0593 -21.0593 -20.9875 -20.9875 -19.9831 -19.9831 -19.8122 -19.8122 -19.7963 -19.7963 -18.9417 -18.9417 -18.7888 -18.7888 -6.1586 -6.1586 -3.2994 -3.2994 -3.0019 -3.0019 -2.4404 -2.4404 -2.3233 -2.3233 -1.1508 -1.1508 -0.6462 -0.6462 -0.5409 -0.5409 -0.2297 -0.2297 -0.2147 -0.2147 0.5067 0.5067 0.5362 0.5362 10.5147 10.5147 11.6157 11.6157 12.5693 12.5693 13.5865 13.5865 k = 0.3043 0.5000-0.0000 ( 4760 PWs) bands (ev): -47.9487 -47.9487 -21.0517 -21.0517 -20.9862 -20.9862 -19.9830 -19.9830 -19.8115 -19.8115 -19.7968 -19.7968 -18.9458 -18.9458 -18.7875 -18.7875 -6.1980 -6.1980 -3.3351 -3.3351 -2.9644 -2.9644 -2.4367 -2.4367 -2.3292 -2.3292 -1.1446 -1.1446 -0.6289 -0.6289 -0.5514 -0.5514 -0.2433 -0.2433 -0.2019 -0.2019 0.5091 0.5091 0.5387 0.5387 10.5591 10.5591 11.6881 11.6881 12.5546 12.5546 13.5428 13.5428 k = 0.3152 0.5000-0.0000 ( 4752 PWs) bands (ev): -47.9486 -47.9486 -21.0444 -21.0444 -20.9849 -20.9849 -19.9829 -19.9829 -19.8108 -19.8108 -19.7973 -19.7973 -18.9498 -18.9498 -18.7862 -18.7862 -6.2355 -6.2355 -3.3692 -3.3692 -2.9286 -2.9286 -2.4331 -2.4331 -2.3351 -2.3351 -1.1385 -1.1385 -0.6142 -0.6142 -0.5600 -0.5600 -0.2656 -0.2656 -0.1799 -0.1799 0.5112 0.5112 0.5410 0.5410 10.6048 10.6048 11.7602 11.7602 12.5401 12.5401 13.4918 13.4918 k = 0.3261 0.5000-0.0000 ( 4748 PWs) bands (ev): -47.9486 -47.9486 -21.0372 -21.0372 -20.9836 -20.9836 -19.9827 -19.9827 -19.8102 -19.8102 -19.7978 -19.7978 -18.9537 -18.9537 -18.7850 -18.7850 -6.2713 -6.2713 -3.4016 -3.4016 -2.8944 -2.8944 -2.4297 -2.4297 -2.3410 -2.3410 -1.1324 -1.1324 -0.6032 -0.6032 -0.5656 -0.5656 -0.2877 -0.2877 -0.1580 -0.1580 0.5129 0.5129 0.5430 0.5430 10.6516 10.6516 11.8319 11.8319 12.5258 12.5258 13.4343 13.4343 k = 0.3370 0.5000-0.0000 ( 4748 PWs) bands (ev): -47.9485 -47.9485 -21.0302 -21.0302 -20.9824 -20.9824 -19.9826 -19.9826 -19.8096 -19.8096 -19.7983 -19.7983 -18.9575 -18.9575 -18.7838 -18.7838 -6.3052 -6.3052 -3.4323 -3.4323 -2.8621 -2.8621 -2.4264 -2.4264 -2.3468 -2.3468 -1.1265 -1.1265 -0.5986 -0.5986 -0.5653 -0.5653 -0.3091 -0.3091 -0.1364 -0.1364 0.5144 0.5144 0.5447 0.5447 10.6993 10.6993 11.9027 11.9027 12.5119 12.5119 13.3713 13.3713 k = 0.3478 0.5000-0.0000 ( 4744 PWs) bands (ev): -47.9485 -47.9485 -21.0235 -21.0235 -20.9813 -20.9813 -19.9825 -19.9825 -19.8090 -19.8090 -19.7987 -19.7987 -18.9612 -18.9612 -18.7827 -18.7827 -6.3371 -6.3371 -3.4612 -3.4612 -2.8316 -2.8316 -2.4231 -2.4231 -2.3525 -2.3525 -1.1206 -1.1206 -0.6003 -0.6003 -0.5591 -0.5591 -0.3298 -0.3298 -0.1156 -0.1156 0.5157 0.5157 0.5462 0.5462 10.7479 10.7479 11.9722 11.9722 12.4984 12.4984 13.3039 13.3039 k = 0.3587 0.5000-0.0000 ( 4744 PWs) bands (ev): -47.9484 -47.9484 -21.0170 -21.0170 -20.9802 -20.9802 -19.9825 -19.9825 -19.8085 -19.8085 -19.7991 -19.7991 -18.9648 -18.9648 -18.7816 -18.7816 -6.3670 -6.3670 -3.4882 -3.4882 -2.8029 -2.8029 -2.4201 -2.4201 -2.3580 -2.3580 -1.1149 -1.1149 -0.6047 -0.6047 -0.5506 -0.5506 -0.3495 -0.3495 -0.0956 -0.0956 0.5167 0.5167 0.5473 0.5473 10.7971 10.7971 12.0400 12.0400 12.4855 12.4855 13.2333 13.2333 k = 0.3696 0.5000-0.0000 ( 4736 PWs) bands (ev): -47.9484 -47.9484 -21.0109 -21.0109 -20.9791 -20.9791 -19.9824 -19.9824 -19.8080 -19.8080 -19.7995 -19.7995 -18.9682 -18.9682 -18.7805 -18.7805 -6.3949 -6.3949 -3.5134 -3.5134 -2.7762 -2.7762 -2.4172 -2.4172 -2.3633 -2.3633 -1.1094 -1.1094 -0.6097 -0.6097 -0.5418 -0.5418 -0.3681 -0.3681 -0.0766 -0.0766 0.5176 0.5176 0.5483 0.5483 10.8468 10.8468 12.1056 12.1056 12.4731 12.4731 13.1608 13.1608 k = 0.3804 0.5000-0.0000 ( 4748 PWs) bands (ev): -47.9484 -47.9484 -21.0052 -21.0052 -20.9781 -20.9781 -19.9823 -19.9823 -19.8075 -19.8075 -19.7998 -19.7998 -18.9714 -18.9714 -18.7796 -18.7796 -6.4207 -6.4207 -3.5367 -3.5367 -2.7516 -2.7516 -2.4145 -2.4145 -2.3684 -2.3684 -1.1042 -1.1042 -0.6147 -0.6147 -0.5336 -0.5336 -0.3856 -0.3856 -0.0588 -0.0588 0.5184 0.5184 0.5490 0.5490 10.8966 10.8966 12.1686 12.1686 12.4614 12.4614 13.0874 13.0874 k = 0.3913 0.5000-0.0000 ( 4744 PWs) bands (ev): -47.9483 -47.9483 -20.9998 -20.9998 -20.9772 -20.9772 -19.9823 -19.9823 -19.8071 -19.8071 -19.8001 -19.8001 -18.9744 -18.9744 -18.7787 -18.7787 -6.4444 -6.4444 -3.5581 -3.5581 -2.7289 -2.7289 -2.4120 -2.4120 -2.3732 -2.3732 -1.0993 -1.0993 -0.6192 -0.6192 -0.5260 -0.5260 -0.4018 -0.4018 -0.0423 -0.0423 0.5190 0.5190 0.5496 0.5496 10.9463 10.9463 12.2285 12.2285 12.4505 12.4505 13.0143 13.0143 k = 0.4022 0.5000-0.0000 ( 4736 PWs) bands (ev): -47.9483 -47.9483 -20.9949 -20.9949 -20.9764 -20.9764 -19.9822 -19.9822 -19.8067 -19.8067 -19.8002 -19.8002 -18.9772 -18.9772 -18.7778 -18.7778 -6.4659 -6.4659 -3.5775 -3.5775 -2.7082 -2.7082 -2.4097 -2.4097 -2.3776 -2.3776 -1.0946 -1.0946 -0.6232 -0.6232 -0.5193 -0.5193 -0.4167 -0.4167 -0.0270 -0.0270 0.5195 0.5195 0.5500 0.5500 10.9953 10.9953 12.2847 12.2847 12.4403 12.4403 12.9426 12.9426 k = 0.4130 0.5000-0.0000 ( 4732 PWs) bands (ev): -47.9483 -47.9483 -20.9904 -20.9904 -20.9756 -20.9756 -19.9821 -19.9821 -19.8064 -19.8064 -19.8004 -19.8004 -18.9798 -18.9798 -18.7771 -18.7771 -6.4852 -6.4852 -3.5949 -3.5949 -2.6897 -2.6897 -2.4077 -2.4077 -2.3816 -2.3816 -1.0903 -1.0903 -0.6267 -0.6267 -0.5135 -0.5135 -0.4301 -0.4301 -0.0132 -0.0132 0.5199 0.5199 0.5504 0.5504 11.0432 11.0432 12.3367 12.3367 12.4311 12.4311 12.8732 12.8732 k = 0.4239 0.5000-0.0000 ( 4730 PWs) bands (ev): -47.9482 -47.9482 -20.9864 -20.9864 -20.9749 -20.9749 -19.9821 -19.9821 -19.8062 -19.8062 -19.8004 -19.8004 -18.9821 -18.9821 -18.7764 -18.7764 -6.5024 -6.5024 -3.6104 -3.6104 -2.6732 -2.6732 -2.4060 -2.4060 -2.3851 -2.3851 -1.0864 -1.0864 -0.6298 -0.6298 -0.5087 -0.5087 -0.4418 -0.4418 -0.0009 -0.0009 0.5202 0.5202 0.5506 0.5506 11.0893 11.0893 12.3839 12.3839 12.4230 12.4230 12.8074 12.8074 k = 0.4348 0.5000-0.0000 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -20.9829 -20.9829 -20.9743 -20.9743 -19.9820 -19.9820 -19.8060 -19.8060 -19.8005 -19.8005 -18.9841 -18.9841 -18.7758 -18.7758 -6.5173 -6.5173 -3.6238 -3.6238 -2.6589 -2.6589 -2.4045 -2.4045 -2.3882 -2.3882 -1.0830 -1.0830 -0.6324 -0.6324 -0.5050 -0.5050 -0.4517 -0.4517 0.0099 0.0099 0.5204 0.5204 0.5508 0.5508 11.1328 11.1328 12.4142 12.4142 12.4276 12.4276 12.7461 12.7461 k = 0.4457 0.5000-0.0000 ( 4730 PWs) bands (ev): -47.9482 -47.9482 -20.9799 -20.9799 -20.9737 -20.9737 -19.9820 -19.9820 -19.8059 -19.8059 -19.8005 -19.8005 -18.9859 -18.9859 -18.7753 -18.7753 -6.5299 -6.5299 -3.6352 -3.6352 -2.6468 -2.6468 -2.4035 -2.4035 -2.3907 -2.3907 -1.0800 -1.0800 -0.6345 -0.6345 -0.5024 -0.5024 -0.4596 -0.4596 0.0191 0.0191 0.5205 0.5205 0.5509 0.5509 11.1727 11.1727 12.4087 12.4087 12.4633 12.4633 12.6908 12.6908 k = 0.4565 0.5000-0.0000 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9775 -20.9775 -20.9732 -20.9732 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9873 -18.9873 -18.7749 -18.7749 -6.5403 -6.5403 -3.6445 -3.6445 -2.6369 -2.6369 -2.4028 -2.4028 -2.3925 -2.3925 -1.0775 -1.0775 -0.6362 -0.6362 -0.5010 -0.5010 -0.4654 -0.4654 0.0266 0.0266 0.5206 0.5206 0.5510 0.5510 11.2079 11.2079 12.4036 12.4036 12.4937 12.4937 12.6427 12.6427 k = 0.4674 0.5000-0.0000 ( 4740 PWs) bands (ev): -47.9482 -47.9482 -20.9757 -20.9757 -20.9728 -20.9728 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9884 -18.9884 -18.7746 -18.7746 -6.5484 -6.5484 -3.6518 -3.6518 -2.6291 -2.6291 -2.4026 -2.4026 -2.3936 -2.3936 -1.0755 -1.0755 -0.6376 -0.6376 -0.5008 -0.5008 -0.4692 -0.4692 0.0326 0.0326 0.5206 0.5206 0.5510 0.5510 11.2372 11.2372 12.3996 12.3996 12.5178 12.5178 12.6032 12.6032 k = 0.4783 0.5000-0.0000 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -20.9745 -20.9745 -20.9723 -20.9723 -19.9820 -19.9820 -19.8057 -19.8057 -19.8005 -19.8005 -18.9893 -18.9893 -18.7743 -18.7743 -6.5542 -6.5542 -3.6570 -3.6570 -2.6235 -2.6235 -2.4027 -2.4027 -2.3942 -2.3942 -1.0740 -1.0740 -0.6385 -0.6385 -0.5012 -0.5012 -0.4713 -0.4713 0.0369 0.0369 0.5207 0.5207 0.5511 0.5511 11.2593 11.2593 12.3966 12.3966 12.5353 12.5353 12.5738 12.5738 k = 0.4891 0.5000-0.0000 ( 4724 PWs) bands (ev): -47.9481 -47.9481 -20.9739 -20.9739 -20.9719 -20.9719 -19.9819 -19.9819 -19.8057 -19.8057 -19.8005 -19.8005 -18.9897 -18.9897 -18.7742 -18.7742 -6.5576 -6.5576 -3.6601 -3.6601 -2.6202 -2.6202 -2.4028 -2.4028 -2.3945 -2.3945 -1.0732 -1.0732 -0.6391 -0.6391 -0.5018 -0.5018 -0.4722 -0.4722 0.0394 0.0394 0.5207 0.5207 0.5511 0.5511 11.2731 11.2731 12.3949 12.3949 12.5458 12.5458 12.5555 12.5555 k = 0.5000 0.5000-0.0000 ( 4712 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8056 -19.8056 -19.8005 -19.8005 -18.9899 -18.9899 -18.7741 -18.7741 -6.5587 -6.5587 -3.6611 -3.6611 -2.6190 -2.6190 -2.4029 -2.4029 -2.3946 -2.3946 -1.0729 -1.0729 -0.6393 -0.6393 -0.5021 -0.5021 -0.4725 -0.4725 0.0403 0.0403 0.5208 0.5208 0.5512 0.5512 11.2778 11.2778 12.3943 12.3943 12.5492 12.5492 12.5495 12.5495 k = 0.5000 0.5000-0.0000 ( 4712 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8056 -19.8056 -19.8005 -19.8005 -18.9899 -18.9899 -18.7741 -18.7741 -6.5587 -6.5587 -3.6611 -3.6611 -2.6190 -2.6190 -2.4029 -2.4029 -2.3946 -2.3946 -1.0729 -1.0729 -0.6393 -0.6393 -0.5021 -0.5021 -0.4725 -0.4725 0.0403 0.0403 0.5208 0.5208 0.5512 0.5512 11.2778 11.2778 12.3943 12.3943 12.5492 12.5492 12.5495 12.5495 k = 0.4922 0.4922-0.0000 ( 4726 PWs) bands (ev): -47.9481 -47.9481 -20.9740 -20.9740 -20.9718 -20.9718 -19.9819 -19.9819 -19.8057 -19.8057 -19.8005 -19.8005 -18.9897 -18.9897 -18.7742 -18.7742 -6.5576 -6.5576 -3.6601 -3.6601 -2.6202 -2.6202 -2.4028 -2.4028 -2.3945 -2.3945 -1.0732 -1.0732 -0.6391 -0.6391 -0.5018 -0.5018 -0.4722 -0.4722 0.0394 0.0394 0.5207 0.5207 0.5511 0.5511 11.2729 11.2729 12.3949 12.3949 12.5500 12.5500 12.5514 12.5514 k = 0.4844 0.4844-0.0000 ( 4738 PWs) bands (ev): -47.9482 -47.9482 -20.9755 -20.9755 -20.9713 -20.9713 -19.9820 -19.9820 -19.8057 -19.8057 -19.8005 -19.8005 -18.9892 -18.9892 -18.7743 -18.7743 -6.5540 -6.5540 -3.6568 -3.6568 -2.6237 -2.6237 -2.4030 -2.4030 -2.3939 -2.3939 -1.0741 -1.0741 -0.6385 -0.6385 -0.5010 -0.5010 -0.4714 -0.4714 0.0367 0.0367 0.5207 0.5207 0.5511 0.5511 11.2584 11.2584 12.3967 12.3967 12.5521 12.5521 12.5576 12.5576 k = 0.4766 0.4766-0.0000 ( 4738 PWs) bands (ev): -47.9482 -47.9482 -20.9786 -20.9786 -20.9699 -20.9699 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9884 -18.9884 -18.7746 -18.7746 -6.5481 -6.5481 -3.6515 -3.6515 -2.6294 -2.6294 -2.4041 -2.4041 -2.3920 -2.3920 -1.0756 -1.0756 -0.6375 -0.6375 -0.4997 -0.4997 -0.4701 -0.4701 0.0324 0.0324 0.5207 0.5207 0.5511 0.5511 11.2345 11.2345 12.3997 12.3997 12.5554 12.5554 12.5679 12.5679 k = 0.4688 0.4687-0.0000 ( 4734 PWs) bands (ev): -47.9482 -47.9482 -20.9829 -20.9829 -20.9679 -20.9679 -19.9820 -19.9820 -19.8058 -19.8058 -19.8006 -19.8006 -18.9872 -18.9872 -18.7749 -18.7749 -6.5397 -6.5397 -3.6439 -3.6439 -2.6375 -2.6375 -2.4065 -2.4065 -2.3887 -2.3887 -1.0777 -1.0777 -0.6362 -0.6362 -0.4979 -0.4979 -0.4683 -0.4683 0.0264 0.0264 0.5206 0.5206 0.5510 0.5510 11.2016 11.2016 12.4037 12.4037 12.5602 12.5602 12.5821 12.5821 k = 0.4609 0.4609-0.0000 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -20.9886 -20.9886 -20.9653 -20.9653 -19.9820 -19.9820 -19.8058 -19.8058 -19.8006 -19.8006 -18.9858 -18.9858 -18.7753 -18.7753 -6.5291 -6.5291 -3.6343 -3.6343 -2.6478 -2.6478 -2.4100 -2.4100 -2.3839 -2.3839 -1.0804 -1.0804 -0.6345 -0.6345 -0.4955 -0.4955 -0.4659 -0.4659 0.0187 0.0187 0.5205 0.5205 0.5510 0.5510 11.1601 11.1601 12.4088 12.4088 12.5663 12.5663 12.6001 12.6001 k = 0.4531 0.4531-0.0000 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -20.9955 -20.9955 -20.9621 -20.9621 -19.9820 -19.9820 -19.8059 -19.8059 -19.8006 -19.8006 -18.9840 -18.9840 -18.7759 -18.7759 -6.5161 -6.5161 -3.6224 -3.6224 -2.6603 -2.6603 -2.4144 -2.4144 -2.3779 -2.3779 -1.0836 -1.0836 -0.6324 -0.6324 -0.4927 -0.4927 -0.4630 -0.4630 0.0096 0.0096 0.5203 0.5203 0.5510 0.5510 11.1108 11.1108 12.4146 12.4146 12.5737 12.5737 12.6218 12.6218 k = 0.4453 0.4453-0.0000 ( 4730 PWs) bands (ev): -47.9482 -47.9482 -21.0035 -21.0035 -20.9583 -20.9583 -19.9820 -19.9820 -19.8060 -19.8060 -19.8007 -19.8007 -18.9819 -18.9819 -18.7765 -18.7765 -6.5009 -6.5009 -3.6085 -3.6085 -2.6752 -2.6752 -2.4197 -2.4197 -2.3706 -2.3706 -1.0874 -1.0874 -0.6299 -0.6299 -0.4895 -0.4895 -0.4597 -0.4597 -0.0010 -0.0010 0.5199 0.5199 0.5511 0.5511 11.0540 11.0540 12.4211 12.4211 12.5825 12.5825 12.6470 12.6470 k = 0.4375 0.4375-0.0000 ( 4730 PWs) bands (ev): -47.9483 -47.9483 -21.0127 -21.0127 -20.9539 -20.9539 -19.9821 -19.9821 -19.8061 -19.8061 -19.8007 -19.8007 -18.9796 -18.9796 -18.7772 -18.7772 -6.4835 -6.4835 -3.5923 -3.5923 -2.6923 -2.6923 -2.4258 -2.4258 -2.3623 -2.3623 -1.0918 -1.0918 -0.6270 -0.6270 -0.4858 -0.4858 -0.4559 -0.4559 -0.0128 -0.0128 0.5195 0.5195 0.5512 0.5512 10.9906 10.9906 12.4280 12.4280 12.5927 12.5927 12.6756 12.6756 k = 0.4297 0.4297-0.0000 ( 4726 PWs) bands (ev): -47.9483 -47.9483 -21.0231 -21.0231 -20.9490 -20.9490 -19.9821 -19.9821 -19.8062 -19.8062 -19.8007 -19.8007 -18.9770 -18.9770 -18.7780 -18.7780 -6.4639 -6.4639 -3.5741 -3.5741 -2.7116 -2.7116 -2.4327 -2.4327 -2.3527 -2.3527 -1.0968 -1.0968 -0.6237 -0.6237 -0.4818 -0.4818 -0.4516 -0.4516 -0.0258 -0.0258 0.5189 0.5189 0.5513 0.5513 10.9210 10.9210 12.4351 12.4351 12.6042 12.6042 12.7075 12.7075 k = 0.4219 0.4219-0.0000 ( 4738 PWs) bands (ev): -47.9483 -47.9483 -21.0345 -21.0345 -20.9436 -20.9436 -19.9821 -19.9821 -19.8064 -19.8064 -19.8007 -19.8007 -18.9742 -18.9742 -18.7788 -18.7788 -6.4422 -6.4422 -3.5537 -3.5537 -2.7331 -2.7331 -2.4403 -2.4403 -2.3421 -2.3421 -1.1023 -1.1023 -0.6200 -0.6200 -0.4773 -0.4773 -0.4471 -0.4471 -0.0398 -0.0398 0.5180 0.5180 0.5515 0.5515 10.8460 10.8460 12.4421 12.4421 12.6171 12.6171 12.7424 12.7424 k = 0.4141 0.4141-0.0000 ( 4738 PWs) bands (ev): -47.9484 -47.9484 -21.0469 -21.0469 -20.9375 -20.9375 -19.9822 -19.9822 -19.8065 -19.8065 -19.8007 -19.8007 -18.9712 -18.9712 -18.7798 -18.7798 -6.4185 -6.4185 -3.5312 -3.5312 -2.7568 -2.7568 -2.4487 -2.4487 -2.3304 -2.3304 -1.1083 -1.1083 -0.6159 -0.6159 -0.4725 -0.4725 -0.4423 -0.4423 -0.0545 -0.0545 0.5169 0.5169 0.5518 0.5518 10.7661 10.7661 12.4487 12.4487 12.6313 12.6313 12.7803 12.7803 k = 0.4062 0.4062-0.0000 ( 4736 PWs) bands (ev): -47.9484 -47.9484 -21.0604 -21.0604 -20.9310 -20.9310 -19.9822 -19.9822 -19.8067 -19.8067 -19.8007 -19.8007 -18.9680 -18.9680 -18.7808 -18.7808 -6.3929 -6.3929 -3.5065 -3.5065 -2.7826 -2.7826 -2.4577 -2.4577 -2.3176 -2.3176 -1.1149 -1.1149 -0.6114 -0.6114 -0.4674 -0.4674 -0.4373 -0.4373 -0.0697 -0.0697 0.5156 0.5156 0.5521 0.5521 10.6819 10.6819 12.4547 12.4547 12.6470 12.6470 12.8211 12.8211 k = 0.3984 0.3984-0.0000 ( 4742 PWs) bands (ev): -47.9485 -47.9485 -21.0748 -21.0748 -20.9240 -20.9240 -19.9822 -19.9822 -19.8069 -19.8069 -19.8006 -19.8006 -18.9647 -18.9647 -18.7819 -18.7819 -6.3653 -6.3653 -3.4798 -3.4798 -2.8105 -2.8105 -2.4673 -2.4673 -2.3038 -2.3038 -1.1220 -1.1220 -0.6066 -0.6066 -0.4620 -0.4620 -0.4323 -0.4323 -0.0852 -0.0852 0.5140 0.5140 0.5525 0.5525 10.5938 10.5938 12.4596 12.4596 12.6640 12.6640 12.8645 12.8645 k = 0.3906 0.3906-0.0000 ( 4754 PWs) bands (ev): -47.9485 -47.9485 -21.0901 -21.0901 -20.9165 -20.9165 -19.9822 -19.9822 -19.8071 -19.8071 -19.8006 -19.8006 -18.9612 -18.9612 -18.7830 -18.7830 -6.3360 -6.3360 -3.4509 -3.4509 -2.8404 -2.8404 -2.4775 -2.4775 -2.2889 -2.2889 -1.1295 -1.1295 -0.6013 -0.6013 -0.4564 -0.4564 -0.4274 -0.4274 -0.1007 -0.1007 0.5121 0.5121 0.5529 0.5529 10.5024 10.5024 12.4630 12.4630 12.6824 12.6824 12.9106 12.9106 k = 0.3828 0.3828-0.0000 ( 4742 PWs) bands (ev): -47.9486 -47.9486 -21.1062 -21.1062 -20.9084 -20.9084 -19.9822 -19.9822 -19.8072 -19.8072 -19.8005 -19.8005 -18.9577 -18.9577 -18.7842 -18.7842 -6.3050 -6.3050 -3.4200 -3.4200 -2.8723 -2.8723 -2.4884 -2.4884 -2.2729 -2.2729 -1.1376 -1.1376 -0.5956 -0.5956 -0.4507 -0.4507 -0.4226 -0.4226 -0.1157 -0.1157 0.5100 0.5100 0.5533 0.5533 10.4080 10.4080 12.4647 12.4647 12.7022 12.7022 12.9590 12.9590 k = 0.3750 0.3750-0.0000 ( 4758 PWs) bands (ev): -47.9486 -47.9486 -21.1231 -21.1231 -20.8999 -20.8999 -19.9822 -19.9822 -19.8074 -19.8074 -19.8004 -19.8004 -18.9540 -18.9540 -18.7855 -18.7855 -6.2723 -6.2723 -3.3870 -3.3870 -2.9062 -2.9062 -2.4997 -2.4997 -2.2560 -2.2560 -1.1461 -1.1461 -0.5895 -0.5895 -0.4453 -0.4453 -0.4181 -0.4181 -0.1300 -0.1300 0.5075 0.5075 0.5537 0.5537 10.3111 10.3111 12.4643 12.4643 12.7234 12.7234 13.0096 13.0096 k = 0.3672 0.3672-0.0000 ( 4762 PWs) bands (ev): -47.9487 -47.9487 -21.1407 -21.1407 -20.8910 -20.8910 -19.9822 -19.9822 -19.8076 -19.8076 -19.8003 -19.8003 -18.9504 -18.9504 -18.7868 -18.7868 -6.2381 -6.2381 -3.3520 -3.3520 -2.9419 -2.9419 -2.5115 -2.5115 -2.2381 -2.2381 -1.1551 -1.1551 -0.5830 -0.5830 -0.4407 -0.4407 -0.4137 -0.4137 -0.1430 -0.1430 0.5047 0.5047 0.5540 0.5540 10.2120 10.2120 12.4614 12.4614 12.7461 12.7461 13.0623 13.0623 k = 0.3594 0.3594-0.0000 ( 4758 PWs) bands (ev): -47.9487 -47.9487 -21.1590 -21.1590 -20.8816 -20.8816 -19.9822 -19.9822 -19.8077 -19.8077 -19.8002 -19.8002 -18.9466 -18.9466 -18.7881 -18.7881 -6.2026 -6.2026 -3.3151 -3.3151 -2.9793 -2.9793 -2.5238 -2.5238 -2.2193 -2.2193 -1.1645 -1.1645 -0.5761 -0.5761 -0.4376 -0.4376 -0.4088 -0.4088 -0.1542 -0.1542 0.5015 0.5015 0.5543 0.5543 10.1111 10.1111 12.4557 12.4557 12.7701 12.7701 13.1167 13.1167 k = 0.3516 0.3516-0.0000 ( 4754 PWs) bands (ev): -47.9488 -47.9488 -21.1779 -21.1779 -20.8719 -20.8719 -19.9821 -19.9821 -19.8079 -19.8079 -19.8000 -19.8000 -18.9429 -18.9429 -18.7895 -18.7895 -6.1656 -6.1656 -3.2762 -3.2762 -3.0184 -3.0184 -2.5365 -2.5365 -2.1995 -2.1995 -1.1744 -1.1744 -0.5687 -0.5687 -0.4371 -0.4371 -0.4029 -0.4029 -0.1632 -0.1632 0.4981 0.4981 0.5545 0.5545 10.0086 10.0086 12.4469 12.4469 12.7955 12.7955 13.1725 13.1725 k = 0.3438 0.3437-0.0000 ( 4754 PWs) bands (ev): -47.9489 -47.9489 -21.1974 -21.1974 -20.8617 -20.8617 -19.9821 -19.9821 -19.8080 -19.8080 -19.7998 -19.7998 -18.9392 -18.9392 -18.7910 -18.7910 -6.1275 -6.1275 -3.2356 -3.2356 -3.0588 -3.0588 -2.5495 -2.5495 -2.1788 -2.1788 -1.1847 -1.1847 -0.5610 -0.5610 -0.4396 -0.4396 -0.3958 -0.3958 -0.1696 -0.1696 0.4944 0.4944 0.5545 0.5545 9.9049 9.9049 12.4348 12.4348 12.8224 12.8224 13.2292 13.2292 k = 0.3359 0.3359-0.0000 ( 4746 PWs) bands (ev): -47.9489 -47.9489 -21.2174 -21.2174 -20.8512 -20.8512 -19.9819 -19.9819 -19.8081 -19.8081 -19.7996 -19.7996 -18.9355 -18.9355 -18.7924 -18.7924 -6.0883 -6.0883 -3.1941 -3.1941 -3.0998 -3.0998 -2.5629 -2.5629 -2.1572 -2.1572 -1.1953 -1.1953 -0.5528 -0.5528 -0.4453 -0.4453 -0.3874 -0.3874 -0.1733 -0.1733 0.4903 0.4903 0.5544 0.5544 9.8002 9.8002 12.4191 12.4191 12.8507 12.8507 13.2858 13.2858 k = 0.3281 0.3281-0.0000 ( 4750 PWs) bands (ev): -47.9490 -47.9490 -21.2378 -21.2378 -20.8403 -20.8403 -19.9819 -19.9819 -19.8081 -19.8081 -19.7994 -19.7994 -18.9319 -18.9319 -18.7939 -18.7939 -6.0480 -6.0480 -3.1633 -3.1633 -3.1298 -3.1298 -2.5766 -2.5766 -2.1348 -2.1348 -1.2064 -1.2064 -0.5443 -0.5443 -0.4539 -0.4539 -0.3781 -0.3781 -0.1741 -0.1741 0.4858 0.4858 0.5541 0.5541 9.6947 9.6947 12.3999 12.3999 12.8805 12.8805 13.3397 13.3397 k = 0.3203 0.3203-0.0000 ( 4758 PWs) bands (ev): -47.9491 -47.9491 -21.2586 -21.2586 -20.8291 -20.8291 -19.9818 -19.9818 -19.8082 -19.8082 -19.7993 -19.7993 -18.9284 -18.9284 -18.7954 -18.7954 -6.0069 -6.0069 -3.1952 -3.1952 -3.0966 -3.0966 -2.5905 -2.5905 -2.1116 -2.1116 -1.2178 -1.2178 -0.5354 -0.5354 -0.4649 -0.4649 -0.3679 -0.3679 -0.1723 -0.1723 0.4810 0.4810 0.5535 0.5535 9.5886 9.5886 12.3769 12.3769 12.9117 12.9117 13.3804 13.3804 k = 0.3125 0.3125-0.0000 ( 4762 PWs) bands (ev): -47.9491 -47.9491 -21.2797 -21.2797 -20.8176 -20.8176 -19.9817 -19.9817 -19.8083 -19.8083 -19.7990 -19.7990 -18.9250 -18.9250 -18.7969 -18.7969 -5.9650 -5.9650 -3.2403 -3.2403 -3.0497 -3.0497 -2.6046 -2.6046 -2.0876 -2.0876 -1.2295 -1.2295 -0.5264 -0.5264 -0.4777 -0.4777 -0.3570 -0.3570 -0.1682 -0.1682 0.4759 0.4759 0.5527 0.5527 9.4822 9.4822 12.3503 12.3503 12.9443 12.9443 13.3753 13.3753 k = 0.3047 0.3047-0.0000 ( 4762 PWs) bands (ev): -47.9492 -47.9492 -21.3011 -21.3011 -20.8058 -20.8058 -19.9815 -19.9815 -19.8083 -19.8083 -19.7987 -19.7987 -18.9216 -18.9216 -18.7984 -18.7984 -5.9224 -5.9224 -3.2875 -3.2875 -3.0002 -3.0002 -2.6189 -2.6189 -2.0628 -2.0628 -1.2415 -1.2415 -0.5180 -0.5180 -0.4910 -0.4910 -0.3454 -0.3454 -0.1620 -0.1620 0.4704 0.4704 0.5516 0.5516 9.3756 9.3756 12.3200 12.3200 12.9784 12.9784 13.3283 13.3283 k = 0.2969 0.2969-0.0000 ( 4766 PWs) bands (ev): -47.9493 -47.9493 -21.3226 -21.3226 -20.7938 -20.7938 -19.9814 -19.9814 -19.8084 -19.8084 -19.7985 -19.7985 -18.9184 -18.9184 -18.7999 -18.7999 -5.8792 -5.8792 -3.3360 -3.3360 -2.9488 -2.9488 -2.6333 -2.6333 -2.0373 -2.0373 -1.2537 -1.2537 -0.5170 -0.5170 -0.4979 -0.4979 -0.3332 -0.3332 -0.1541 -0.1541 0.4645 0.4645 0.5502 0.5502 9.2691 9.2691 12.2864 12.2864 13.0140 13.0140 13.2701 13.2701 k = 0.2891 0.2891-0.0000 ( 4772 PWs) bands (ev): -47.9494 -47.9494 -21.3444 -21.3444 -20.7815 -20.7815 -19.9812 -19.9812 -19.8084 -19.8084 -19.7982 -19.7982 -18.9153 -18.9153 -18.8015 -18.8015 -5.8356 -5.8356 -3.3855 -3.3855 -2.8959 -2.8959 -2.6478 -2.6478 -2.0111 -2.0111 -1.2661 -1.2661 -0.5301 -0.5301 -0.4910 -0.4910 -0.3203 -0.3203 -0.1448 -0.1448 0.4582 0.4582 0.5485 0.5485 9.1627 9.1627 12.2494 12.2494 13.0510 13.0510 13.2094 13.2094 k = 0.2812 0.2812-0.0000 ( 4770 PWs) bands (ev): -47.9494 -47.9494 -21.3662 -21.3662 -20.7691 -20.7691 -19.9810 -19.9810 -19.8083 -19.8083 -19.7978 -19.7978 -18.9124 -18.9124 -18.8030 -18.8030 -5.7916 -5.7916 -3.4358 -3.4358 -2.8417 -2.8417 -2.6622 -2.6622 -1.9843 -1.9843 -1.2787 -1.2787 -0.5469 -0.5469 -0.4806 -0.4806 -0.3069 -0.3069 -0.1344 -0.1344 0.4516 0.4516 0.5464 0.5464 9.0566 9.0566 12.2095 12.2095 13.0895 13.0895 13.1483 13.1483 k = 0.2734 0.2734-0.0000 ( 4770 PWs) bands (ev): -47.9495 -47.9495 -21.3881 -21.3881 -20.7564 -20.7564 -19.9808 -19.9808 -19.8083 -19.8083 -19.7975 -19.7975 -18.9096 -18.9096 -18.8045 -18.8045 -5.7474 -5.7474 -3.4868 -3.4868 -2.7864 -2.7864 -2.6764 -2.6764 -1.9569 -1.9569 -1.2914 -1.2914 -0.5647 -0.5647 -0.4691 -0.4691 -0.2929 -0.2929 -0.1232 -0.1232 0.4446 0.4446 0.5439 0.5439 8.9510 8.9510 12.1668 12.1668 13.0873 13.0873 13.1296 13.1296 k = 0.2656 0.2656-0.0000 ( 4768 PWs) bands (ev): -47.9496 -47.9496 -21.4099 -21.4099 -20.7437 -20.7437 -19.9805 -19.9805 -19.8082 -19.8082 -19.7971 -19.7971 -18.9070 -18.9070 -18.8060 -18.8060 -5.7029 -5.7029 -3.5383 -3.5383 -2.7315 -2.7315 -2.6892 -2.6892 -1.9289 -1.9289 -1.3040 -1.3040 -0.5828 -0.5828 -0.4571 -0.4571 -0.2783 -0.2783 -0.1112 -0.1112 0.4372 0.4372 0.5411 0.5411 8.8461 8.8461 12.1216 12.1216 13.0269 13.0269 13.1710 13.1710 k = 0.2578 0.2578-0.0000 ( 4772 PWs) bands (ev): -47.9496 -47.9496 -21.4317 -21.4317 -20.7308 -20.7308 -19.9803 -19.9803 -19.8082 -19.8082 -19.7966 -19.7966 -18.9046 -18.9046 -18.8074 -18.8074 -5.6585 -5.6585 -3.5901 -3.5901 -2.7095 -2.7095 -2.6681 -2.6681 -1.9003 -1.9003 -1.3167 -1.3167 -0.6009 -0.6009 -0.4445 -0.4445 -0.2632 -0.2632 -0.0986 -0.0986 0.4294 0.4294 0.5378 0.5378 8.7419 8.7419 12.0743 12.0743 12.9672 12.9672 13.2139 13.2139 k = 0.2500 0.2500-0.0000 ( 4772 PWs) bands (ev): -47.9497 -47.9497 -21.4534 -21.4534 -20.7179 -20.7179 -19.9801 -19.9801 -19.8081 -19.8081 -19.7961 -19.7961 -18.9023 -18.9023 -18.8089 -18.8089 -5.6141 -5.6141 -3.6422 -3.6422 -2.7222 -2.7222 -2.6115 -2.6115 -1.8713 -1.8713 -1.3292 -1.3292 -0.6190 -0.6190 -0.4314 -0.4314 -0.2476 -0.2476 -0.0857 -0.0857 0.4212 0.4212 0.5341 0.5341 8.6386 8.6386 12.0252 12.0252 12.9082 12.9082 13.2583 13.2583 k = 0.2422 0.2422-0.0000 ( 4768 PWs) bands (ev): -47.9498 -47.9498 -21.4749 -21.4749 -20.7049 -20.7049 -19.9798 -19.9798 -19.8080 -19.8080 -19.7956 -19.7956 -18.9002 -18.9002 -18.8103 -18.8103 -5.5698 -5.5698 -3.6944 -3.6944 -2.7361 -2.7361 -2.5529 -2.5529 -1.8419 -1.8419 -1.3414 -1.3414 -0.6368 -0.6368 -0.4179 -0.4179 -0.2315 -0.2315 -0.0723 -0.0723 0.4127 0.4127 0.5299 0.5299 8.5364 8.5364 11.9745 11.9745 12.8501 12.8501 13.3041 13.3041 k = 0.2344 0.2344-0.0000 ( 4768 PWs) bands (ev): -47.9499 -47.9499 -21.4962 -21.4962 -20.6919 -20.6919 -19.9795 -19.9795 -19.8080 -19.8080 -19.7951 -19.7951 -18.8982 -18.8982 -18.8117 -18.8117 -5.5257 -5.5257 -3.7466 -3.7466 -2.7502 -2.7502 -2.4938 -2.4938 -1.8121 -1.8121 -1.3532 -1.3532 -0.6543 -0.6543 -0.4039 -0.4039 -0.2150 -0.2150 -0.0588 -0.0588 0.4037 0.4037 0.5253 0.5253 8.4353 8.4353 11.9227 11.9227 12.7930 12.7930 13.3514 13.3514 k = 0.2266 0.2266-0.0000 ( 4768 PWs) bands (ev): -47.9499 -47.9499 -21.5173 -21.5173 -20.6789 -20.6789 -19.9792 -19.9792 -19.8079 -19.8079 -19.7945 -19.7945 -18.8965 -18.8965 -18.8130 -18.8130 -5.4820 -5.4820 -3.7986 -3.7986 -2.7641 -2.7641 -2.4346 -2.4346 -1.7820 -1.7820 -1.3645 -1.3645 -0.6715 -0.6715 -0.3895 -0.3895 -0.1981 -0.1981 -0.0452 -0.0452 0.3943 0.3943 0.5201 0.5201 8.3356 8.3356 11.8699 11.8699 12.7368 12.7368 13.4000 13.4000 k = 0.2188 0.2187-0.0000 ( 4768 PWs) bands (ev): -47.9500 -47.9500 -21.5381 -21.5381 -20.6660 -20.6660 -19.9789 -19.9789 -19.8078 -19.8078 -19.7938 -19.7938 -18.8949 -18.8949 -18.8143 -18.8143 -5.4387 -5.4387 -3.8502 -3.8502 -2.7779 -2.7779 -2.3757 -2.3757 -1.7516 -1.7516 -1.3750 -1.3750 -0.6882 -0.6882 -0.3747 -0.3747 -0.1808 -0.1808 -0.0314 -0.0314 0.3846 0.3846 0.5145 0.5145 8.2372 8.2372 11.8166 11.8166 12.6816 12.6816 13.4501 13.4501 k = 0.2109 0.2109-0.0000 ( 4776 PWs) bands (ev): -47.9501 -47.9501 -21.5585 -21.5585 -20.6531 -20.6531 -19.9786 -19.9786 -19.8077 -19.8077 -19.7932 -19.7932 -18.8935 -18.8935 -18.8156 -18.8156 -5.3958 -5.3958 -3.9014 -3.9014 -2.7915 -2.7915 -2.3175 -2.3175 -1.7211 -1.7211 -1.3845 -1.3845 -0.7045 -0.7045 -0.3594 -0.3594 -0.1631 -0.1631 -0.0177 -0.0177 0.3745 0.3745 0.5084 0.5084 8.1405 8.1405 11.7629 11.7629 12.6274 12.6274 13.5015 13.5015 k = 0.2031 0.2031-0.0000 ( 4776 PWs) bands (ev): -47.9502 -47.9502 -21.5785 -21.5785 -20.6404 -20.6404 -19.9783 -19.9783 -19.8076 -19.8076 -19.7925 -19.7925 -18.8923 -18.8923 -18.8168 -18.8168 -5.3536 -5.3536 -3.9520 -3.9520 -2.8048 -2.8048 -2.2604 -2.2604 -1.6903 -1.6903 -1.3927 -1.3927 -0.7203 -0.7203 -0.3438 -0.3438 -0.1452 -0.1452 -0.0040 -0.0040 0.3640 0.3640 0.5018 0.5018 8.0454 8.0454 11.7092 11.7092 12.5743 12.5743 13.5542 13.5542 k = 0.1953 0.1953-0.0000 ( 4780 PWs) bands (ev): -47.9503 -47.9503 -21.5981 -21.5981 -20.6277 -20.6277 -19.9780 -19.9780 -19.8076 -19.8076 -19.7918 -19.7918 -18.8912 -18.8912 -18.8180 -18.8180 -5.3120 -5.3120 -4.0020 -4.0020 -2.8178 -2.8178 -2.2049 -2.2049 -1.6595 -1.6595 -1.3992 -1.3992 -0.7355 -0.7355 -0.3278 -0.3278 -0.1270 -0.1270 0.0096 0.0096 0.3532 0.3532 0.4946 0.4946 7.9521 7.9521 11.6556 11.6556 12.5224 12.5224 13.6083 13.6083 k = 0.1875 0.1875-0.0000 ( 4776 PWs) bands (ev): -47.9503 -47.9503 -21.6173 -21.6173 -20.6153 -20.6153 -19.9777 -19.9777 -19.8075 -19.8075 -19.7910 -19.7910 -18.8903 -18.8903 -18.8192 -18.8192 -5.2711 -5.2711 -4.0510 -4.0510 -2.8305 -2.8305 -2.1516 -2.1516 -1.6287 -1.6287 -1.4036 -1.4036 -0.7501 -0.7501 -0.3114 -0.3114 -0.1087 -0.1087 0.0230 0.0230 0.3420 0.3420 0.4869 0.4869 7.8609 7.8609 11.6025 11.6025 12.4716 12.4716 13.6635 13.6635 k = 0.1797 0.1797-0.0000 ( 4778 PWs) bands (ev): -47.9504 -47.9504 -21.6359 -21.6359 -20.6031 -20.6031 -19.9774 -19.9774 -19.8074 -19.8074 -19.7902 -19.7902 -18.8895 -18.8895 -18.8203 -18.8203 -5.2311 -5.2311 -4.0991 -4.0991 -2.8429 -2.8429 -2.1012 -2.1012 -1.5979 -1.5979 -1.4054 -1.4054 -0.7642 -0.7642 -0.2947 -0.2947 -0.0902 -0.0902 0.0363 0.0363 0.3306 0.3306 0.4787 0.4787 7.7717 7.7717 11.5501 11.5501 12.4220 12.4220 13.7199 13.7199 k = 0.1719 0.1719-0.0000 ( 4774 PWs) bands (ev): -47.9505 -47.9505 -21.6540 -21.6540 -20.5911 -20.5911 -19.9771 -19.9771 -19.8073 -19.8073 -19.7894 -19.7894 -18.8889 -18.8889 -18.8213 -18.8213 -5.1919 -5.1919 -4.1460 -4.1460 -2.8549 -2.8549 -2.0545 -2.0545 -1.5673 -1.5673 -1.4039 -1.4039 -0.7777 -0.7777 -0.2776 -0.2776 -0.0717 -0.0717 0.0493 0.0493 0.3188 0.3188 0.4699 0.4699 7.6847 7.6847 11.4986 11.4986 12.3738 12.3738 13.7774 13.7774 k = 0.1641 0.1641-0.0000 ( 4778 PWs) bands (ev): -47.9505 -47.9505 -21.6716 -21.6716 -20.5794 -20.5794 -19.9768 -19.9768 -19.8073 -19.8073 -19.7885 -19.7885 -18.8884 -18.8884 -18.8223 -18.8223 -5.1538 -5.1538 -4.1918 -4.1918 -2.8665 -2.8665 -2.0122 -2.0122 -1.5369 -1.5369 -1.3985 -1.3985 -0.7906 -0.7906 -0.2602 -0.2602 -0.0531 -0.0531 0.0621 0.0621 0.3068 0.3068 0.4606 0.4606 7.6001 7.6001 11.4481 11.4481 12.3268 12.3268 13.8359 13.8359 k = 0.1562 0.1562-0.0000 ( 4782 PWs) bands (ev): -47.9506 -47.9506 -21.6885 -21.6885 -20.5680 -20.5680 -19.9766 -19.9766 -19.8072 -19.8072 -19.7877 -19.7877 -18.8880 -18.8880 -18.8233 -18.8233 -5.1167 -5.1167 -4.2362 -4.2362 -2.8778 -2.8778 -1.9751 -1.9751 -1.5068 -1.5068 -1.3888 -1.3888 -0.8029 -0.8029 -0.2425 -0.2425 -0.0347 -0.0347 0.0746 0.0746 0.2946 0.2946 0.4507 0.4507 7.5180 7.5180 11.3989 11.3989 12.2812 12.2812 13.8952 13.8952 k = 0.1484 0.1484-0.0000 ( 4782 PWs) bands (ev): -47.9507 -47.9507 -21.7048 -21.7048 -20.5569 -20.5569 -19.9763 -19.9763 -19.8072 -19.8072 -19.7868 -19.7868 -18.8878 -18.8878 -18.8242 -18.8242 -5.0808 -5.0808 -4.2792 -4.2792 -2.8886 -2.8886 -1.9437 -1.9437 -1.4770 -1.4770 -1.3742 -1.3742 -0.8145 -0.8145 -0.2246 -0.2246 -0.0164 -0.0164 0.0867 0.0867 0.2823 0.2823 0.4404 0.4404 7.4386 7.4386 11.3511 11.3511 12.2371 12.2371 13.9553 13.9553 k = 0.1406 0.1406-0.0000 ( 4776 PWs) bands (ev): -47.9507 -47.9507 -21.7204 -21.7204 -20.5462 -20.5462 -19.9760 -19.9760 -19.8071 -19.8071 -19.7859 -19.7859 -18.8876 -18.8876 -18.8251 -18.8251 -5.0460 -5.0460 -4.3207 -4.3207 -2.8989 -2.8989 -1.9183 -1.9183 -1.4478 -1.4478 -1.3547 -1.3547 -0.8256 -0.8256 -0.2063 -0.2063 0.0017 0.0017 0.0984 0.0984 0.2698 0.2698 0.4295 0.4295 7.3620 7.3620 11.3048 11.3048 12.1945 12.1945 14.0160 14.0160 k = 0.1328 0.1328-0.0000 ( 4780 PWs) bands (ev): -47.9508 -47.9508 -21.7354 -21.7354 -20.5358 -20.5358 -19.9758 -19.9758 -19.8071 -19.8071 -19.7850 -19.7850 -18.8876 -18.8876 -18.8259 -18.8259 -5.0126 -5.0126 -4.3604 -4.3604 -2.9089 -2.9089 -1.8987 -1.8987 -1.4191 -1.4191 -1.3306 -1.3306 -0.8361 -0.8361 -0.1878 -0.1878 0.0194 0.0194 0.1098 0.1098 0.2573 0.2573 0.4180 0.4180 7.2884 7.2884 11.2603 11.2603 12.1535 12.1535 14.0771 14.0771 k = 0.1250 0.1250-0.0000 ( 4784 PWs) bands (ev): -47.9508 -47.9508 -21.7496 -21.7496 -20.5259 -20.5259 -19.9756 -19.9756 -19.8070 -19.8070 -19.7842 -19.7842 -18.8876 -18.8876 -18.8266 -18.8266 -4.9806 -4.9806 -4.3985 -4.3985 -2.9183 -2.9183 -1.8845 -1.8845 -1.3912 -1.3912 -1.3025 -1.3025 -0.8459 -0.8459 -0.1692 -0.1692 0.0368 0.0368 0.1207 0.1207 0.2447 0.2447 0.4061 0.4061 7.2178 7.2178 11.2177 11.2177 12.1142 12.1142 14.1383 14.1383 k = 0.1172 0.1172-0.0000 ( 4776 PWs) bands (ev): -47.9509 -47.9509 -21.7631 -21.7631 -20.5164 -20.5164 -19.9753 -19.9753 -19.8069 -19.8069 -19.7833 -19.7833 -18.8877 -18.8877 -18.8273 -18.8273 -4.9500 -4.9500 -4.4346 -4.4346 -2.9272 -2.9272 -1.8750 -1.8750 -1.3640 -1.3640 -1.2712 -1.2712 -0.8551 -0.8551 -0.1503 -0.1503 0.0536 0.0536 0.1312 0.1312 0.2322 0.2322 0.3937 0.3937 7.1505 7.1505 11.1770 11.1770 12.0766 12.0766 14.1996 14.1996 k = 0.1094 0.1094-0.0000 ( 4772 PWs) bands (ev): -47.9509 -47.9509 -21.7759 -21.7759 -20.5075 -20.5075 -19.9751 -19.9751 -19.8069 -19.8069 -19.7824 -19.7824 -18.8878 -18.8878 -18.8280 -18.8280 -4.9209 -4.9209 -4.4689 -4.4689 -2.9356 -2.9356 -1.8694 -1.8694 -1.3377 -1.3377 -1.2379 -1.2379 -0.8637 -0.8637 -0.1313 -0.1313 0.0698 0.0698 0.1413 0.1413 0.2199 0.2199 0.3808 0.3808 7.0866 7.0866 11.1385 11.1385 12.0409 12.0409 14.2341 14.2341 k = 0.1016 0.1016-0.0000 ( 4768 PWs) bands (ev): -47.9510 -47.9510 -21.7878 -21.7878 -20.4990 -20.4990 -19.9749 -19.9749 -19.8068 -19.8068 -19.7815 -19.7815 -18.8880 -18.8880 -18.8286 -18.8286 -4.8934 -4.8934 -4.5012 -4.5012 -2.9435 -2.9435 -1.8668 -1.8668 -1.3124 -1.3124 -1.2034 -1.2034 -0.8716 -0.8716 -0.1121 -0.1121 0.0853 0.0853 0.1509 0.1509 0.2078 0.2078 0.3674 0.3674 7.0263 7.0263 11.1022 11.1022 12.0072 12.0072 14.2213 14.2213 k = 0.0938 0.0937-0.0000 ( 4772 PWs) bands (ev): -47.9510 -47.9510 -21.7989 -21.7989 -20.4910 -20.4910 -19.9747 -19.9747 -19.8068 -19.8068 -19.7808 -19.7808 -18.8883 -18.8883 -18.8292 -18.8292 -4.8676 -4.8676 -4.5314 -4.5314 -2.9509 -2.9509 -1.8665 -1.8665 -1.2883 -1.2883 -1.1687 -1.1687 -0.8789 -0.8789 -0.0929 -0.0929 0.0999 0.0999 0.1600 0.1600 0.1960 0.1960 0.3536 0.3536 6.9697 6.9697 11.0682 11.0682 11.9755 11.9755 14.2078 14.2078 k = 0.0859 0.0859-0.0000 ( 4772 PWs) bands (ev): -47.9511 -47.9511 -21.8093 -21.8093 -20.4836 -20.4836 -19.9746 -19.9746 -19.8067 -19.8067 -19.7800 -19.7800 -18.8886 -18.8886 -18.8297 -18.8297 -4.8436 -4.8436 -4.5594 -4.5594 -2.9577 -2.9577 -1.8680 -1.8680 -1.2654 -1.2654 -1.1347 -1.1347 -0.8856 -0.8856 -0.0736 -0.0736 0.1136 0.1136 0.1686 0.1686 0.1846 0.1846 0.3394 0.3394 6.9169 6.9169 11.0366 11.0366 11.9459 11.9459 14.1942 14.1942 k = 0.0781 0.0781-0.0000 ( 4768 PWs) bands (ev): -47.9511 -47.9511 -21.8187 -21.8187 -20.4768 -20.4768 -19.9744 -19.9744 -19.8067 -19.8067 -19.7793 -19.7793 -18.8889 -18.8889 -18.8302 -18.8302 -4.8214 -4.8214 -4.5852 -4.5852 -2.9640 -2.9640 -1.8705 -1.8705 -1.2438 -1.2438 -1.1018 -1.1018 -0.8917 -0.8917 -0.0543 -0.0543 0.1262 0.1262 0.1738 0.1738 0.1769 0.1769 0.3248 0.3248 6.8682 6.8682 11.0074 11.0074 11.9185 11.9185 14.1808 14.1808 k = 0.0703 0.0703-0.0000 ( 4762 PWs) bands (ev): -47.9511 -47.9511 -21.8274 -21.8274 -20.4705 -20.4705 -19.9742 -19.9742 -19.8066 -19.8066 -19.7786 -19.7786 -18.8892 -18.8892 -18.8306 -18.8306 -4.8010 -4.8010 -4.6088 -4.6088 -2.9697 -2.9697 -1.8738 -1.8738 -1.2238 -1.2238 -1.0708 -1.0708 -0.8970 -0.8970 -0.0351 -0.0351 0.1374 0.1374 0.1637 0.1637 0.1846 0.1846 0.3099 0.3099 6.8236 6.8236 10.9809 10.9809 11.8934 11.8934 14.1677 14.1677 k = 0.0625 0.0625-0.0000 ( 4758 PWs) bands (ev): -47.9511 -47.9511 -21.8351 -21.8351 -20.4648 -20.4648 -19.9741 -19.9741 -19.8066 -19.8066 -19.7780 -19.7780 -18.8894 -18.8894 -18.8309 -18.8309 -4.7827 -4.7827 -4.6299 -4.6299 -2.9748 -2.9748 -1.8775 -1.8775 -1.2055 -1.2055 -1.0421 -1.0421 -0.9016 -0.9016 -0.0159 -0.0159 0.1464 0.1464 0.1553 0.1553 0.1918 0.1918 0.2948 0.2948 6.7832 6.7832 10.9569 10.9569 11.8707 11.8707 14.1554 14.1554 k = 0.0547 0.0547-0.0000 ( 4761 PWs) bands (ev): -47.9512 -47.9512 -21.8420 -21.8420 -20.4598 -20.4598 -19.9740 -19.9740 -19.8066 -19.8066 -19.7774 -19.7774 -18.8897 -18.8897 -18.8313 -18.8313 -4.7663 -4.7663 -4.6487 -4.6487 -2.9793 -2.9793 -1.8812 -1.8812 -1.1889 -1.1889 -1.0163 -1.0163 -0.9055 -0.9055 0.0030 0.0030 0.1442 0.1442 0.1574 0.1574 0.1985 0.1985 0.2795 0.2795 6.7473 6.7473 10.9357 10.9357 11.8505 11.8505 14.1439 14.1439 k = 0.0469 0.0469-0.0000 ( 4773 PWs) bands (ev): -47.9512 -47.9512 -21.8480 -21.8480 -20.4554 -20.4554 -19.9740 -19.9740 -19.8066 -19.8066 -19.7770 -19.7770 -18.8900 -18.8900 -18.8316 -18.8316 -4.7522 -4.7522 -4.6651 -4.6651 -2.9833 -2.9833 -1.8849 -1.8849 -1.1742 -1.1742 -0.9936 -0.9936 -0.9085 -0.9085 0.0216 0.0216 0.1371 0.1371 0.1639 0.1639 0.2046 0.2046 0.2643 0.2643 6.7160 6.7160 10.9171 10.9171 11.8328 11.8328 14.1336 14.1336 k = 0.0391 0.0391-0.0000 ( 4789 PWs) bands (ev): -47.9512 -47.9512 -21.8530 -21.8530 -20.4517 -20.4517 -19.9739 -19.9739 -19.8066 -19.8066 -19.7766 -19.7766 -18.8902 -18.8902 -18.8318 -18.8318 -4.7402 -4.7402 -4.6789 -4.6789 -2.9866 -2.9866 -1.8883 -1.8883 -1.1616 -1.1616 -0.9746 -0.9746 -0.9105 -0.9105 0.0397 0.0397 0.1309 0.1309 0.1689 0.1689 0.2100 0.2100 0.2494 0.2494 6.6892 6.6892 10.9014 10.9014 11.8177 11.8177 14.1246 14.1246 k = 0.0312 0.0312-0.0000 ( 4785 PWs) bands (ev): -47.9513 -47.9513 -21.8572 -21.8572 -20.4487 -20.4487 -19.9739 -19.9739 -19.8066 -19.8066 -19.7762 -19.7762 -18.8904 -18.8904 -18.8320 -18.8320 -4.7304 -4.7304 -4.6900 -4.6900 -2.9894 -2.9894 -1.8912 -1.8912 -1.1511 -1.1511 -0.9597 -0.9597 -0.9112 -0.9112 0.0570 0.0570 0.1262 0.1262 0.1718 0.1718 0.2146 0.2146 0.2356 0.2356 6.6672 6.6672 10.8884 10.8884 11.8053 11.8053 14.1171 14.1171 k = 0.0234 0.0234-0.0000 ( 4787 PWs) bands (ev): -47.9513 -47.9513 -21.8604 -21.8604 -20.4463 -20.4463 -19.9738 -19.9738 -19.8066 -19.8066 -19.7759 -19.7759 -18.8906 -18.8906 -18.8322 -18.8322 -4.7233 -4.7233 -4.6982 -4.6982 -2.9915 -2.9915 -1.8936 -1.8936 -1.1428 -1.1428 -0.9493 -0.9493 -0.9104 -0.9104 0.0725 0.0725 0.1236 0.1236 0.1716 0.1716 0.2183 0.2183 0.2238 0.2238 6.6500 6.6500 10.8783 10.8783 11.7955 11.7955 14.1111 14.1111 k = 0.0156 0.0156-0.0000 ( 4797 PWs) bands (ev): -47.9513 -47.9513 -21.8628 -21.8628 -20.4445 -20.4445 -19.9738 -19.9738 -19.8066 -19.8066 -19.7758 -19.7758 -18.8907 -18.8907 -18.8323 -18.8323 -4.7190 -4.7190 -4.7033 -4.7033 -2.9930 -2.9930 -1.8954 -1.8954 -1.1368 -1.1368 -0.9431 -0.9431 -0.9085 -0.9085 0.0849 0.0849 0.1243 0.1243 0.1676 0.1676 0.2151 0.2151 0.2213 0.2213 6.6377 6.6377 10.8711 10.8711 11.7886 11.7886 14.1067 14.1067 k = 0.0078 0.0078-0.0000 ( 4801 PWs) bands (ev): -47.9513 -47.9513 -21.8641 -21.8641 -20.4435 -20.4435 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8908 -18.8908 -18.8323 -18.8323 -4.7177 -4.7177 -4.7050 -4.7050 -2.9940 -2.9940 -1.8965 -1.8965 -1.1332 -1.1332 -0.9401 -0.9401 -0.9066 -0.9066 0.0921 0.0921 0.1289 0.1289 0.1606 0.1606 0.2107 0.2107 0.2229 0.2229 6.6302 6.6302 10.8668 10.8668 11.7844 11.7844 14.1041 14.1041 k = 0.0000 0.0000 0.0000 ( 4807 PWs) bands (ev): -47.9513 -47.9513 -21.8646 -21.8646 -20.4432 -20.4432 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8908 -18.8908 -18.8324 -18.8324 -4.7177 -4.7177 -4.7052 -4.7052 -2.9943 -2.9943 -1.8969 -1.8969 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0942 0.0942 0.1327 0.1327 0.1561 0.1561 0.2094 0.2094 0.2235 0.2235 6.6278 6.6278 10.8653 10.8653 11.7830 11.7830 14.1032 14.1032 k = 0.0000 0.0000 0.0000 ( 4807 PWs) bands (ev): -47.9513 -47.9513 -21.8646 -21.8646 -20.4432 -20.4432 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8908 -18.8908 -18.8324 -18.8324 -4.7177 -4.7177 -4.7052 -4.7052 -2.9943 -2.9943 -1.8969 -1.8969 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0942 0.0942 0.1327 0.1327 0.1561 0.1561 0.2094 0.2094 0.2235 0.2235 6.6278 6.6278 10.8653 10.8653 11.7830 11.7830 14.1032 14.1032 k = 0.0000 0.0000 0.0111 ( 4807 PWs) bands (ev): -47.9513 -47.9513 -21.8646 -21.8646 -20.4432 -20.4432 -19.9738 -19.9738 -19.8066 -19.8066 -19.7757 -19.7757 -18.8921 -18.8921 -18.8311 -18.8311 -4.7177 -4.7177 -4.7052 -4.7052 -2.9956 -2.9956 -1.8941 -1.8941 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0921 0.0921 0.1308 0.1308 0.1561 0.1561 0.2094 0.2094 0.2254 0.2254 6.6301 6.6301 10.8489 10.8489 11.7989 11.7989 14.1056 14.1056 k = 0.0000 0.0000 0.0221 ( 4807 PWs) bands (ev): -47.9513 -47.9513 -21.8646 -21.8646 -20.4432 -20.4432 -19.9738 -19.9738 -19.8065 -19.8065 -19.7757 -19.7757 -18.8956 -18.8956 -18.8277 -18.8277 -4.7177 -4.7177 -4.7052 -4.7052 -2.9994 -2.9994 -1.8858 -1.8858 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0864 0.0864 0.1255 0.1255 0.1549 0.1549 0.2102 0.2102 0.2308 0.2308 6.6371 6.6371 10.8029 10.8029 11.8435 11.8435 14.1126 14.1126 k = 0.0000 0.0000 0.0332 ( 4791 PWs) bands (ev): -47.9513 -47.9513 -21.8645 -21.8645 -20.4432 -20.4432 -19.9737 -19.9737 -19.8064 -19.8064 -19.7756 -19.7756 -18.9007 -18.9007 -18.8227 -18.8227 -4.7176 -4.7176 -4.7051 -4.7051 -3.0056 -3.0056 -1.8721 -1.8721 -1.1320 -1.1320 -0.9393 -0.9393 -0.9058 -0.9058 0.0782 0.0782 0.1177 0.1177 0.1502 0.1502 0.2131 0.2131 0.2386 0.2386 6.6487 6.6487 10.7342 10.7342 11.9096 11.9096 14.1244 14.1244 k = 0.0000 0.0000 0.0443 ( 4795 PWs) bands (ev): -47.9513 -47.9513 -21.8645 -21.8645 -20.4432 -20.4432 -19.9736 -19.9736 -19.8063 -19.8063 -19.7756 -19.7756 -18.9068 -18.9068 -18.8168 -18.8168 -4.7176 -4.7176 -4.7051 -4.7051 -3.0140 -3.0140 -1.8534 -1.8534 -1.1321 -1.1321 -0.9393 -0.9393 -0.9058 -0.9058 0.0685 0.0685 0.1084 0.1084 0.1404 0.1404 0.2186 0.2186 0.2480 0.2480 6.6648 6.6648 10.6500 10.6500 11.9901 11.9901 14.1410 14.1410 k = 0.0000 0.0000 0.0553 ( 4795 PWs) bands (ev): -47.9513 -47.9513 -21.8644 -21.8644 -20.4432 -20.4432 -19.9736 -19.9736 -19.8062 -19.8062 -19.7756 -19.7756 -18.9136 -18.9136 -18.8103 -18.8103 -4.7175 -4.7175 -4.7050 -4.7050 -3.0243 -3.0243 -1.8298 -1.8298 -1.1321 -1.1321 -0.9393 -0.9393 -0.9058 -0.9058 0.0578 0.0578 0.0983 0.0983 0.1255 0.1255 0.2264 0.2264 0.2583 0.2583 6.6854 6.6854 10.5557 10.5557 12.0794 12.0794 14.1625 14.1625 k = 0.0000 0.0000 0.0664 ( 4795 PWs) bands (ev): -47.9513 -47.9513 -21.8643 -21.8643 -20.4432 -20.4432 -19.9735 -19.9735 -19.8061 -19.8061 -19.7756 -19.7756 -18.9206 -18.9206 -18.8035 -18.8035 -4.7174 -4.7174 -4.7049 -4.7049 -3.0361 -3.0361 -1.8018 -1.8018 -1.1322 -1.1322 -0.9393 -0.9393 -0.9058 -0.9058 0.0464 0.0464 0.0877 0.0877 0.1061 0.1061 0.2355 0.2355 0.2690 0.2690 6.7102 6.7102 10.4550 10.4550 12.1734 12.1734 14.1890 14.1890 k = 0.0000 0.0000 0.0775 ( 4783 PWs) bands (ev): -47.9513 -47.9513 -21.8642 -21.8642 -20.4432 -20.4432 -19.9733 -19.9733 -19.8059 -19.8059 -19.7756 -19.7756 -18.9278 -18.9278 -18.7967 -18.7967 -4.7173 -4.7173 -4.7048 -4.7048 -3.0492 -3.0492 -1.7696 -1.7696 -1.1322 -1.1322 -0.9392 -0.9392 -0.9057 -0.9057 0.0344 0.0344 0.0770 0.0770 0.0831 0.0831 0.2454 0.2454 0.2800 0.2800 6.7392 6.7392 10.3504 10.3504 12.2696 12.2696 14.2206 14.2206 k = 0.0000 0.0000 0.0885 ( 4783 PWs) bands (ev): -47.9513 -47.9513 -21.8641 -21.8641 -20.4432 -20.4432 -19.9732 -19.9732 -19.8058 -19.8058 -19.7756 -19.7756 -18.9349 -18.9349 -18.7898 -18.7898 -4.7172 -4.7172 -4.7047 -4.7047 -3.0632 -3.0632 -1.7337 -1.7337 -1.1323 -1.1323 -0.9392 -0.9392 -0.9057 -0.9057 0.0209 0.0209 0.0577 0.0577 0.0663 0.0663 0.2556 0.2556 0.2909 0.2909 6.7721 6.7721 10.2436 10.2436 12.3660 12.3660 14.2576 14.2576 k = 0.0000 0.0000 0.0996 ( 4775 PWs) bands (ev): -47.9513 -47.9513 -21.8640 -21.8640 -20.4432 -20.4432 -19.9730 -19.9730 -19.8056 -19.8056 -19.7755 -19.7755 -18.9420 -18.9420 -18.7831 -18.7831 -4.7170 -4.7170 -4.7045 -4.7045 -3.0778 -3.0778 -1.6943 -1.6943 -1.1323 -1.1323 -0.9392 -0.9392 -0.9057 -0.9057 0.0030 0.0030 0.0333 0.0333 0.0558 0.0558 0.2659 0.2659 0.3017 0.3017 6.8088 6.8088 10.1357 10.1357 12.4611 12.4611 14.3001 14.3001 k = 0.0000 0.0000 0.1107 ( 4767 PWs) bands (ev): -47.9513 -47.9513 -21.8638 -21.8638 -20.4432 -20.4432 -19.9729 -19.9729 -19.8054 -19.8054 -19.7755 -19.7755 -18.9490 -18.9490 -18.7766 -18.7766 -4.7169 -4.7169 -4.7044 -4.7044 -3.0927 -3.0927 -1.6520 -1.6520 -1.1324 -1.1324 -0.9392 -0.9392 -0.9057 -0.9057 -0.0242 -0.0242 0.0152 0.0152 0.0456 0.0456 0.2760 0.2760 0.3121 0.3121 6.8489 6.8489 10.0276 10.0276 12.5537 12.5537 14.3481 14.3481 k = 0.0000 0.0000 0.1217 ( 4759 PWs) bands (ev): -47.9513 -47.9513 -21.8637 -21.8637 -20.4432 -20.4432 -19.9727 -19.9727 -19.8051 -19.8051 -19.7755 -19.7755 -18.9557 -18.9557 -18.7703 -18.7703 -4.7168 -4.7168 -4.7043 -4.7043 -3.1076 -3.1076 -1.6068 -1.6068 -1.1325 -1.1325 -0.9392 -0.9392 -0.9057 -0.9057 -0.0592 -0.0592 0.0022 0.0022 0.0357 0.0357 0.2859 0.2859 0.3223 0.3223 6.8921 6.8921 9.9202 9.9202 12.6428 12.6428 14.4018 14.4018 k = 0.0000 0.0000 0.1328 ( 4743 PWs) bands (ev): -47.9512 -47.9512 -21.8635 -21.8635 -20.4432 -20.4432 -19.9725 -19.9725 -19.8049 -19.8049 -19.7754 -19.7754 -18.9621 -18.9621 -18.7644 -18.7644 -4.7166 -4.7166 -4.7041 -4.7041 -3.1224 -3.1224 -1.5592 -1.5592 -1.1325 -1.1325 -0.9392 -0.9392 -0.9057 -0.9057 -0.0988 -0.0988 -0.0087 -0.0087 0.0263 0.0263 0.2954 0.2954 0.3320 0.3320 6.9382 6.9382 9.8139 9.8139 12.7277 12.7277 14.4612 14.4612 k = 0.0000 0.0000 0.1438 ( 4755 PWs) bands (ev): -47.9513 -47.9513 -21.8634 -21.8634 -20.4431 -20.4431 -19.9724 -19.9724 -19.8047 -19.8047 -19.7755 -19.7755 -18.9682 -18.9682 -18.7587 -18.7587 -4.7164 -4.7164 -4.7039 -4.7039 -3.1367 -3.1367 -1.5094 -1.5094 -1.1326 -1.1326 -0.9392 -0.9392 -0.9057 -0.9057 -0.1418 -0.1418 -0.0184 -0.0184 0.0173 0.0173 0.3044 0.3044 0.3412 0.3412 6.9867 6.9867 9.7094 9.7094 12.8075 12.8075 14.5263 14.5263 k = 0.0000 0.0000 0.1549 ( 4751 PWs) bands (ev): -47.9513 -47.9513 -21.8633 -21.8633 -20.4431 -20.4431 -19.9722 -19.9722 -19.8045 -19.8045 -19.7755 -19.7755 -18.9740 -18.9740 -18.7534 -18.7534 -4.7163 -4.7163 -4.7038 -4.7038 -3.1504 -3.1504 -1.4577 -1.4577 -1.1326 -1.1326 -0.9392 -0.9392 -0.9057 -0.9057 -0.1875 -0.1875 -0.0273 -0.0273 0.0089 0.0089 0.3129 0.3129 0.3498 0.3498 7.0372 7.0372 9.6073 9.6073 12.8817 12.8817 14.5967 14.5967 k = 0.0000 0.0000 0.1660 ( 4743 PWs) bands (ev): -47.9512 -47.9512 -21.8631 -21.8631 -20.4431 -20.4431 -19.9721 -19.9721 -19.8043 -19.8043 -19.7754 -19.7754 -18.9793 -18.9793 -18.7484 -18.7484 -4.7161 -4.7161 -4.7036 -4.7036 -3.1633 -3.1633 -1.4043 -1.4043 -1.1327 -1.1327 -0.9392 -0.9392 -0.9057 -0.9057 -0.2355 -0.2355 -0.0354 -0.0354 0.0011 0.0011 0.3209 0.3209 0.3579 0.3579 7.0891 7.0891 9.5082 9.5082 12.9499 12.9499 14.6721 14.6721 k = 0.0000 0.0000 0.1770 ( 4747 PWs) bands (ev): -47.9512 -47.9512 -21.8630 -21.8630 -20.4431 -20.4431 -19.9719 -19.9719 -19.8041 -19.8041 -19.7754 -19.7754 -18.9843 -18.9843 -18.7439 -18.7439 -4.7160 -4.7160 -4.7035 -4.7035 -3.1754 -3.1754 -1.3495 -1.3495 -1.1327 -1.1327 -0.9392 -0.9392 -0.9057 -0.9057 -0.2858 -0.2858 -0.0428 -0.0428 -0.0060 -0.0060 0.3282 0.3282 0.3653 0.3653 7.1418 7.1418 9.4128 9.4128 13.0118 13.0118 14.7518 14.7518 k = 0.0000 0.0000 0.1881 ( 4747 PWs) bands (ev): -47.9512 -47.9512 -21.8629 -21.8629 -20.4431 -20.4431 -19.9718 -19.9718 -19.8039 -19.8039 -19.7754 -19.7754 -18.9888 -18.9888 -18.7398 -18.7398 -4.7159 -4.7159 -4.7034 -4.7034 -3.1865 -3.1865 -1.2934 -1.2934 -1.1328 -1.1328 -0.9392 -0.9392 -0.9057 -0.9057 -0.3378 -0.3378 -0.0494 -0.0494 -0.0126 -0.0126 0.3349 0.3349 0.3721 0.3721 7.1946 7.1946 9.3218 9.3218 13.0672 13.0672 14.8349 14.8349 k = 0.0000 0.0000 0.1992 ( 4739 PWs) bands (ev): -47.9512 -47.9512 -21.8627 -21.8627 -20.4431 -20.4431 -19.9717 -19.9717 -19.8037 -19.8037 -19.7754 -19.7754 -18.9928 -18.9928 -18.7361 -18.7361 -4.7158 -4.7158 -4.7032 -4.7032 -3.1965 -3.1965 -1.2363 -1.2363 -1.1328 -1.1328 -0.9391 -0.9391 -0.9057 -0.9057 -0.3913 -0.3913 -0.0553 -0.0553 -0.0184 -0.0184 0.3409 0.3409 0.3781 0.3781 7.2464 7.2464 9.2363 9.2363 13.1160 13.1160 14.9203 14.9203 k = 0.0000 0.0000 0.2102 ( 4731 PWs) bands (ev): -47.9512 -47.9512 -21.8626 -21.8626 -20.4431 -20.4431 -19.9715 -19.9715 -19.8035 -19.8035 -19.7754 -19.7754 -18.9964 -18.9964 -18.7329 -18.7329 -4.7157 -4.7157 -4.7031 -4.7031 -3.2052 -3.2052 -1.1785 -1.1785 -1.1329 -1.1329 -0.9391 -0.9391 -0.9057 -0.9057 -0.4461 -0.4461 -0.0605 -0.0605 -0.0235 -0.0235 0.3461 0.3461 0.3834 0.3834 7.2962 7.2962 9.1573 9.1573 13.1581 13.1581 15.0061 15.0061 k = 0.0000 0.0000 0.2213 ( 4727 PWs) bands (ev): -47.9512 -47.9512 -21.8625 -21.8625 -20.4431 -20.4431 -19.9714 -19.9714 -19.8034 -19.8034 -19.7754 -19.7754 -18.9994 -18.9994 -18.7301 -18.7301 -4.7156 -4.7156 -4.7030 -4.7030 -3.2127 -3.2127 -1.1329 -1.1329 -1.1203 -1.1203 -0.9390 -0.9390 -0.9057 -0.9057 -0.5019 -0.5019 -0.0650 -0.0650 -0.0278 -0.0278 0.3506 0.3506 0.3879 0.3879 7.3427 7.3427 9.0861 9.0861 13.1935 13.1935 15.0521 15.0521 k = 0.0000 0.0000 0.2324 ( 4727 PWs) bands (ev): -47.9512 -47.9512 -21.8625 -21.8625 -20.4431 -20.4431 -19.9713 -19.9713 -19.8032 -19.8032 -19.7754 -19.7754 -19.0019 -19.0019 -18.7279 -18.7279 -4.7155 -4.7155 -4.7030 -4.7030 -3.2190 -3.2190 -1.1329 -1.1329 -1.0622 -1.0622 -0.9389 -0.9389 -0.9056 -0.9056 -0.5582 -0.5582 -0.0686 -0.0686 -0.0314 -0.0314 0.3543 0.3543 0.3917 0.3917 7.3844 7.3844 9.0242 9.0242 13.2224 13.2224 15.0622 15.0622 k = 0.0000 0.0000 0.2434 ( 4747 PWs) bands (ev): -47.9512 -47.9512 -21.8624 -21.8624 -20.4432 -20.4432 -19.9714 -19.9714 -19.8032 -19.8032 -19.7754 -19.7754 -19.0039 -19.0039 -18.7261 -18.7261 -4.7155 -4.7155 -4.7029 -4.7029 -3.2239 -3.2239 -1.1331 -1.1331 -1.0050 -1.0050 -0.9385 -0.9385 -0.9057 -0.9057 -0.6142 -0.6142 -0.0714 -0.0714 -0.0342 -0.0342 0.3572 0.3572 0.3946 0.3946 7.4195 7.4195 8.9735 8.9735 13.2448 13.2448 15.0702 15.0702 k = 0.0000 0.0000 0.2545 ( 4731 PWs) bands (ev): -47.9512 -47.9512 -21.8623 -21.8623 -20.4432 -20.4432 -19.9713 -19.9713 -19.8031 -19.8031 -19.7754 -19.7754 -19.0053 -19.0053 -18.7248 -18.7248 -4.7154 -4.7154 -4.7029 -4.7029 -3.2274 -3.2274 -1.1331 -1.1331 -0.9531 -0.9531 -0.9353 -0.9353 -0.9056 -0.9056 -0.6682 -0.6682 -0.0735 -0.0735 -0.0362 -0.0362 0.3593 0.3593 0.3967 0.3967 7.4462 7.4462 8.9356 8.9356 13.2607 13.2607 15.0761 15.0761 k = 0.0000 0.0000 0.2656 ( 4731 PWs) bands (ev): -47.9512 -47.9512 -21.8623 -21.8623 -20.4432 -20.4432 -19.9712 -19.9712 -19.8031 -19.8031 -19.7754 -19.7754 -19.0061 -19.0061 -18.7241 -18.7241 -4.7154 -4.7154 -4.7028 -4.7028 -3.2296 -3.2296 -1.1331 -1.1331 -0.9409 -0.9409 -0.9056 -0.9056 -0.8996 -0.8996 -0.7154 -0.7154 -0.0747 -0.0747 -0.0374 -0.0374 0.3605 0.3605 0.3979 0.3979 7.4630 7.4630 8.9121 8.9121 13.2702 13.2702 15.0797 15.0797 k = 0.0000 0.0000 0.2766 ( 4734 PWs) bands (ev): -47.9512 -47.9512 -21.8623 -21.8623 -20.4432 -20.4432 -19.9712 -19.9712 -19.8031 -19.8031 -19.7754 -19.7754 -19.0064 -19.0064 -18.7238 -18.7238 -4.7154 -4.7154 -4.7028 -4.7028 -3.2303 -3.2303 -1.1332 -1.1332 -0.9404 -0.9404 -0.9056 -0.9056 -0.8773 -0.8773 -0.7381 -0.7381 -0.0751 -0.0751 -0.0378 -0.0378 0.3610 0.3610 0.3984 0.3984 7.4687 7.4687 8.9041 8.9041 13.2734 13.2734 15.0809 15.0809 k = 0.0000 0.0000 0.2766 ( 4734 PWs) bands (ev): -47.9512 -47.9512 -21.8623 -21.8623 -20.4432 -20.4432 -19.9712 -19.9712 -19.8031 -19.8031 -19.7754 -19.7754 -19.0064 -19.0064 -18.7238 -18.7238 -4.7154 -4.7154 -4.7028 -4.7028 -3.2303 -3.2303 -1.1332 -1.1332 -0.9404 -0.9404 -0.9056 -0.9056 -0.8773 -0.8773 -0.7381 -0.7381 -0.0751 -0.0751 -0.0378 -0.0378 0.3610 0.3610 0.3984 0.3984 7.4687 7.4687 8.9041 8.9041 13.2734 13.2734 15.0809 15.0809 k = 0.0000 0.0109 0.2766 ( 4730 PWs) bands (ev): -47.9512 -47.9512 -21.8619 -21.8619 -20.4435 -20.4435 -19.9712 -19.9712 -19.8031 -19.8031 -19.7754 -19.7754 -19.0063 -19.0063 -18.7239 -18.7239 -4.7153 -4.7153 -4.7027 -4.7027 -3.2299 -3.2299 -1.1345 -1.1345 -0.9447 -0.9447 -0.9117 -0.9117 -0.8682 -0.8682 -0.7393 -0.7393 -0.0743 -0.0743 -0.0370 -0.0370 0.3606 0.3606 0.3980 0.3980 7.4703 7.4703 8.9063 8.9063 13.2751 13.2751 15.0765 15.0765 k = 0.0000 0.0217 0.2766 ( 4730 PWs) bands (ev): -47.9512 -47.9512 -21.8605 -21.8605 -20.4445 -20.4445 -19.9713 -19.9713 -19.8031 -19.8031 -19.7756 -19.7756 -19.0060 -19.0060 -18.7240 -18.7240 -4.7150 -4.7150 -4.7022 -4.7022 -3.2287 -3.2287 -1.1384 -1.1384 -0.9576 -0.9576 -0.9200 -0.9200 -0.8515 -0.8515 -0.7426 -0.7426 -0.0720 -0.0720 -0.0345 -0.0345 0.3595 0.3595 0.3971 0.3971 7.4749 7.4749 8.9129 8.9129 13.2801 13.2801 15.0634 15.0634 k = 0.0000 0.0326 0.2766 ( 4734 PWs) bands (ev): -47.9512 -47.9512 -21.8583 -21.8583 -20.4462 -20.4462 -19.9713 -19.9713 -19.8031 -19.8031 -19.7758 -19.7758 -19.0054 -19.0054 -18.7243 -18.7243 -4.7148 -4.7148 -4.7011 -4.7011 -3.2269 -3.2269 -1.1450 -1.1450 -0.9764 -0.9764 -0.9267 -0.9267 -0.8334 -0.8334 -0.7479 -0.7479 -0.0689 -0.0689 -0.0298 -0.0298 0.3576 0.3576 0.3956 0.3956 7.4825 7.4825 8.9240 8.9240 13.2884 13.2884 15.0416 15.0416 k = 0.0000 0.0435 0.2766 ( 4742 PWs) bands (ev): -47.9512 -47.9512 -21.8551 -21.8551 -20.4485 -20.4485 -19.9714 -19.9714 -19.8032 -19.8032 -19.7761 -19.7761 -19.0047 -19.0047 -18.7246 -18.7246 -4.7151 -4.7151 -4.6990 -4.6990 -3.2242 -3.2242 -1.1544 -1.1544 -0.9981 -0.9981 -0.9336 -0.9336 -0.8153 -0.8153 -0.7545 -0.7545 -0.0657 -0.0657 -0.0227 -0.0227 0.3546 0.3546 0.3939 0.3939 7.4932 7.4932 8.9394 8.9394 13.3001 13.3001 15.0112 15.0112 k = 0.0000 0.0543 0.2766 ( 4762 PWs) bands (ev): -47.9512 -47.9512 -21.8511 -21.8511 -20.4515 -20.4515 -19.9716 -19.9716 -19.8033 -19.8033 -19.7766 -19.7766 -19.0037 -19.0037 -18.7251 -18.7251 -4.7161 -4.7161 -4.6958 -4.6958 -3.2209 -3.2209 -1.1667 -1.1667 -1.0215 -1.0215 -0.9414 -0.9414 -0.7979 -0.7979 -0.7616 -0.7616 -0.0628 -0.0628 -0.0131 -0.0131 0.3502 0.3502 0.3922 0.3922 7.5069 7.5069 8.9592 8.9592 13.3150 13.3150 14.9724 14.9724 k = 0.0000 0.0652 0.2766 ( 4760 PWs) bands (ev): -47.9512 -47.9512 -21.8462 -21.8462 -20.4552 -20.4552 -19.9717 -19.9717 -19.8034 -19.8034 -19.7770 -19.7770 -19.0026 -19.0026 -18.7257 -18.7257 -4.7175 -4.7175 -4.6915 -4.6915 -3.2168 -3.2168 -1.1820 -1.1820 -1.0461 -1.0461 -0.9505 -0.9505 -0.7840 -0.7840 -0.7659 -0.7659 -0.0603 -0.0603 -0.0011 -0.0011 0.3444 0.3444 0.3907 0.3907 7.5237 7.5237 8.9833 8.9833 13.3332 13.3332 14.9253 14.9253 k = 0.0000 0.0761 0.2766 ( 4760 PWs) bands (ev): -47.9512 -47.9512 -21.8404 -21.8404 -20.4595 -20.4595 -19.9719 -19.9719 -19.8035 -19.8035 -19.7775 -19.7775 -19.0012 -19.0012 -18.7263 -18.7263 -4.7195 -4.7195 -4.6861 -4.6861 -3.2120 -3.2120 -1.2003 -1.2003 -1.0716 -1.0716 -0.9610 -0.9610 -0.7837 -0.7837 -0.7568 -0.7568 -0.0582 -0.0582 0.0126 0.0126 0.3370 0.3370 0.3897 0.3897 7.5436 7.5436 9.0116 9.0116 13.3545 13.3545 14.8704 14.8704 k = 0.0000 0.0870 0.2766 ( 4760 PWs) bands (ev): -47.9511 -47.9511 -21.8337 -21.8337 -20.4645 -20.4645 -19.9721 -19.9721 -19.8037 -19.8037 -19.7781 -19.7781 -18.9997 -18.9997 -18.7271 -18.7271 -4.7219 -4.7219 -4.6798 -4.6798 -3.2064 -3.2064 -1.2217 -1.2217 -1.0981 -1.0981 -0.9729 -0.9729 -0.7901 -0.7901 -0.7410 -0.7410 -0.0564 -0.0564 0.0276 0.0276 0.3281 0.3281 0.3890 0.3890 7.5664 7.5664 9.0440 9.0440 13.3789 13.3789 14.8081 14.8081 k = 0.0000 0.0978 0.2766 ( 4768 PWs) bands (ev): -47.9511 -47.9511 -21.8262 -21.8262 -20.4701 -20.4701 -19.9723 -19.9723 -19.8039 -19.8039 -19.7787 -19.7787 -18.9979 -18.9979 -18.7279 -18.7279 -4.7246 -4.7246 -4.6726 -4.6726 -3.2001 -3.2001 -1.2460 -1.2460 -1.1254 -1.1254 -0.9862 -0.9862 -0.7968 -0.7968 -0.7245 -0.7245 -0.0547 -0.0547 0.0433 0.0433 0.3177 0.3177 0.3887 0.3887 7.5922 7.5922 9.0805 9.0805 13.4064 13.4064 14.7387 14.7387 k = 0.0000 0.1087 0.2766 ( 4764 PWs) bands (ev): -47.9511 -47.9511 -21.8178 -21.8178 -20.4765 -20.4765 -19.9725 -19.9725 -19.8041 -19.8041 -19.7793 -19.7793 -18.9960 -18.9960 -18.7288 -18.7288 -4.7277 -4.7277 -4.6645 -4.6645 -3.1931 -3.1931 -1.2731 -1.2731 -1.1534 -1.1534 -1.0009 -1.0009 -0.8027 -0.8027 -0.7081 -0.7081 -0.0531 -0.0531 0.0595 0.0595 0.3061 0.3061 0.3887 0.3887 7.6211 7.6211 9.1211 9.1211 13.4368 13.4368 14.6628 14.6628 k = 0.0000 0.1196 0.2766 ( 4764 PWs) bands (ev): -47.9511 -47.9511 -21.8086 -21.8086 -20.4835 -20.4835 -19.9728 -19.9728 -19.8044 -19.8044 -19.7800 -19.7800 -18.9940 -18.9940 -18.7298 -18.7298 -4.7310 -4.7310 -4.6555 -4.6555 -3.1854 -3.1854 -1.3029 -1.3029 -1.1822 -1.1822 -1.0168 -1.0168 -0.8076 -0.8076 -0.6919 -0.6919 -0.0515 -0.0515 0.0756 0.0756 0.2932 0.2932 0.3889 0.3889 7.6529 7.6529 9.1655 9.1655 13.4701 13.4701 14.5808 14.5808 k = 0.0000 0.1304 0.2766 ( 4760 PWs) bands (ev): -47.9510 -47.9510 -21.7985 -21.7985 -20.4911 -20.4911 -19.9731 -19.9731 -19.8047 -19.8047 -19.7806 -19.7806 -18.9918 -18.9918 -18.7309 -18.7309 -4.7345 -4.7345 -4.6458 -4.6458 -3.1771 -3.1771 -1.3349 -1.3349 -1.2116 -1.2116 -1.0341 -1.0341 -0.8115 -0.8115 -0.6760 -0.6760 -0.0499 -0.0499 0.0916 0.0916 0.2793 0.2793 0.3895 0.3895 7.6876 7.6876 9.2137 9.2137 13.5060 13.5060 14.4934 14.4934 k = 0.0000 0.1413 0.2766 ( 4768 PWs) bands (ev): -47.9510 -47.9510 -21.7876 -21.7876 -20.4994 -20.4994 -19.9735 -19.9735 -19.8051 -19.8051 -19.7813 -19.7813 -18.9894 -18.9894 -18.7320 -18.7320 -4.7383 -4.7383 -4.6354 -4.6354 -3.1680 -3.1680 -1.3689 -1.3689 -1.2417 -1.2417 -1.0526 -1.0526 -0.8142 -0.8142 -0.6604 -0.6604 -0.0483 -0.0483 0.1071 0.1071 0.2645 0.2645 0.3901 0.3901 7.7253 7.7253 9.2656 9.2656 13.5446 13.5446 14.4008 14.4008 k = 0.0000 0.1522 0.2766 ( 4768 PWs) bands (ev): -47.9509 -47.9509 -21.7760 -21.7760 -20.5084 -20.5084 -19.9738 -19.9738 -19.8056 -19.8056 -19.7819 -19.7819 -18.9869 -18.9869 -18.7332 -18.7332 -4.7421 -4.7421 -4.6242 -4.6242 -3.1583 -3.1583 -1.4047 -1.4047 -1.2723 -1.2723 -1.0722 -1.0722 -0.8160 -0.8160 -0.6451 -0.6451 -0.0466 -0.0466 0.1219 0.1219 0.2489 0.2489 0.3909 0.3909 7.7659 7.7659 9.3211 9.3211 13.5855 13.5855 14.3037 14.3037 k = 0.0000 0.1630 0.2766 ( 4762 PWs) bands (ev): -47.9509 -47.9509 -21.7636 -21.7636 -20.5180 -20.5180 -19.9742 -19.9742 -19.8061 -19.8061 -19.7824 -19.7824 -18.9843 -18.9843 -18.7345 -18.7345 -4.7461 -4.7461 -4.6123 -4.6123 -3.1480 -3.1480 -1.4420 -1.4420 -1.3034 -1.3034 -1.0929 -1.0929 -0.8168 -0.8168 -0.6302 -0.6302 -0.0449 -0.0449 0.1361 0.1361 0.2326 0.2326 0.3919 0.3919 7.8094 7.8094 9.3800 9.3800 13.6287 13.6287 14.2025 14.2025 k = 0.0000 0.1739 0.2766 ( 4766 PWs) bands (ev): -47.9508 -47.9508 -21.7504 -21.7504 -20.5282 -20.5282 -19.9746 -19.9746 -19.8067 -19.8067 -19.7830 -19.7830 -18.9816 -18.9816 -18.7358 -18.7358 -4.7502 -4.7502 -4.5998 -4.5998 -3.1370 -3.1370 -1.4805 -1.4805 -1.3349 -1.3349 -1.1146 -1.1146 -0.8167 -0.8167 -0.6155 -0.6155 -0.0432 -0.0432 0.1492 0.1492 0.2157 0.2157 0.3929 0.3929 7.8556 7.8556 9.4423 9.4423 13.6738 13.6738 14.0976 14.0976 k = 0.0000 0.1848 0.2766 ( 4770 PWs) bands (ev): -47.9508 -47.9508 -21.7364 -21.7364 -20.5391 -20.5391 -19.9751 -19.9751 -19.8073 -19.8073 -19.7835 -19.7835 -18.9789 -18.9789 -18.7371 -18.7371 -4.7543 -4.7543 -4.5867 -4.5867 -3.1254 -3.1254 -1.5199 -1.5199 -1.3668 -1.3668 -1.1373 -1.1373 -0.8159 -0.8159 -0.6012 -0.6012 -0.0414 -0.0414 0.1613 0.1613 0.1985 0.1985 0.3941 0.3941 7.9047 7.9047 9.5078 9.5078 13.7205 13.7205 13.9894 13.9894 k = 0.0000 0.1957 0.2766 ( 4774 PWs) bands (ev): -47.9508 -47.9508 -21.7217 -21.7217 -20.5507 -20.5507 -19.9755 -19.9755 -19.8081 -19.8081 -19.7839 -19.7839 -18.9760 -18.9760 -18.7385 -18.7385 -4.7585 -4.7585 -4.5730 -4.5730 -3.1133 -3.1133 -1.5601 -1.5601 -1.3990 -1.3990 -1.1607 -1.1607 -0.8144 -0.8144 -0.5871 -0.5871 -0.0396 -0.0396 0.1710 0.1710 0.1823 0.1823 0.3953 0.3953 7.9566 7.9566 9.5764 9.5764 13.7685 13.7685 13.8785 13.8785 k = 0.0000 0.2065 0.2766 ( 4770 PWs) bands (ev): -47.9507 -47.9507 -21.7064 -21.7064 -20.5628 -20.5628 -19.9760 -19.9760 -19.8088 -19.8088 -19.7843 -19.7843 -18.9731 -18.9731 -18.7399 -18.7399 -4.7626 -4.7626 -4.5588 -4.5588 -3.1005 -3.1005 -1.6008 -1.6008 -1.4313 -1.4313 -1.1849 -1.1849 -0.8122 -0.8122 -0.5734 -0.5734 -0.0378 -0.0378 0.1610 0.1610 0.1843 0.1843 0.3965 0.3965 8.0112 8.0112 9.6480 9.6480 13.7643 13.7643 13.8180 13.8180 k = 0.0000 0.2174 0.2766 ( 4770 PWs) bands (ev): -47.9507 -47.9507 -21.6903 -21.6903 -20.5756 -20.5756 -19.9765 -19.9765 -19.8096 -19.8096 -19.7846 -19.7846 -18.9701 -18.9701 -18.7413 -18.7413 -4.7668 -4.7668 -4.5442 -4.5442 -3.0871 -3.0871 -1.6419 -1.6419 -1.4638 -1.4638 -1.2097 -1.2097 -0.8095 -0.8095 -0.5599 -0.5599 -0.0359 -0.0359 0.1432 0.1432 0.1930 0.1930 0.3979 0.3979 8.0684 8.0684 9.7225 9.7225 13.6489 13.6489 13.8671 13.8671 k = 0.0000 0.2283 0.2766 ( 4768 PWs) bands (ev): -47.9506 -47.9506 -21.6736 -21.6736 -20.5890 -20.5890 -19.9771 -19.9771 -19.8105 -19.8105 -19.7848 -19.7848 -18.9672 -18.9672 -18.7428 -18.7428 -4.7708 -4.7708 -4.5291 -4.5291 -3.0732 -3.0732 -1.6833 -1.6833 -1.4963 -1.4963 -1.2351 -1.2351 -0.8064 -0.8064 -0.5468 -0.5468 -0.0340 -0.0340 0.1248 0.1248 0.2010 0.2010 0.3992 0.3992 8.1283 8.1283 9.7997 9.7997 13.5313 13.5313 13.9160 13.9160 k = 0.0000 0.2391 0.2766 ( 4770 PWs) bands (ev): -47.9505 -47.9505 -21.6563 -21.6563 -20.6031 -20.6031 -19.9776 -19.9776 -19.8114 -19.8114 -19.7850 -19.7850 -18.9642 -18.9642 -18.7442 -18.7442 -4.7748 -4.7748 -4.5136 -4.5136 -3.0588 -3.0588 -1.7246 -1.7246 -1.5287 -1.5287 -1.2608 -1.2608 -0.8028 -0.8028 -0.5340 -0.5340 -0.0322 -0.0322 0.1064 0.1064 0.2079 0.2079 0.4007 0.4007 8.1908 8.1908 9.8796 9.8796 13.4121 13.4121 13.9638 13.9638 k = 0.0000 0.2500 0.2766 ( 4774 PWs) bands (ev): -47.9505 -47.9505 -21.6384 -21.6384 -20.6177 -20.6177 -19.9783 -19.9783 -19.8124 -19.8124 -19.7852 -19.7852 -18.9611 -18.9611 -18.7457 -18.7457 -4.7786 -4.7786 -4.4979 -4.4979 -3.0438 -3.0438 -1.7660 -1.7660 -1.5609 -1.5609 -1.2869 -1.2869 -0.7988 -0.7988 -0.5215 -0.5215 -0.0303 -0.0303 0.0880 0.0880 0.2139 0.2139 0.4021 0.4021 8.2558 8.2558 9.9619 9.9619 13.2916 13.2916 14.0092 14.0092 k = 0.0000 0.2609 0.2766 ( 4774 PWs) bands (ev): -47.9504 -47.9504 -21.6199 -21.6199 -20.6329 -20.6329 -19.9789 -19.9789 -19.8133 -19.8133 -19.7853 -19.7853 -18.9581 -18.9581 -18.7471 -18.7471 -4.7823 -4.7823 -4.4819 -4.4819 -3.0283 -3.0283 -1.8072 -1.8072 -1.5928 -1.5928 -1.3132 -1.3132 -0.7946 -0.7946 -0.5094 -0.5094 -0.0284 -0.0284 0.0697 0.0697 0.2188 0.2188 0.4035 0.4035 8.3233 8.3233 10.0466 10.0466 13.1700 13.1700 14.0509 14.0509 k = 0.0000 0.2717 0.2766 ( 4772 PWs) bands (ev): -47.9504 -47.9504 -21.6008 -21.6008 -20.6487 -20.6487 -19.9795 -19.9795 -19.8143 -19.8143 -19.7853 -19.7853 -18.9552 -18.9552 -18.7486 -18.7486 -4.7859 -4.7859 -4.4658 -4.4658 -3.0123 -3.0123 -1.8481 -1.8481 -1.6243 -1.6243 -1.3396 -1.3396 -0.7900 -0.7900 -0.4977 -0.4977 -0.0266 -0.0266 0.0516 0.0516 0.2227 0.2227 0.4050 0.4050 8.3931 8.3931 10.1335 10.1335 13.0477 13.0477 14.0871 14.0871 k = 0.0000 0.2826 0.2766 ( 4772 PWs) bands (ev): -47.9503 -47.9503 -21.5812 -21.5812 -20.6650 -20.6650 -19.9801 -19.9801 -19.8152 -19.8152 -19.7853 -19.7853 -18.9522 -18.9522 -18.7500 -18.7500 -4.7893 -4.7893 -4.4496 -4.4496 -2.9958 -2.9958 -1.8886 -1.8886 -1.6553 -1.6553 -1.3660 -1.3660 -0.7853 -0.7853 -0.4862 -0.4862 -0.0248 -0.0248 0.0339 0.0339 0.2258 0.2258 0.4064 0.4064 8.4653 8.4653 10.2226 10.2226 12.9247 12.9247 14.1155 14.1155 k = 0.0000 0.2935 0.2766 ( 4768 PWs) bands (ev): -47.9503 -47.9503 -21.5612 -21.5612 -20.6818 -20.6818 -19.9807 -19.9807 -19.8161 -19.8161 -19.7853 -19.7853 -18.9493 -18.9493 -18.7514 -18.7514 -4.7925 -4.7925 -4.4333 -4.4333 -2.9789 -2.9789 -1.9288 -1.9288 -1.6857 -1.6857 -1.3923 -1.3923 -0.7804 -0.7804 -0.4752 -0.4752 -0.0230 -0.0230 0.0166 0.0166 0.2279 0.2279 0.4078 0.4078 8.5398 8.5398 10.3137 10.3137 12.8013 12.8013 14.1335 14.1335 k = 0.0000 0.3043 0.2766 ( 4766 PWs) bands (ev): -47.9502 -47.9502 -21.5407 -21.5407 -20.6992 -20.6992 -19.9814 -19.9814 -19.8171 -19.8171 -19.7852 -19.7852 -18.9465 -18.9465 -18.7527 -18.7527 -4.7955 -4.7955 -4.4171 -4.4171 -2.9615 -2.9615 -1.9684 -1.9684 -1.7153 -1.7153 -1.4182 -1.4182 -0.7753 -0.7753 -0.4645 -0.4645 -0.0215 -0.0215 -0.0002 -0.0002 0.2293 0.2293 0.4092 0.4092 8.6165 8.6165 10.4066 10.4066 12.6777 12.6777 14.1386 14.1386 k = 0.0000 0.3152 0.2766 ( 4770 PWs) bands (ev): -47.9502 -47.9502 -21.5198 -21.5198 -20.7171 -20.7171 -19.9820 -19.9820 -19.8180 -19.8180 -19.7851 -19.7851 -18.9438 -18.9438 -18.7541 -18.7541 -4.7984 -4.7984 -4.4010 -4.4010 -2.9436 -2.9436 -2.0075 -2.0075 -1.7442 -1.7442 -1.4438 -1.4438 -0.7702 -0.7702 -0.4543 -0.4543 -0.0218 -0.0218 -0.0148 -0.0148 0.2299 0.2299 0.4106 0.4106 8.6952 8.6952 10.5012 10.5012 12.5541 12.5541 14.1286 14.1286 k = 0.0000 0.3261 0.2766 ( 4770 PWs) bands (ev): -47.9501 -47.9501 -21.4985 -21.4985 -20.7354 -20.7354 -19.9827 -19.9827 -19.8189 -19.8189 -19.7851 -19.7851 -18.9411 -18.9411 -18.7554 -18.7554 -4.8010 -4.8010 -4.3852 -4.3852 -2.9253 -2.9253 -2.0459 -2.0459 -1.7720 -1.7720 -1.4689 -1.4689 -0.7651 -0.7651 -0.4444 -0.4444 -0.0341 -0.0341 -0.0168 -0.0168 0.2299 0.2299 0.4120 0.4120 8.7759 8.7759 10.5975 10.5975 12.4307 12.4307 14.1022 14.1022 k = 0.0000 0.3370 0.2766 ( 4774 PWs) bands (ev): -47.9501 -47.9501 -21.4769 -21.4769 -20.7542 -20.7542 -19.9833 -19.9833 -19.8197 -19.8197 -19.7850 -19.7850 -18.9386 -18.9386 -18.7566 -18.7566 -4.8034 -4.8034 -4.3696 -4.3696 -2.9065 -2.9065 -2.0838 -2.0838 -1.7989 -1.7989 -1.4933 -1.4933 -0.7599 -0.7599 -0.4349 -0.4349 -0.0493 -0.0493 -0.0155 -0.0155 0.2292 0.2292 0.4133 0.4133 8.8585 8.8585 10.6951 10.6951 12.3077 12.3077 14.0595 14.0595 k = 0.0000 0.3478 0.2766 ( 4768 PWs) bands (ev): -47.9500 -47.9500 -21.4550 -21.4550 -20.7734 -20.7734 -19.9839 -19.9839 -19.8205 -19.8205 -19.7848 -19.7848 -18.9361 -18.9361 -18.7578 -18.7578 -4.8057 -4.8057 -4.3545 -4.3545 -2.8873 -2.8873 -2.1209 -2.1209 -1.8245 -1.8245 -1.5169 -1.5169 -0.7548 -0.7548 -0.4259 -0.4259 -0.0640 -0.0640 -0.0140 -0.0140 0.2281 0.2281 0.4145 0.4145 8.9429 8.9429 10.7940 10.7940 12.1852 12.1852 14.0021 14.0021 k = 0.0000 0.3587 0.2766 ( 4776 PWs) bands (ev): -47.9500 -47.9500 -21.4328 -21.4328 -20.7929 -20.7929 -19.9845 -19.9845 -19.8213 -19.8213 -19.7847 -19.7847 -18.9338 -18.9338 -18.7589 -18.7589 -4.8077 -4.8077 -4.3398 -4.3398 -2.8677 -2.8677 -2.1573 -2.1573 -1.8489 -1.8489 -1.5397 -1.5397 -0.7498 -0.7498 -0.4173 -0.4173 -0.0781 -0.0781 -0.0126 -0.0126 0.2265 0.2265 0.4157 0.4157 9.0289 9.0289 10.8940 10.8940 12.0636 12.0636 13.9321 13.9321 k = 0.0000 0.3696 0.2766 ( 4772 PWs) bands (ev): -47.9500 -47.9500 -21.4105 -21.4105 -20.8128 -20.8128 -19.9851 -19.9851 -19.8220 -19.8220 -19.7846 -19.7846 -18.9316 -18.9316 -18.7600 -18.7600 -4.8095 -4.8095 -4.3258 -4.3258 -2.8476 -2.8476 -2.1930 -2.1930 -1.8720 -1.8720 -1.5613 -1.5613 -0.7450 -0.7450 -0.4091 -0.4091 -0.0915 -0.0915 -0.0112 -0.0112 0.2247 0.2247 0.4168 0.4168 9.1164 9.1164 10.9948 10.9948 11.9429 11.9429 13.8521 13.8521 k = 0.0000 0.3804 0.2766 ( 4768 PWs) bands (ev): -47.9499 -47.9499 -21.3881 -21.3881 -20.8330 -20.8330 -19.9857 -19.9857 -19.8226 -19.8226 -19.7844 -19.7844 -18.9296 -18.9296 -18.7609 -18.7609 -4.8112 -4.8112 -4.3124 -4.3124 -2.8271 -2.8271 -2.2279 -2.2279 -1.8936 -1.8936 -1.5818 -1.5818 -0.7403 -0.7403 -0.4014 -0.4014 -0.1041 -0.1041 -0.0099 -0.0099 0.2226 0.2226 0.4179 0.4179 9.2050 9.2050 11.0961 11.0961 11.8236 11.8236 13.7644 13.7644 k = 0.0000 0.3913 0.2766 ( 4764 PWs) bands (ev): -47.9499 -47.9499 -21.3657 -21.3657 -20.8533 -20.8533 -19.9862 -19.9862 -19.8232 -19.8232 -19.7843 -19.7843 -18.9277 -18.9277 -18.7619 -18.7619 -4.8127 -4.8127 -4.2998 -4.2998 -2.8062 -2.8062 -2.2621 -2.2621 -1.9136 -1.9136 -1.6010 -1.6010 -0.7358 -0.7358 -0.3942 -0.3942 -0.1159 -0.1159 -0.0087 -0.0087 0.2203 0.2203 0.4189 0.4189 9.2946 9.2946 11.1977 11.1977 11.7059 11.7059 13.6714 13.6714 k = 0.0000 0.4022 0.2766 ( 4760 PWs) bands (ev): -47.9498 -47.9498 -21.3433 -21.3433 -20.8737 -20.8737 -19.9866 -19.9866 -19.8238 -19.8238 -19.7842 -19.7842 -18.9259 -18.9259 -18.7627 -18.7627 -4.8139 -4.8139 -4.2880 -4.2880 -2.7848 -2.7848 -2.2954 -2.2954 -1.9320 -1.9320 -1.6189 -1.6189 -0.7316 -0.7316 -0.3875 -0.3875 -0.1269 -0.1269 -0.0076 -0.0076 0.2180 0.2180 0.4199 0.4199 9.3848 9.3848 11.2992 11.2992 11.5901 11.5901 13.5747 13.5747 k = 0.0000 0.4130 0.2766 ( 4760 PWs) bands (ev): -47.9498 -47.9498 -21.3211 -21.3211 -20.8942 -20.8942 -19.9871 -19.9871 -19.8242 -19.8242 -19.7841 -19.7841 -18.9243 -18.9243 -18.7635 -18.7635 -4.8150 -4.8150 -4.2773 -4.2773 -2.7630 -2.7630 -2.3279 -2.3279 -1.9487 -1.9487 -1.6352 -1.6352 -0.7277 -0.7277 -0.3813 -0.3813 -0.1369 -0.1369 -0.0065 -0.0065 0.2156 0.2156 0.4207 0.4207 9.4752 9.4752 11.3999 11.3999 11.4768 11.4768 13.4762 13.4762 k = 0.0000 0.4239 0.2766 ( 4768 PWs) bands (ev): -47.9498 -47.9498 -21.2992 -21.2992 -20.9145 -20.9145 -19.9875 -19.9875 -19.8247 -19.8247 -19.7840 -19.7840 -18.9229 -18.9229 -18.7641 -18.7641 -4.8160 -4.8160 -4.2675 -4.2675 -2.7408 -2.7408 -2.3597 -2.3597 -1.9636 -1.9636 -1.6499 -1.6499 -0.7242 -0.7242 -0.3757 -0.3757 -0.1460 -0.1460 -0.0057 -0.0057 0.2134 0.2134 0.4214 0.4214 9.5649 9.5649 11.3667 11.3667 11.4992 11.4992 13.3775 13.3775 k = 0.0000 0.4348 0.2766 ( 4764 PWs) bands (ev): -47.9498 -47.9498 -21.2779 -21.2779 -20.9344 -20.9344 -19.9879 -19.9879 -19.8251 -19.8251 -19.7839 -19.7839 -18.9217 -18.9217 -18.7647 -18.7647 -4.8168 -4.8168 -4.2589 -4.2589 -2.7181 -2.7181 -2.3905 -2.3905 -1.9766 -1.9766 -1.6628 -1.6628 -0.7210 -0.7210 -0.3706 -0.3706 -0.1540 -0.1540 -0.0049 -0.0049 0.2113 0.2113 0.4221 0.4221 9.6533 9.6533 11.2608 11.2608 11.5960 11.5960 13.2801 13.2801 k = 0.0000 0.4457 0.2766 ( 4770 PWs) bands (ev): -47.9498 -47.9498 -21.2575 -21.2575 -20.9536 -20.9536 -19.9882 -19.9882 -19.8254 -19.8254 -19.7838 -19.7838 -18.9206 -18.9206 -18.7652 -18.7652 -4.8175 -4.8175 -4.2515 -4.2515 -2.6951 -2.6951 -2.4205 -2.4205 -1.9878 -1.9878 -1.6739 -1.6739 -0.7183 -0.7183 -0.3663 -0.3663 -0.1610 -0.1610 -0.0042 -0.0042 0.2093 0.2093 0.4226 0.4226 9.7387 9.7387 11.1604 11.1604 11.6887 11.6887 13.1863 13.1863 k = 0.0000 0.4565 0.2766 ( 4764 PWs) bands (ev): -47.9497 -47.9497 -21.2385 -21.2385 -20.9717 -20.9717 -19.9884 -19.9884 -19.8256 -19.8256 -19.7838 -19.7838 -18.9197 -18.9197 -18.7657 -18.7657 -4.8180 -4.8180 -4.2453 -4.2453 -2.6718 -2.6718 -2.4495 -2.4495 -1.9970 -1.9970 -1.6831 -1.6831 -0.7160 -0.7160 -0.3626 -0.3626 -0.1668 -0.1668 -0.0036 -0.0036 0.2077 0.2077 0.4231 0.4231 9.8191 9.8191 11.0677 11.0677 11.7750 11.7750 13.0986 13.0986 k = 0.0000 0.4674 0.2766 ( 4764 PWs) bands (ev): -47.9497 -47.9497 -21.2215 -21.2215 -20.9879 -20.9879 -19.9886 -19.9886 -19.8258 -19.8258 -19.7837 -19.7837 -18.9191 -18.9191 -18.7660 -18.7660 -4.8184 -4.8184 -4.2405 -4.2405 -2.6485 -2.6485 -2.4773 -2.4773 -2.0042 -2.0042 -1.6903 -1.6903 -0.7142 -0.7142 -0.3596 -0.3596 -0.1714 -0.1714 -0.0032 -0.0032 0.2064 0.2064 0.4234 0.4234 9.8912 9.8912 10.9861 10.9861 11.8517 11.8517 13.0206 13.0206 k = 0.0000 0.4783 0.2766 ( 4766 PWs) bands (ev): -47.9497 -47.9497 -21.2077 -21.2077 -21.0012 -21.0012 -19.9888 -19.9888 -19.8260 -19.8260 -19.7837 -19.7837 -18.9186 -18.9186 -18.7662 -18.7662 -4.8187 -4.8187 -4.2370 -4.2370 -2.6257 -2.6257 -2.5033 -2.5033 -2.0093 -2.0093 -1.6955 -1.6955 -0.7129 -0.7129 -0.3575 -0.3575 -0.1748 -0.1748 -0.0029 -0.0029 0.2054 0.2054 0.4237 0.4237 9.9503 9.9503 10.9202 10.9202 11.9137 11.9137 12.9575 12.9575 k = 0.0000 0.4891 0.2766 ( 4770 PWs) bands (ev): -47.9497 -47.9497 -21.1985 -21.1985 -21.0101 -21.0101 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9183 -18.9183 -18.7664 -18.7664 -4.8189 -4.8189 -4.2349 -4.2349 -2.6055 -2.6055 -2.5254 -2.5254 -2.0124 -2.0124 -1.6987 -1.6987 -0.7121 -0.7121 -0.3562 -0.3562 -0.1768 -0.1768 -0.0027 -0.0027 0.2048 0.2048 0.4239 0.4239 9.9900 9.9900 10.8763 10.8763 11.9550 11.9550 12.9156 12.9156 k = 0.0000 0.5000 0.2766 ( 4772 PWs) bands (ev): -47.9497 -47.9497 -21.1952 -21.1952 -21.0133 -21.0133 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9182 -18.9182 -18.7664 -18.7664 -4.8189 -4.8189 -4.2342 -4.2342 -2.5956 -2.5956 -2.5360 -2.5360 -2.0135 -2.0135 -1.6997 -1.6997 -0.7118 -0.7118 -0.3557 -0.3557 -0.1775 -0.1775 -0.0026 -0.0026 0.2046 0.2046 0.4239 0.4239 10.0042 10.0042 10.8608 10.8608 11.9696 11.9696 12.9007 12.9007 k = 0.0000 0.5000 0.2766 ( 4772 PWs) bands (ev): -47.9497 -47.9497 -21.1952 -21.1952 -21.0133 -21.0133 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9182 -18.9182 -18.7664 -18.7664 -4.8189 -4.8189 -4.2342 -4.2342 -2.5956 -2.5956 -2.5360 -2.5360 -2.0135 -2.0135 -1.6997 -1.6997 -0.7118 -0.7118 -0.3557 -0.3557 -0.1775 -0.1775 -0.0026 -0.0026 0.2046 0.2046 0.4239 0.4239 10.0042 10.0042 10.8608 10.8608 11.9696 11.9696 12.9007 12.9007 k = 0.0109 0.5000 0.2766 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.1949 -21.1949 -21.0132 -21.0132 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9182 -18.9182 -18.7665 -18.7665 -4.8262 -4.8262 -4.2271 -4.2271 -2.5954 -2.5954 -2.5358 -2.5358 -2.0249 -2.0249 -1.6884 -1.6884 -0.7140 -0.7140 -0.3556 -0.3556 -0.1774 -0.1774 -0.0012 -0.0012 0.2048 0.2048 0.4232 0.4232 10.0049 10.0049 10.8621 10.8621 11.9703 11.9703 12.9023 12.9023 k = 0.0217 0.5000 0.2766 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.1942 -21.1942 -21.0131 -21.0131 -19.9889 -19.9889 -19.8260 -19.8260 -19.7838 -19.7838 -18.9182 -18.9182 -18.7668 -18.7668 -4.8468 -4.8468 -4.2067 -4.2067 -2.5949 -2.5949 -2.5352 -2.5352 -2.0552 -2.0552 -1.6582 -1.6582 -0.7204 -0.7204 -0.3551 -0.3551 -0.1771 -0.1771 0.0031 0.0031 0.2051 0.2051 0.4210 0.4210 10.0069 10.0069 10.8659 10.8659 11.9725 11.9725 12.9071 12.9071 k = 0.0326 0.5000 0.2766 ( 4768 PWs) bands (ev): -47.9497 -47.9497 -21.1930 -21.1930 -21.0128 -21.0128 -19.9888 -19.9888 -19.8259 -19.8259 -19.7839 -19.7839 -18.9182 -18.9182 -18.7672 -18.7672 -4.8786 -4.8786 -4.1754 -4.1754 -2.5941 -2.5941 -2.5343 -2.5343 -2.0973 -2.0973 -1.6164 -1.6164 -0.7308 -0.7308 -0.3544 -0.3544 -0.1765 -0.1765 0.0100 0.0100 0.2058 0.2058 0.4175 0.4175 10.0103 10.0103 10.8722 10.8722 11.9761 11.9761 12.9151 12.9151 k = 0.0435 0.5000 0.2766 ( 4772 PWs) bands (ev): -47.9497 -47.9497 -21.1913 -21.1913 -21.0125 -21.0125 -19.9887 -19.9887 -19.8258 -19.8258 -19.7841 -19.7841 -18.9182 -18.9182 -18.7678 -18.7678 -4.9186 -4.9186 -4.1361 -4.1361 -2.5929 -2.5929 -2.5331 -2.5331 -2.1460 -2.1460 -1.5681 -1.5681 -0.7449 -0.7449 -0.3533 -0.3533 -0.1756 -0.1756 0.0193 0.0193 0.2067 0.2067 0.4126 0.4126 10.0151 10.0151 10.8809 10.8809 11.9811 11.9811 12.9262 12.9262 k = 0.0543 0.5000 0.2766 ( 4764 PWs) bands (ev): -47.9497 -47.9497 -21.1891 -21.1891 -21.0121 -21.0121 -19.9886 -19.9886 -19.8255 -19.8255 -19.7843 -19.7843 -18.9181 -18.9181 -18.7685 -18.7685 -4.9645 -4.9645 -4.0911 -4.0911 -2.5915 -2.5915 -2.5315 -2.5315 -2.1982 -2.1982 -1.5163 -1.5163 -0.7624 -0.7624 -0.3520 -0.3520 -0.1746 -0.1746 0.0306 0.0306 0.2078 0.2078 0.4063 0.4063 10.0212 10.0212 10.8922 10.8922 11.9876 11.9876 12.9403 12.9403 k = 0.0652 0.5000 0.2766 ( 4764 PWs) bands (ev): -47.9496 -47.9496 -21.1865 -21.1865 -21.0116 -21.0116 -19.9884 -19.9884 -19.8253 -19.8253 -19.7846 -19.7846 -18.9181 -18.9181 -18.7694 -18.7694 -5.0145 -5.0145 -4.0421 -4.0421 -2.5897 -2.5897 -2.5295 -2.5295 -2.2524 -2.2524 -1.4626 -1.4626 -0.7828 -0.7828 -0.3504 -0.3504 -0.1733 -0.1733 0.0435 0.0435 0.2092 0.2092 0.3986 0.3986 10.0287 10.0287 10.9060 10.9060 11.9955 11.9955 12.9576 12.9576 k = 0.0761 0.5000 0.2766 ( 4756 PWs) bands (ev): -47.9496 -47.9496 -21.1834 -21.1834 -21.0110 -21.0110 -19.9882 -19.9882 -19.8250 -19.8250 -19.7848 -19.7848 -18.9181 -18.9181 -18.7705 -18.7705 -5.0673 -5.0673 -3.9905 -3.9905 -2.5876 -2.5876 -2.5273 -2.5273 -2.3077 -2.3077 -1.4080 -1.4080 -0.8057 -0.8057 -0.3485 -0.3485 -0.1717 -0.1717 0.0576 0.0576 0.2108 0.2108 0.3897 0.3897 10.0375 10.0375 10.9223 10.9223 12.0048 12.0048 12.9778 12.9778 k = 0.0870 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9496 -47.9496 -21.1799 -21.1799 -21.0103 -21.0103 -19.9880 -19.9880 -19.8246 -19.8246 -19.7852 -19.7852 -18.9181 -18.9181 -18.7717 -18.7717 -5.1220 -5.1220 -3.9373 -3.9373 -2.5853 -2.5853 -2.5248 -2.5248 -2.3634 -2.3634 -1.3529 -1.3529 -0.8308 -0.8308 -0.3463 -0.3463 -0.1700 -0.1700 0.0727 0.0727 0.2127 0.2127 0.3796 0.3796 10.0476 10.0476 10.9410 10.9410 12.0156 12.0156 13.0010 13.0010 k = 0.0978 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9496 -47.9496 -21.1760 -21.1760 -21.0096 -21.0096 -19.9878 -19.9878 -19.8243 -19.8243 -19.7856 -19.7856 -18.9180 -18.9180 -18.7731 -18.7731 -5.1779 -5.1779 -3.8830 -3.8830 -2.5828 -2.5828 -2.5222 -2.5222 -2.4191 -2.4191 -1.2979 -1.2979 -0.8576 -0.8576 -0.3439 -0.3439 -0.1680 -0.1680 0.0882 0.0882 0.2148 0.2148 0.3682 0.3682 10.0590 10.0590 10.9622 10.9622 12.0277 12.0277 13.0270 13.0270 k = 0.1087 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9495 -47.9495 -21.1716 -21.1716 -21.0087 -21.0087 -19.9876 -19.9876 -19.8238 -19.8238 -19.7860 -19.7860 -18.9180 -18.9180 -18.7746 -18.7746 -5.2345 -5.2345 -3.8281 -3.8281 -2.5801 -2.5801 -2.5201 -2.5201 -2.4737 -2.4737 -1.2431 -1.2431 -0.8858 -0.8858 -0.3412 -0.3412 -0.1658 -0.1658 0.1041 0.1041 0.2172 0.2172 0.3557 0.3557 10.0716 10.0716 10.9858 10.9858 12.0412 12.0412 13.0557 13.0557 k = 0.1196 0.5000 0.2766 ( 4748 PWs) bands (ev): -47.9495 -47.9495 -21.1669 -21.1669 -21.0078 -21.0078 -19.9874 -19.9874 -19.8234 -19.8234 -19.7865 -19.7865 -18.9180 -18.9180 -18.7763 -18.7763 -5.2915 -5.2915 -3.7730 -3.7730 -2.5779 -2.5779 -2.5343 -2.5343 -2.5108 -2.5108 -1.1888 -1.1888 -0.9150 -0.9150 -0.3383 -0.3383 -0.1634 -0.1634 0.1199 0.1199 0.2197 0.2197 0.3421 0.3421 10.0855 10.0855 11.0117 11.0117 12.0561 12.0561 13.0872 13.0872 k = 0.1304 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9495 -47.9495 -21.1617 -21.1617 -21.0068 -21.0068 -19.9872 -19.9872 -19.8229 -19.8229 -19.7870 -19.7870 -18.9179 -18.9179 -18.7781 -18.7781 -5.3485 -5.3485 -3.7180 -3.7180 -2.5923 -2.5923 -2.5685 -2.5685 -2.5102 -2.5102 -1.1351 -1.1351 -0.9449 -0.9449 -0.3352 -0.3352 -0.1608 -0.1608 0.1355 0.1355 0.2225 0.2225 0.3275 0.3275 10.1007 10.1007 11.0401 11.0401 12.0724 12.0724 13.1212 13.1212 k = 0.1413 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9494 -47.9494 -21.1562 -21.1562 -21.0058 -21.0058 -19.9869 -19.9869 -19.8224 -19.8224 -19.7875 -19.7875 -18.9179 -18.9179 -18.7800 -18.7800 -5.4053 -5.4053 -3.6634 -3.6634 -2.6434 -2.6434 -2.5678 -2.5678 -2.5069 -2.5069 -1.0825 -1.0825 -0.9752 -0.9752 -0.3319 -0.3319 -0.1579 -0.1579 0.1507 0.1507 0.2256 0.2256 0.3120 0.3120 10.1170 10.1170 11.0708 11.0708 12.0900 12.0900 13.1577 13.1577 k = 0.1522 0.5000 0.2766 ( 4748 PWs) bands (ev): -47.9494 -47.9494 -21.1504 -21.1504 -21.0047 -21.0047 -19.9866 -19.9866 -19.8218 -19.8218 -19.7881 -19.7881 -18.9178 -18.9178 -18.7821 -18.7821 -5.4618 -5.4618 -3.6092 -3.6092 -2.6966 -2.6966 -2.5643 -2.5643 -2.5032 -2.5032 -1.0332 -1.0332 -1.0034 -1.0034 -0.3283 -0.3283 -0.1548 -0.1548 0.1654 0.1654 0.2290 0.2290 0.2957 0.2957 10.1345 10.1345 11.1037 11.1037 12.1090 12.1090 13.1965 13.1965 k = 0.1630 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9493 -47.9493 -21.1443 -21.1443 -21.0035 -21.0035 -19.9863 -19.9863 -19.8212 -19.8212 -19.7886 -19.7886 -18.9178 -18.9178 -18.7843 -18.7843 -5.5177 -5.5177 -3.5556 -3.5556 -2.7494 -2.7494 -2.5604 -2.5604 -2.4992 -2.4992 -1.0401 -1.0401 -0.9764 -0.9764 -0.3246 -0.3246 -0.1515 -0.1515 0.1792 0.1792 0.2326 0.2326 0.2785 0.2785 10.1532 10.1532 11.1390 11.1390 12.1292 12.1292 13.2375 13.2375 k = 0.1739 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9493 -47.9493 -21.1379 -21.1379 -21.0023 -21.0023 -19.9861 -19.9861 -19.8206 -19.8206 -19.7892 -19.7892 -18.9178 -18.9178 -18.7866 -18.7866 -5.5729 -5.5729 -3.5028 -3.5028 -2.8014 -2.8014 -2.5561 -2.5561 -2.4951 -2.4951 -1.0703 -1.0703 -0.9272 -0.9272 -0.3206 -0.3206 -0.1480 -0.1480 0.1922 0.1922 0.2364 0.2364 0.2609 0.2609 10.1730 10.1730 11.1764 11.1764 12.1508 12.1508 13.2806 13.2806 k = 0.1848 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9492 -47.9492 -21.1312 -21.1312 -21.0011 -21.0011 -19.9858 -19.9858 -19.8199 -19.8199 -19.7898 -19.7898 -18.9177 -18.9177 -18.7890 -18.7890 -5.6273 -5.6273 -3.4510 -3.4510 -2.8524 -2.8524 -2.5517 -2.5517 -2.4910 -2.4910 -1.1010 -1.1010 -0.8784 -0.8784 -0.3165 -0.3165 -0.1442 -0.1442 0.2040 0.2040 0.2381 0.2381 0.2452 0.2452 10.1938 10.1938 11.2160 11.2160 12.1736 12.1736 13.3257 13.3257 k = 0.1957 0.5000 0.2766 ( 4748 PWs) bands (ev): -47.9492 -47.9492 -21.1243 -21.1243 -20.9998 -20.9998 -19.9855 -19.9855 -19.8193 -19.8193 -19.7905 -19.7905 -18.9177 -18.9177 -18.7915 -18.7915 -5.6808 -5.6808 -3.4001 -3.4001 -2.9024 -2.9024 -2.5472 -2.5472 -2.4869 -2.4869 -1.1315 -1.1315 -0.8309 -0.8309 -0.3123 -0.3123 -0.1402 -0.1402 0.2142 0.2142 0.2226 0.2226 0.2472 0.2472 10.2156 10.2156 11.2577 11.2577 12.1976 12.1976 13.3727 13.3727 k = 0.2065 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9491 -47.9491 -21.1173 -21.1173 -20.9985 -20.9985 -19.9853 -19.9853 -19.8186 -19.8186 -19.7911 -19.7911 -18.9176 -18.9176 -18.7941 -18.7941 -5.7333 -5.7333 -3.3504 -3.3504 -2.9512 -2.9512 -2.5425 -2.5425 -2.4828 -2.4828 -1.1615 -1.1615 -0.7845 -0.7845 -0.3079 -0.3079 -0.1360 -0.1360 0.2027 0.2027 0.2239 0.2239 0.2528 0.2528 10.2385 10.2385 11.3015 11.3015 12.2229 12.2229 13.4213 13.4213 k = 0.2174 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9491 -47.9491 -21.1100 -21.1100 -20.9971 -20.9971 -19.9850 -19.9850 -19.8179 -19.8179 -19.7918 -19.7918 -18.9176 -18.9176 -18.7968 -18.7968 -5.7846 -5.7846 -3.3019 -3.3019 -2.9987 -2.9987 -2.5377 -2.5377 -2.4787 -2.4787 -1.1909 -1.1909 -0.7396 -0.7396 -0.3035 -0.3035 -0.1315 -0.1315 0.1830 0.1830 0.2315 0.2315 0.2592 0.2592 10.2622 10.2622 11.3473 11.3473 12.2493 12.2493 13.4715 13.4715 k = 0.2283 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9490 -47.9490 -21.1026 -21.1026 -20.9958 -20.9958 -19.9848 -19.9848 -19.8172 -19.8172 -19.7925 -19.7925 -18.9175 -18.9175 -18.7996 -18.7996 -5.8347 -5.8347 -3.2548 -3.2548 -3.0448 -3.0448 -2.5328 -2.5328 -2.4748 -2.4748 -1.2196 -1.2196 -0.6962 -0.6962 -0.2989 -0.2989 -0.1267 -0.1267 0.1629 0.1629 0.2380 0.2380 0.2660 0.2660 10.2869 10.2869 11.3949 11.3949 12.2768 12.2768 13.5231 13.5231 k = 0.2391 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9490 -47.9490 -21.0951 -21.0951 -20.9944 -20.9944 -19.9845 -19.9845 -19.8164 -19.8164 -19.7931 -19.7931 -18.9175 -18.9175 -18.8024 -18.8024 -5.8835 -5.8835 -3.2097 -3.2097 -3.0889 -3.0889 -2.5279 -2.5279 -2.4709 -2.4709 -1.2474 -1.2474 -0.6544 -0.6544 -0.2942 -0.2942 -0.1216 -0.1216 0.1426 0.1426 0.2436 0.2436 0.2729 0.2729 10.3124 10.3124 11.4444 11.4444 12.3055 12.3055 13.5759 13.5759 k = 0.2500 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9489 -47.9489 -21.0876 -21.0876 -20.9930 -20.9930 -19.9843 -19.9843 -19.8156 -19.8156 -19.7937 -19.7937 -18.9174 -18.9174 -18.8052 -18.8052 -5.9309 -5.9309 -3.1706 -3.1706 -3.1269 -3.1269 -2.5230 -2.5230 -2.4673 -2.4673 -1.2743 -1.2743 -0.6142 -0.6142 -0.2896 -0.2896 -0.1163 -0.1163 0.1222 0.1222 0.2486 0.2486 0.2796 0.2796 10.3386 10.3386 11.4956 11.4956 12.3352 12.3352 13.6299 13.6299 k = 0.2609 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9489 -47.9489 -21.0800 -21.0800 -20.9916 -20.9916 -19.9840 -19.9840 -19.8149 -19.8149 -19.7944 -19.7944 -18.9174 -18.9174 -18.8081 -18.8081 -5.9769 -5.9769 -3.1822 -3.1822 -3.1142 -3.1142 -2.5180 -2.5180 -2.4639 -2.4639 -1.3001 -1.3001 -0.5759 -0.5759 -0.2848 -0.2848 -0.1106 -0.1106 0.1018 0.1018 0.2532 0.2532 0.2858 0.2858 10.3655 10.3655 11.5484 11.5484 12.3659 12.3659 13.6848 13.6848 k = 0.2717 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9488 -47.9488 -21.0724 -21.0724 -20.9902 -20.9902 -19.9838 -19.9838 -19.8141 -19.8141 -19.7950 -19.7950 -18.9173 -18.9173 -18.8110 -18.8110 -6.0213 -6.0213 -3.2204 -3.2204 -3.0749 -3.0749 -2.5131 -2.5131 -2.4608 -2.4608 -1.3249 -1.3249 -0.5394 -0.5394 -0.2801 -0.2801 -0.1046 -0.1046 0.0815 0.0815 0.2575 0.2575 0.2916 0.2916 10.3931 10.3931 11.6028 11.6028 12.3975 12.3975 13.7058 13.7058 k = 0.2826 0.5000 0.2766 ( 4736 PWs) bands (ev): -47.9488 -47.9488 -21.0648 -21.0648 -20.9888 -20.9888 -19.9836 -19.9836 -19.8134 -19.8134 -19.7956 -19.7956 -18.9173 -18.9173 -18.8139 -18.8139 -6.0640 -6.0640 -3.2590 -3.2590 -3.0352 -3.0352 -2.5082 -2.5082 -2.4579 -2.4579 -1.3484 -1.3484 -0.5048 -0.5048 -0.2754 -0.2754 -0.0983 -0.0983 0.0615 0.0615 0.2615 0.2615 0.2968 0.2968 10.4212 10.4212 11.6586 11.6586 12.4300 12.4300 13.6232 13.6232 k = 0.2935 0.5000 0.2766 ( 4736 PWs) bands (ev): -47.9487 -47.9487 -21.0573 -21.0573 -20.9875 -20.9875 -19.9834 -19.9834 -19.8126 -19.8126 -19.7962 -19.7962 -18.9172 -18.9172 -18.8168 -18.8168 -6.1052 -6.1052 -3.2964 -3.2964 -2.9967 -2.9967 -2.5033 -2.5033 -2.4553 -2.4553 -1.3707 -1.3707 -0.4723 -0.4723 -0.2707 -0.2707 -0.0915 -0.0915 0.0417 0.0417 0.2654 0.2654 0.3014 0.3014 10.4498 10.4498 11.7156 11.7156 12.4632 12.4632 13.5416 13.5416 k = 0.3043 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9487 -47.9487 -21.0500 -21.0500 -20.9862 -20.9862 -19.9833 -19.9833 -19.8119 -19.8119 -19.7968 -19.7968 -18.9172 -18.9172 -18.8196 -18.8196 -6.1446 -6.1446 -3.3322 -3.3322 -2.9597 -2.9597 -2.4986 -2.4986 -2.4530 -2.4530 -1.3917 -1.3917 -0.4419 -0.4419 -0.2661 -0.2661 -0.0845 -0.0845 0.0223 0.0223 0.2691 0.2691 0.3054 0.3054 10.4787 10.4787 11.7737 11.7737 12.4972 12.4972 13.4615 13.4615 k = 0.3152 0.5000 0.2766 ( 4728 PWs) bands (ev): -47.9486 -47.9486 -21.0427 -21.0427 -20.9849 -20.9849 -19.9831 -19.9831 -19.8112 -19.8112 -19.7973 -19.7973 -18.9171 -18.9171 -18.8225 -18.8225 -6.1822 -6.1822 -3.3665 -3.3665 -2.9244 -2.9244 -2.4939 -2.4939 -2.4511 -2.4511 -1.4114 -1.4114 -0.4136 -0.4136 -0.2616 -0.2616 -0.0770 -0.0770 0.0035 0.0035 0.2726 0.2726 0.3088 0.3088 10.5079 10.5079 11.8328 11.8328 12.5317 12.5317 13.3830 13.3830 k = 0.3261 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9486 -47.9486 -21.0357 -21.0357 -20.9836 -20.9836 -19.9829 -19.9829 -19.8105 -19.8105 -19.7978 -19.7978 -18.9171 -18.9171 -18.8252 -18.8252 -6.2180 -6.2180 -3.3990 -3.3990 -2.8908 -2.8908 -2.4894 -2.4894 -2.4494 -2.4494 -1.4298 -1.4298 -0.3877 -0.3877 -0.2572 -0.2572 -0.0693 -0.0693 -0.0145 -0.0145 0.2760 0.2760 0.3118 0.3118 10.5372 10.5372 11.8925 11.8925 12.5667 12.5667 13.3067 13.3067 k = 0.3370 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9485 -47.9485 -21.0288 -21.0288 -20.9824 -20.9824 -19.9828 -19.9828 -19.8099 -19.8099 -19.7983 -19.7983 -18.9170 -18.9170 -18.8279 -18.8279 -6.2518 -6.2518 -3.4298 -3.4298 -2.8589 -2.8589 -2.4851 -2.4851 -2.4481 -2.4481 -1.4468 -1.4468 -0.3639 -0.3639 -0.2529 -0.2529 -0.0619 -0.0619 -0.0313 -0.0313 0.2791 0.2791 0.3142 0.3142 10.5665 10.5665 11.9528 11.9528 12.6020 12.6020 13.2326 13.2326 k = 0.3478 0.5000 0.2766 ( 4728 PWs) bands (ev): -47.9485 -47.9485 -21.0223 -21.0223 -20.9812 -20.9812 -19.9827 -19.9827 -19.8092 -19.8092 -19.7987 -19.7987 -18.9170 -18.9170 -18.8306 -18.8306 -6.2837 -6.2837 -3.4588 -3.4588 -2.8288 -2.8288 -2.4809 -2.4809 -2.4471 -2.4471 -1.4625 -1.4625 -0.3425 -0.3425 -0.2487 -0.2487 -0.0585 -0.0585 -0.0429 -0.0429 0.2821 0.2821 0.3163 0.3163 10.5956 10.5956 12.0133 12.0133 12.6375 12.6375 13.1610 13.1610 k = 0.3587 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9484 -47.9484 -21.0160 -21.0160 -20.9801 -20.9801 -19.9826 -19.9826 -19.8087 -19.8087 -19.7991 -19.7991 -18.9169 -18.9169 -18.8331 -18.8331 -6.3137 -6.3137 -3.4859 -3.4859 -2.8006 -2.8006 -2.4770 -2.4770 -2.4463 -2.4463 -1.4769 -1.4769 -0.3233 -0.3233 -0.2447 -0.2447 -0.0689 -0.0689 -0.0396 -0.0396 0.2848 0.2848 0.3180 0.3180 10.6244 10.6244 12.0737 12.0737 12.6729 12.6729 13.0924 13.0924 k = 0.3696 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9484 -47.9484 -21.0100 -21.0100 -20.9790 -20.9790 -19.9825 -19.9825 -19.8082 -19.8082 -19.7995 -19.7995 -18.9169 -18.9169 -18.8355 -18.8355 -6.3415 -6.3415 -3.5112 -3.5112 -2.7743 -2.7743 -2.4733 -2.4733 -2.4458 -2.4458 -1.4900 -1.4900 -0.3063 -0.3063 -0.2409 -0.2409 -0.0831 -0.0831 -0.0314 -0.0314 0.2873 0.2873 0.3193 0.3193 10.6527 10.6527 12.1336 12.1336 12.7080 12.7080 13.0269 13.0269 k = 0.3804 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9484 -47.9484 -21.0044 -21.0044 -20.9781 -20.9781 -19.9825 -19.9825 -19.8077 -19.8077 -19.7998 -19.7998 -18.9169 -18.9169 -18.8378 -18.8378 -6.3674 -6.3674 -3.5346 -3.5346 -2.7500 -2.7500 -2.4698 -2.4698 -2.4455 -2.4455 -1.5018 -1.5018 -0.2914 -0.2914 -0.2372 -0.2372 -0.0971 -0.0971 -0.0225 -0.0225 0.2895 0.2895 0.3205 0.3205 10.6803 10.6803 12.1927 12.1927 12.7427 12.7427 12.9648 12.9648 k = 0.3913 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9483 -47.9483 -20.9991 -20.9991 -20.9771 -20.9771 -19.9824 -19.9824 -19.8073 -19.8073 -19.8000 -19.8000 -18.9168 -18.9168 -18.8399 -18.8399 -6.3910 -6.3910 -3.5561 -3.5561 -2.7276 -2.7276 -2.4666 -2.4666 -2.4454 -2.4454 -1.5123 -1.5123 -0.2787 -0.2787 -0.2336 -0.2336 -0.1102 -0.1102 -0.0135 -0.0135 0.2915 0.2915 0.3214 0.3214 10.7069 10.7069 12.2505 12.2505 12.7765 12.7765 12.9065 12.9065 k = 0.4022 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9483 -47.9483 -20.9943 -20.9943 -20.9763 -20.9763 -19.9823 -19.9823 -19.8069 -19.8069 -19.8003 -19.8003 -18.9168 -18.9168 -18.8419 -18.8419 -6.4126 -6.4126 -3.5755 -3.5755 -2.7073 -2.7073 -2.4637 -2.4637 -2.4454 -2.4454 -1.5217 -1.5217 -0.2681 -0.2681 -0.2300 -0.2300 -0.1222 -0.1222 -0.0046 -0.0046 0.2932 0.2932 0.3222 0.3222 10.7323 10.7323 12.3065 12.3065 12.8090 12.8090 12.8524 12.8524 k = 0.4130 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9483 -47.9483 -20.9899 -20.9899 -20.9755 -20.9755 -19.9823 -19.9823 -19.8066 -19.8066 -19.8004 -19.8004 -18.9168 -18.9168 -18.8437 -18.8437 -6.4319 -6.4319 -3.5930 -3.5930 -2.6890 -2.6890 -2.4611 -2.4611 -2.4454 -2.4454 -1.5299 -1.5299 -0.2594 -0.2594 -0.2264 -0.2264 -0.1331 -0.1331 0.0038 0.0038 0.2947 0.2947 0.3228 0.3228 10.7563 10.7563 12.3599 12.3599 12.8019 12.8019 12.8408 12.8408 k = 0.4239 0.5000 0.2766 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -20.9860 -20.9860 -20.9748 -20.9748 -19.9822 -19.9822 -19.8064 -19.8064 -19.8005 -19.8005 -18.9167 -18.9167 -18.8453 -18.8453 -6.4490 -6.4490 -3.6085 -3.6085 -2.6728 -2.6728 -2.4589 -2.4589 -2.4455 -2.4455 -1.5370 -1.5370 -0.2527 -0.2527 -0.2226 -0.2226 -0.1428 -0.1428 0.0117 0.0117 0.2959 0.2959 0.3234 0.3234 10.7784 10.7784 12.4101 12.4101 12.7570 12.7570 12.8698 12.8698 k = 0.4348 0.5000 0.2766 ( 4740 PWs) bands (ev): -47.9482 -47.9482 -20.9825 -20.9825 -20.9742 -20.9742 -19.9822 -19.9822 -19.8062 -19.8062 -19.8006 -19.8006 -18.9167 -18.9167 -18.8467 -18.8467 -6.4640 -6.4640 -3.6220 -3.6220 -2.6587 -2.6587 -2.4572 -2.4572 -2.4455 -2.4455 -1.5430 -1.5430 -0.2478 -0.2478 -0.2188 -0.2188 -0.1513 -0.1513 0.0188 0.0188 0.2969 0.2969 0.3239 0.3239 10.7985 10.7985 12.4563 12.4563 12.7170 12.7170 12.8965 12.8965 k = 0.4457 0.5000 0.2766 ( 4744 PWs) bands (ev): -47.9482 -47.9482 -20.9796 -20.9796 -20.9736 -20.9736 -19.9822 -19.9822 -19.8061 -19.8061 -19.8006 -19.8006 -18.9167 -18.9167 -18.8480 -18.8480 -6.4766 -6.4766 -3.6334 -3.6334 -2.6467 -2.6467 -2.4558 -2.4558 -2.4454 -2.4454 -1.5481 -1.5481 -0.2444 -0.2444 -0.2150 -0.2150 -0.1585 -0.1585 0.0250 0.0250 0.2976 0.2976 0.3244 0.3244 10.8162 10.8162 12.4977 12.4977 12.6824 12.6824 12.9203 12.9203 k = 0.4565 0.5000 0.2766 ( 4752 PWs) bands (ev): -47.9482 -47.9482 -20.9772 -20.9772 -20.9731 -20.9731 -19.9822 -19.9822 -19.8061 -19.8061 -19.8006 -19.8006 -18.9167 -18.9167 -18.8490 -18.8490 -6.4870 -6.4870 -3.6427 -3.6427 -2.6369 -2.6369 -2.4548 -2.4548 -2.4453 -2.4453 -1.5521 -1.5521 -0.2422 -0.2422 -0.2114 -0.2114 -0.1645 -0.1645 0.0303 0.0303 0.2982 0.2982 0.3247 0.3247 10.8311 10.8311 12.5332 12.5332 12.6535 12.6535 12.9407 12.9407 k = 0.4674 0.5000 0.2766 ( 4756 PWs) bands (ev): -47.9482 -47.9482 -20.9755 -20.9755 -20.9726 -20.9726 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8498 -18.8498 -6.4951 -6.4951 -3.6500 -3.6500 -2.6293 -2.6293 -2.4542 -2.4542 -2.4450 -2.4450 -1.5553 -1.5553 -0.2408 -0.2408 -0.2082 -0.2082 -0.1693 -0.1693 0.0345 0.0345 0.2986 0.2986 0.3250 0.3250 10.8431 10.8431 12.5620 12.5620 12.6307 12.6307 12.9572 12.9572 k = 0.4783 0.5000 0.2766 ( 4756 PWs) bands (ev): -47.9482 -47.9482 -20.9743 -20.9743 -20.9721 -20.9721 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8503 -18.8503 -6.5008 -6.5008 -3.6552 -3.6552 -2.6238 -2.6238 -2.4538 -2.4538 -2.4448 -2.4448 -1.5575 -1.5575 -0.2400 -0.2400 -0.2057 -0.2057 -0.1729 -0.1729 0.0375 0.0375 0.2989 0.2989 0.3252 0.3252 10.8518 10.8518 12.5833 12.5833 12.6142 12.6142 12.9693 12.9693 k = 0.4891 0.5000 0.2766 ( 4764 PWs) bands (ev): -47.9482 -47.9482 -20.9737 -20.9737 -20.9717 -20.9717 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8507 -18.8507 -6.5043 -6.5043 -3.6584 -3.6584 -2.6206 -2.6206 -2.4536 -2.4536 -2.4446 -2.4446 -1.5588 -1.5588 -0.2397 -0.2397 -0.2040 -0.2040 -0.1752 -0.1752 0.0393 0.0393 0.2990 0.2990 0.3254 0.3254 10.8572 10.8572 12.5963 12.5963 12.6042 12.6042 12.9768 12.9768 k = 0.5000 0.5000 0.2766 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8508 -18.8508 -6.5055 -6.5055 -3.6594 -3.6594 -2.6195 -2.6195 -2.4536 -2.4536 -2.4445 -2.4445 -1.5592 -1.5592 -0.2395 -0.2395 -0.2034 -0.2034 -0.1760 -0.1760 0.0399 0.0399 0.2991 0.2991 0.3254 0.3254 10.8590 10.8590 12.6001 12.6001 12.6015 12.6015 12.9793 12.9793 k = 0.5000 0.5000 0.2766 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8508 -18.8508 -6.5055 -6.5055 -3.6594 -3.6594 -2.6195 -2.6195 -2.4536 -2.4536 -2.4445 -2.4445 -1.5592 -1.5592 -0.2395 -0.2395 -0.2034 -0.2034 -0.1760 -0.1760 0.0399 0.0399 0.2991 0.2991 0.3254 0.3254 10.8590 10.8590 12.6001 12.6001 12.6015 12.6015 12.9793 12.9793 k = 0.4922 0.4922 0.2766 ( 4762 PWs) bands (ev): -47.9482 -47.9482 -20.9738 -20.9738 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8507 -18.8507 -6.5043 -6.5043 -3.6583 -3.6583 -2.6206 -2.6206 -2.4537 -2.4537 -2.4445 -2.4445 -1.5588 -1.5588 -0.2397 -0.2397 -0.2040 -0.2040 -0.1752 -0.1752 0.0393 0.0393 0.2990 0.2990 0.3254 0.3254 10.8571 10.8571 12.5988 12.5988 12.6017 12.6017 12.9767 12.9767 k = 0.4844 0.4844 0.2766 ( 4750 PWs) bands (ev): -47.9482 -47.9482 -20.9754 -20.9754 -20.9711 -20.9711 -19.9822 -19.9822 -19.8059 -19.8059 -19.8006 -19.8006 -18.9167 -18.9167 -18.8503 -18.8503 -6.5007 -6.5007 -3.6551 -3.6551 -2.6240 -2.6240 -2.4545 -2.4545 -2.4441 -2.4441 -1.5574 -1.5574 -0.2400 -0.2400 -0.2056 -0.2056 -0.1730 -0.1730 0.0374 0.0374 0.2989 0.2989 0.3252 0.3252 10.8515 10.8515 12.5937 12.5937 12.6037 12.6037 12.9689 12.9689 k = 0.4766 0.4766 0.2766 ( 4758 PWs) bands (ev): -47.9482 -47.9482 -20.9784 -20.9784 -20.9698 -20.9698 -19.9822 -19.9822 -19.8060 -19.8060 -19.8007 -19.8007 -18.9167 -18.9167 -18.8497 -18.8497 -6.4947 -6.4947 -3.6497 -3.6497 -2.6297 -2.6297 -2.4569 -2.4569 -2.4423 -2.4423 -1.5552 -1.5552 -0.2407 -0.2407 -0.2079 -0.2079 -0.1697 -0.1697 0.0343 0.0343 0.2986 0.2986 0.3250 0.3250 10.8419 10.8419 12.5858 12.5858 12.6073 12.6073 12.9558 12.9558 k = 0.4688 0.4687 0.2766 ( 4750 PWs) bands (ev): -47.9482 -47.9482 -20.9827 -20.9827 -20.9678 -20.9678 -19.9822 -19.9822 -19.8060 -19.8060 -19.8007 -19.8007 -18.9167 -18.9167 -18.8489 -18.8489 -6.4864 -6.4864 -3.6421 -3.6421 -2.6376 -2.6376 -2.4611 -2.4611 -2.4389 -2.4389 -1.5521 -1.5521 -0.2418 -0.2418 -0.2105 -0.2105 -0.1658 -0.1658 0.0301 0.0301 0.2983 0.2983 0.3246 0.3246 10.8283 10.8283 12.5760 12.5760 12.6123 12.6123 12.9374 12.9374 k = 0.4609 0.4609 0.2766 ( 4742 PWs) bands (ev): -47.9482 -47.9482 -20.9883 -20.9883 -20.9652 -20.9652 -19.9822 -19.9822 -19.8060 -19.8060 -19.8007 -19.8007 -18.9167 -18.9167 -18.8479 -18.8479 -6.4757 -6.4757 -3.6324 -3.6324 -2.6477 -2.6477 -2.4668 -2.4668 -2.4340 -2.4340 -1.5482 -1.5482 -0.2435 -0.2435 -0.2132 -0.2132 -0.1613 -0.1613 0.0250 0.0250 0.2978 0.2978 0.3242 0.3242 10.8101 10.8101 12.5656 12.5656 12.6187 12.6187 12.9136 12.9136 k = 0.4531 0.4531 0.2766 ( 4742 PWs) bands (ev): -47.9482 -47.9482 -20.9951 -20.9951 -20.9619 -20.9619 -19.9822 -19.9822 -19.8061 -19.8061 -19.8007 -19.8007 -18.9168 -18.9168 -18.8466 -18.8466 -6.4628 -6.4628 -3.6206 -3.6206 -2.6601 -2.6601 -2.4740 -2.4740 -2.4279 -2.4279 -1.5435 -1.5435 -0.2457 -0.2457 -0.2159 -0.2159 -0.1565 -0.1565 0.0191 0.0191 0.2972 0.2972 0.3237 0.3237 10.7872 10.7872 12.5558 12.5558 12.6266 12.6266 12.8843 12.8843 k = 0.4453 0.4453 0.2766 ( 4732 PWs) bands (ev): -47.9482 -47.9482 -21.0031 -21.0031 -20.9581 -20.9581 -19.9822 -19.9822 -19.8062 -19.8062 -19.8007 -19.8007 -18.9168 -18.9168 -18.8451 -18.8451 -6.4476 -6.4476 -3.6065 -3.6065 -2.6748 -2.6748 -2.4825 -2.4825 -2.4205 -2.4205 -1.5381 -1.5381 -0.2487 -0.2487 -0.2187 -0.2187 -0.1513 -0.1513 0.0126 0.0126 0.2966 0.2966 0.3231 0.3231 10.7593 10.7593 12.5480 12.5480 12.6359 12.6359 12.8495 12.8495 k = 0.4375 0.4375 0.2766 ( 4744 PWs) bands (ev): -47.9483 -47.9483 -21.0123 -21.0123 -20.9538 -20.9538 -19.9823 -19.9823 -19.8063 -19.8063 -19.8007 -19.8007 -18.9169 -18.9169 -18.8434 -18.8434 -6.4302 -6.4302 -3.5903 -3.5903 -2.6917 -2.6917 -2.4921 -2.4921 -2.4120 -2.4120 -1.5320 -1.5320 -0.2523 -0.2523 -0.2217 -0.2217 -0.1458 -0.1458 0.0059 0.0059 0.2958 0.2958 0.3223 0.3223 10.7260 10.7260 12.5434 12.5434 12.6466 12.6466 12.8091 12.8091 k = 0.4297 0.4297 0.2766 ( 4748 PWs) bands (ev): -47.9483 -47.9483 -21.0225 -21.0225 -20.9489 -20.9489 -19.9823 -19.9823 -19.8065 -19.8065 -19.8008 -19.8008 -18.9170 -18.9170 -18.8416 -18.8416 -6.4106 -6.4106 -3.5720 -3.5720 -2.7108 -2.7108 -2.5028 -2.5028 -2.4023 -2.4023 -1.5253 -1.5253 -0.2566 -0.2566 -0.2254 -0.2254 -0.1401 -0.1401 -0.0006 -0.0006 0.2949 0.2949 0.3215 0.3215 10.6872 10.6872 12.5430 12.5430 12.6588 12.6588 12.7633 12.7633 k = 0.4219 0.4219 0.2766 ( 4746 PWs) bands (ev): -47.9483 -47.9483 -21.0338 -21.0338 -20.9434 -20.9434 -19.9823 -19.9823 -19.8066 -19.8066 -19.8008 -19.8008 -18.9171 -18.9171 -18.8395 -18.8395 -6.3889 -6.3889 -3.5515 -3.5515 -2.7321 -2.7321 -2.5144 -2.5144 -2.3915 -2.3915 -1.5179 -1.5179 -0.2614 -0.2614 -0.2300 -0.2300 -0.1340 -0.1340 -0.0067 -0.0067 0.2939 0.2939 0.3205 0.3205 10.6429 10.6429 12.5476 12.5476 12.6724 12.6724 12.7121 12.7121 k = 0.4141 0.4141 0.2766 ( 4738 PWs) bands (ev): -47.9484 -47.9484 -21.0462 -21.0462 -20.9374 -20.9374 -19.9823 -19.9823 -19.8067 -19.8067 -19.8007 -19.8007 -18.9173 -18.9173 -18.8373 -18.8373 -6.3652 -6.3652 -3.5289 -3.5289 -2.7555 -2.7555 -2.5270 -2.5270 -2.3795 -2.3795 -1.5101 -1.5101 -0.2667 -0.2667 -0.2358 -0.2358 -0.1277 -0.1277 -0.0119 -0.0119 0.2928 0.2928 0.3195 0.3195 10.5931 10.5931 12.5579 12.5579 12.6552 12.6552 12.6879 12.6879 k = 0.4062 0.4062 0.2766 ( 4746 PWs) bands (ev): -47.9484 -47.9484 -21.0596 -21.0596 -20.9309 -20.9309 -19.9824 -19.9824 -19.8069 -19.8069 -19.8007 -19.8007 -18.9175 -18.9175 -18.8350 -18.8350 -6.3396 -6.3396 -3.5041 -3.5041 -2.7811 -2.7811 -2.5405 -2.5405 -2.3665 -2.3665 -1.5017 -1.5017 -0.2725 -0.2725 -0.2432 -0.2432 -0.1212 -0.1212 -0.0159 -0.0159 0.2915 0.2915 0.3183 0.3183 10.5380 10.5380 12.5740 12.5740 12.5940 12.5940 12.7044 12.7044 k = 0.3984 0.3984 0.2766 ( 4742 PWs) bands (ev): -47.9485 -47.9485 -21.0738 -21.0738 -20.9238 -20.9238 -19.9824 -19.9824 -19.8071 -19.8071 -19.8006 -19.8006 -18.9178 -18.9178 -18.8324 -18.8324 -6.3121 -6.3121 -3.4772 -3.4772 -2.8088 -2.8088 -2.5546 -2.5546 -2.3524 -2.3524 -1.4929 -1.4929 -0.2787 -0.2787 -0.2524 -0.2524 -0.1143 -0.1143 -0.0185 -0.0185 0.2902 0.2902 0.3171 0.3171 10.4780 10.4780 12.5274 12.5274 12.5969 12.5969 12.7224 12.7224 k = 0.3906 0.3906 0.2766 ( 4742 PWs) bands (ev): -47.9485 -47.9485 -21.0890 -21.0890 -20.9163 -20.9163 -19.9824 -19.9824 -19.8073 -19.8073 -19.8006 -19.8006 -18.9181 -18.9181 -18.8298 -18.8298 -6.2828 -6.2828 -3.4481 -3.4481 -2.8385 -2.8385 -2.5695 -2.5695 -2.3372 -2.3372 -1.4836 -1.4836 -0.2853 -0.2853 -0.2635 -0.2635 -0.1071 -0.1071 -0.0194 -0.0194 0.2887 0.2887 0.3156 0.3156 10.4133 10.4133 12.4568 12.4568 12.6258 12.6258 12.7420 12.7420 k = 0.3828 0.3828 0.2766 ( 4742 PWs) bands (ev): -47.9486 -47.9486 -21.1050 -21.1050 -20.9083 -20.9083 -19.9824 -19.9824 -19.8075 -19.8075 -19.8005 -19.8005 -18.9185 -18.9185 -18.8271 -18.8271 -6.2519 -6.2519 -3.4170 -3.4170 -2.8702 -2.8702 -2.5850 -2.5850 -2.3210 -2.3210 -1.4740 -1.4740 -0.2922 -0.2922 -0.2764 -0.2764 -0.0996 -0.0996 -0.0186 -0.0186 0.2871 0.2871 0.3141 0.3141 10.3444 10.3444 12.3820 12.3820 12.6609 12.6609 12.7631 12.7631 k = 0.3750 0.3750 0.2766 ( 4742 PWs) bands (ev): -47.9486 -47.9486 -21.1218 -21.1218 -20.8998 -20.8998 -19.9824 -19.9824 -19.8077 -19.8077 -19.8003 -19.8003 -18.9189 -18.9189 -18.8242 -18.8242 -6.2193 -6.2193 -3.3837 -3.3837 -2.9038 -2.9038 -2.6011 -2.6011 -2.3037 -2.3037 -1.4640 -1.4640 -0.2996 -0.2996 -0.2911 -0.2911 -0.0918 -0.0918 -0.0163 -0.0163 0.2854 0.2854 0.3124 0.3124 10.2719 10.2719 12.3035 12.3035 12.7019 12.7019 12.7857 12.7857 k = 0.3672 0.3672 0.2766 ( 4750 PWs) bands (ev): -47.9487 -47.9487 -21.1394 -21.1394 -20.8909 -20.8909 -19.9824 -19.9824 -19.8079 -19.8079 -19.8002 -19.8002 -18.9194 -18.9194 -18.8213 -18.8213 -6.1852 -6.1852 -3.3484 -3.3484 -2.9393 -2.9393 -2.6176 -2.6176 -2.2855 -2.2855 -1.4537 -1.4537 -0.3084 -0.3084 -0.3063 -0.3063 -0.0837 -0.0837 -0.0124 -0.0124 0.2835 0.2835 0.3106 0.3106 10.1961 10.1961 12.2216 12.2216 12.7488 12.7488 12.8098 12.8098 k = 0.3594 0.3594 0.2766 ( 4746 PWs) bands (ev): -47.9487 -47.9487 -21.1576 -21.1576 -20.8815 -20.8815 -19.9824 -19.9824 -19.8081 -19.8081 -19.8001 -19.8001 -18.9200 -18.9200 -18.8183 -18.8183 -6.1497 -6.1497 -3.3110 -3.3110 -2.9766 -2.9766 -2.6345 -2.6345 -2.2662 -2.2662 -1.4431 -1.4431 -0.3254 -0.3254 -0.3150 -0.3150 -0.0751 -0.0751 -0.0072 -0.0072 0.2815 0.2815 0.3086 0.3086 10.1176 10.1176 12.1367 12.1367 12.8010 12.8010 12.8355 12.8355 k = 0.3516 0.3516 0.2766 ( 4746 PWs) bands (ev): -47.9488 -47.9488 -21.1764 -21.1764 -20.8717 -20.8717 -19.9823 -19.9823 -19.8083 -19.8083 -19.7999 -19.7999 -18.9207 -18.9207 -18.8153 -18.8153 -6.1129 -6.1129 -3.2717 -3.2717 -3.0155 -3.0155 -2.6519 -2.6519 -2.2460 -2.2460 -1.4321 -1.4321 -0.3441 -0.3441 -0.3233 -0.3233 -0.0662 -0.0662 -0.0008 -0.0008 0.2793 0.2793 0.3064 0.3064 10.0368 10.0368 12.0492 12.0492 12.8570 12.8570 12.8641 12.8641 k = 0.3438 0.3437 0.2766 ( 4750 PWs) bands (ev): -47.9488 -47.9488 -21.1958 -21.1958 -20.8616 -20.8616 -19.9823 -19.9823 -19.8085 -19.8085 -19.7997 -19.7997 -18.9215 -18.9215 -18.8122 -18.8122 -6.0750 -6.0750 -3.2306 -3.2306 -3.0558 -3.0558 -2.6695 -2.6695 -2.2249 -2.2249 -1.4209 -1.4209 -0.3638 -0.3638 -0.3320 -0.3320 -0.0569 -0.0569 0.0066 0.0066 0.2768 0.2768 0.3040 0.3040 9.9541 9.9541 11.9593 11.9593 12.8908 12.8908 12.9212 12.9212 k = 0.3359 0.3359 0.2766 ( 4756 PWs) bands (ev): -47.9489 -47.9489 -21.2156 -21.2156 -20.8510 -20.8510 -19.9822 -19.9822 -19.8087 -19.8087 -19.7995 -19.7995 -18.9223 -18.9223 -18.8090 -18.8090 -6.0359 -6.0359 -3.1886 -3.1886 -3.0967 -3.0967 -2.6874 -2.6874 -2.2029 -2.2029 -1.4093 -1.4093 -0.3843 -0.3843 -0.3409 -0.3409 -0.0473 -0.0473 0.0149 0.0149 0.2742 0.2742 0.3014 0.3014 9.8700 9.8700 11.8674 11.8674 12.9212 12.9212 12.9878 12.9878 k = 0.3281 0.3281 0.2766 ( 4760 PWs) bands (ev): -47.9490 -47.9490 -21.2360 -21.2360 -20.8402 -20.8402 -19.9822 -19.9822 -19.8088 -19.8088 -19.7993 -19.7993 -18.9233 -18.9233 -18.8059 -18.8059 -5.9959 -5.9959 -3.1588 -3.1588 -3.1248 -3.1248 -2.7055 -2.7055 -2.1800 -2.1800 -1.3975 -1.3975 -0.4052 -0.4052 -0.3501 -0.3501 -0.0373 -0.0373 0.0239 0.0239 0.2714 0.2714 0.2986 0.2986 9.7848 9.7848 11.7738 11.7738 12.9531 12.9531 13.0586 13.0586 k = 0.3203 0.3203 0.2766 ( 4752 PWs) bands (ev): -47.9490 -47.9490 -21.2567 -21.2567 -20.8290 -20.8290 -19.9820 -19.9820 -19.8089 -19.8089 -19.7991 -19.7991 -18.9244 -18.9244 -18.8027 -18.8027 -5.9550 -5.9550 -3.1918 -3.1918 -3.0895 -3.0895 -2.7237 -2.7237 -2.1562 -2.1562 -1.3854 -1.3854 -0.4264 -0.4264 -0.3596 -0.3596 -0.0269 -0.0269 0.0335 0.0335 0.2684 0.2684 0.2956 0.2956 9.6988 9.6988 11.6788 11.6788 12.9865 12.9865 13.1333 13.1333 k = 0.3125 0.3125 0.2766 ( 4756 PWs) bands (ev): -47.9491 -47.9491 -21.2777 -21.2777 -20.8175 -20.8175 -19.9819 -19.9819 -19.8090 -19.8090 -19.7988 -19.7988 -18.9256 -18.9256 -18.7995 -18.7995 -5.9134 -5.9134 -3.2370 -3.2370 -3.0416 -3.0416 -2.7421 -2.7421 -2.1316 -2.1316 -1.3729 -1.3729 -0.4478 -0.4478 -0.3694 -0.3694 -0.0162 -0.0162 0.0437 0.0437 0.2651 0.2651 0.2923 0.2923 9.6123 9.6123 11.5827 11.5827 13.0215 13.0215 13.2114 13.2114 k = 0.3047 0.3047 0.2766 ( 4744 PWs) bands (ev): -47.9492 -47.9492 -21.2990 -21.2990 -20.8057 -20.8057 -19.9818 -19.9818 -19.8090 -19.8090 -19.7985 -19.7985 -18.9269 -18.9269 -18.7963 -18.7963 -5.8711 -5.8711 -3.2841 -3.2841 -2.9910 -2.9910 -2.7605 -2.7605 -2.1062 -2.1062 -1.3601 -1.3601 -0.4692 -0.4692 -0.3794 -0.3794 -0.0052 -0.0052 0.0543 0.0543 0.2615 0.2615 0.2888 0.2888 9.5256 9.5256 11.4857 11.4857 13.0581 13.0581 13.2927 13.2927 k = 0.2969 0.2969 0.2766 ( 4754 PWs) bands (ev): -47.9493 -47.9493 -21.3205 -21.3205 -20.7936 -20.7936 -19.9816 -19.9816 -19.8091 -19.8091 -19.7983 -19.7983 -18.9283 -18.9283 -18.7932 -18.7932 -5.8284 -5.8284 -3.3326 -3.3326 -2.9385 -2.9385 -2.7788 -2.7788 -2.0801 -2.0801 -1.3470 -1.3470 -0.4907 -0.4907 -0.3897 -0.3897 0.0061 0.0061 0.0653 0.0653 0.2576 0.2576 0.2850 0.2850 9.4389 9.4389 11.3880 11.3880 13.0962 13.0962 13.3768 13.3768 k = 0.2891 0.2891 0.2766 ( 4754 PWs) bands (ev): -47.9493 -47.9493 -21.3422 -21.3422 -20.7814 -20.7814 -19.9815 -19.9815 -19.8091 -19.8091 -19.7980 -19.7980 -18.9298 -18.9298 -18.7900 -18.7900 -5.7852 -5.7852 -3.3820 -3.3820 -2.8845 -2.8845 -2.7969 -2.7969 -2.0533 -2.0533 -1.3336 -1.3336 -0.5119 -0.5119 -0.4003 -0.4003 0.0177 0.0177 0.0766 0.0766 0.2534 0.2534 0.2810 0.2810 9.3526 9.3526 11.2899 11.2899 13.1360 13.1360 13.4634 13.4634 k = 0.2812 0.2812 0.2766 ( 4758 PWs) bands (ev): -47.9494 -47.9494 -21.3639 -21.3639 -20.7689 -20.7689 -19.9813 -19.9813 -19.8091 -19.8091 -19.7977 -19.7977 -18.9314 -18.9314 -18.7869 -18.7869 -5.7417 -5.7417 -3.4323 -3.4323 -2.8332 -2.8332 -2.8105 -2.8105 -2.0258 -2.0258 -1.3198 -1.3198 -0.5330 -0.5330 -0.4111 -0.4111 0.0295 0.0295 0.0882 0.0882 0.2489 0.2489 0.2766 0.2766 9.2667 9.2667 11.1917 11.1917 13.1773 13.1773 13.5521 13.5521 k = 0.2734 0.2734 0.2766 ( 4758 PWs) bands (ev): -47.9495 -47.9495 -21.3858 -21.3858 -20.7563 -20.7563 -19.9810 -19.9810 -19.8090 -19.8090 -19.7973 -19.7973 -18.9332 -18.9332 -18.7838 -18.7838 -5.6980 -5.6980 -3.4833 -3.4833 -2.8365 -2.8365 -2.7679 -2.7679 -1.9977 -1.9977 -1.3056 -1.3056 -0.5537 -0.5537 -0.4221 -0.4221 0.0416 0.0416 0.1000 0.1000 0.2439 0.2439 0.2719 0.2719 9.1814 9.1814 11.0934 11.0934 13.2203 13.2203 13.6426 13.6426 k = 0.2656 0.2656 0.2766 ( 4754 PWs) bands (ev): -47.9496 -47.9496 -21.4076 -21.4076 -20.7436 -20.7436 -19.9808 -19.9808 -19.8089 -19.8089 -19.7969 -19.7969 -18.9351 -18.9351 -18.7807 -18.7807 -5.6542 -5.6542 -3.5348 -3.5348 -2.8541 -2.8541 -2.7096 -2.7096 -1.9689 -1.9689 -1.2910 -1.2910 -0.5741 -0.5741 -0.4333 -0.4333 0.0538 0.0538 0.1120 0.1120 0.2386 0.2386 0.2670 0.2670 9.0970 9.0970 10.9953 10.9953 13.2649 13.2649 13.7346 13.7346 k = 0.2578 0.2578 0.2766 ( 4754 PWs) bands (ev): -47.9496 -47.9496 -21.4293 -21.4293 -20.7307 -20.7307 -19.9805 -19.9805 -19.8088 -19.8088 -19.7965 -19.7965 -18.9370 -18.9370 -18.7777 -18.7777 -5.6105 -5.6105 -3.5867 -3.5867 -2.8721 -2.8721 -2.6493 -2.6493 -1.9396 -1.9396 -1.2760 -1.2760 -0.5940 -0.5940 -0.4448 -0.4448 0.0663 0.0663 0.1241 0.1241 0.2329 0.2329 0.2616 0.2616 9.0136 9.0136 10.8977 10.8977 13.3111 13.3111 13.8277 13.8277 k = 0.2500 0.2500 0.2766 ( 4762 PWs) bands (ev): -47.9497 -47.9497 -21.4510 -21.4510 -20.7178 -20.7178 -19.9803 -19.9803 -19.8087 -19.8087 -19.7961 -19.7961 -18.9391 -18.9391 -18.7748 -18.7748 -5.5668 -5.5668 -3.6388 -3.6388 -2.8901 -2.8901 -2.5877 -2.5877 -1.9099 -1.9099 -1.2607 -1.2607 -0.6135 -0.6135 -0.4564 -0.4564 0.0788 0.0788 0.1363 0.1363 0.2268 0.2268 0.2560 0.2560 8.9314 8.9314 10.8006 10.8006 13.3588 13.3588 13.9214 13.9214 k = 0.2422 0.2422 0.2766 ( 4758 PWs) bands (ev): -47.9498 -47.9498 -21.4725 -21.4725 -20.7048 -20.7048 -19.9799 -19.9799 -19.8085 -19.8085 -19.7956 -19.7956 -18.9413 -18.9413 -18.7719 -18.7719 -5.5234 -5.5234 -3.6910 -3.6910 -2.9079 -2.9079 -2.5250 -2.5250 -1.8796 -1.8796 -1.2448 -1.2448 -0.6324 -0.6324 -0.4682 -0.4682 0.0915 0.0915 0.1485 0.1485 0.2202 0.2202 0.2499 0.2499 8.8504 8.8504 10.7042 10.7042 13.4082 13.4082 14.0153 14.0153 k = 0.2344 0.2344 0.2766 ( 4754 PWs) bands (ev): -47.9499 -47.9499 -21.4938 -21.4938 -20.6918 -20.6918 -19.9796 -19.9796 -19.8083 -19.8083 -19.7951 -19.7951 -18.9436 -18.9436 -18.7691 -18.7691 -5.4803 -5.4803 -3.7432 -3.7432 -2.9256 -2.9256 -2.4612 -2.4612 -1.8489 -1.8489 -1.2286 -1.2286 -0.6509 -0.6509 -0.4802 -0.4802 0.1043 0.1043 0.1607 0.1607 0.2132 0.2132 0.2435 0.2435 8.7709 8.7709 10.6088 10.6088 13.4592 13.4592 14.1090 14.1090 k = 0.2266 0.2266 0.2766 ( 4758 PWs) bands (ev): -47.9499 -47.9499 -21.5148 -21.5148 -20.6788 -20.6788 -19.9793 -19.9793 -19.8081 -19.8081 -19.7946 -19.7946 -18.9460 -18.9460 -18.7663 -18.7663 -5.4376 -5.4376 -3.7952 -3.7952 -2.9430 -2.9430 -2.3967 -2.3967 -1.8179 -1.8179 -1.2119 -1.2119 -0.6688 -0.6688 -0.4923 -0.4923 0.1171 0.1171 0.1728 0.1728 0.2057 0.2057 0.2368 0.2368 8.6929 8.6929 10.5144 10.5144 13.5117 13.5117 14.2020 14.2020 k = 0.2188 0.2187 0.2766 ( 4754 PWs) bands (ev): -47.9500 -47.9500 -21.5355 -21.5355 -20.6659 -20.6659 -19.9789 -19.9789 -19.8079 -19.8079 -19.7940 -19.7940 -18.9485 -18.9485 -18.7636 -18.7636 -5.3953 -5.3953 -3.8469 -3.8469 -2.9601 -2.9601 -2.3314 -2.3314 -1.7866 -1.7866 -1.1948 -1.1948 -0.6861 -0.6861 -0.5045 -0.5045 0.1300 0.1300 0.1848 0.1848 0.1979 0.1979 0.2297 0.2297 8.6166 8.6166 10.4213 10.4213 13.5657 13.5657 14.2760 14.2760 k = 0.2109 0.2109 0.2766 ( 4752 PWs) bands (ev): -47.9501 -47.9501 -21.5560 -21.5560 -20.6530 -20.6530 -19.9785 -19.9785 -19.8077 -19.8077 -19.7934 -19.7934 -18.9511 -18.9511 -18.7610 -18.7610 -5.3537 -5.3537 -3.8982 -3.8982 -2.9769 -2.9769 -2.2656 -2.2656 -1.7550 -1.7550 -1.1773 -1.1773 -0.7028 -0.7028 -0.5169 -0.5169 0.1428 0.1428 0.1891 0.1891 0.1969 0.1969 0.2224 0.2224 8.5420 8.5420 10.3295 10.3295 13.6213 13.6213 14.2288 14.2288 k = 0.2031 0.2031 0.2766 ( 4750 PWs) bands (ev): -47.9502 -47.9502 -21.5760 -21.5760 -20.6403 -20.6403 -19.9781 -19.9781 -19.8074 -19.8074 -19.7928 -19.7928 -18.9537 -18.9537 -18.7584 -18.7584 -5.3127 -5.3127 -3.9489 -3.9489 -2.9934 -2.9934 -2.1994 -2.1994 -1.7232 -1.7232 -1.1593 -1.1593 -0.7189 -0.7189 -0.5293 -0.5293 0.1555 0.1555 0.1804 0.1804 0.2063 0.2063 0.2168 0.2168 8.4693 8.4693 10.2393 10.2393 13.6784 13.6784 14.1796 14.1796 k = 0.1953 0.1953 0.2766 ( 4742 PWs) bands (ev): -47.9502 -47.9502 -21.5956 -21.5956 -20.6277 -20.6277 -19.9777 -19.9777 -19.8071 -19.8071 -19.7921 -19.7921 -18.9564 -18.9564 -18.7559 -18.7559 -5.2725 -5.2725 -3.9988 -3.9988 -3.0096 -3.0096 -2.1331 -2.1331 -1.6913 -1.6913 -1.1409 -1.1409 -0.7344 -0.7344 -0.5418 -0.5418 0.1678 0.1678 0.1712 0.1712 0.2038 0.2038 0.2228 0.2228 8.3985 8.3985 10.1508 10.1508 13.7369 13.7369 14.1292 14.1292 k = 0.1875 0.1875 0.2766 ( 4746 PWs) bands (ev): -47.9503 -47.9503 -21.6147 -21.6147 -20.6152 -20.6152 -19.9774 -19.9774 -19.8069 -19.8069 -19.7914 -19.7914 -18.9591 -18.9591 -18.7535 -18.7535 -5.2331 -5.2331 -4.0479 -4.0479 -3.0254 -3.0254 -2.0667 -2.0667 -1.6594 -1.6594 -1.1222 -1.1222 -0.7493 -0.7493 -0.5543 -0.5543 0.1613 0.1613 0.1792 0.1792 0.1968 0.1968 0.2338 0.2338 8.3298 8.3298 10.0642 10.0642 13.7967 13.7967 14.0780 14.0780 k = 0.1797 0.1797 0.2766 ( 4746 PWs) bands (ev): -47.9504 -47.9504 -21.6334 -21.6334 -20.6030 -20.6030 -19.9770 -19.9770 -19.8066 -19.8066 -19.7907 -19.7907 -18.9619 -18.9619 -18.7512 -18.7512 -5.1946 -5.1946 -4.0960 -4.0960 -3.0407 -3.0407 -2.0005 -2.0005 -1.6275 -1.6275 -1.1031 -1.1031 -0.7636 -0.7636 -0.5669 -0.5669 0.1511 0.1511 0.1819 0.1819 0.1972 0.1972 0.2450 0.2450 8.2632 8.2632 9.9796 9.9796 13.8579 13.8579 14.0263 14.0263 k = 0.1719 0.1719 0.2766 ( 4746 PWs) bands (ev): -47.9504 -47.9504 -21.6515 -21.6515 -20.5910 -20.5910 -19.9766 -19.9766 -19.8064 -19.8064 -19.7899 -19.7899 -18.9647 -18.9647 -18.7489 -18.7489 -5.1571 -5.1571 -4.1431 -4.1431 -3.0556 -3.0556 -1.9346 -1.9346 -1.5956 -1.5956 -1.0836 -1.0836 -0.7772 -0.7772 -0.5796 -0.5796 0.1405 0.1405 0.1738 0.1738 0.2077 0.2077 0.2561 0.2561 8.1989 8.1989 9.8971 9.8971 13.9201 13.9201 13.9747 13.9747 k = 0.1641 0.1641 0.2766 ( 4750 PWs) bands (ev): -47.9505 -47.9505 -21.6690 -21.6690 -20.5793 -20.5793 -19.9762 -19.9762 -19.8061 -19.8061 -19.7891 -19.7891 -18.9676 -18.9676 -18.7468 -18.7468 -5.1207 -5.1207 -4.1889 -4.1889 -3.0701 -3.0701 -1.8694 -1.8694 -1.5639 -1.5639 -1.0638 -1.0638 -0.7902 -0.7902 -0.5922 -0.5922 0.1295 0.1295 0.1638 0.1638 0.2194 0.2194 0.2670 0.2670 8.1369 8.1369 9.8169 9.8169 13.9225 13.9225 13.9844 13.9844 k = 0.1562 0.1562 0.2766 ( 4750 PWs) bands (ev): -47.9506 -47.9506 -21.6860 -21.6860 -20.5679 -20.5679 -19.9758 -19.9758 -19.8059 -19.8059 -19.7882 -19.7882 -18.9704 -18.9704 -18.7447 -18.7447 -5.0853 -5.0853 -4.2334 -4.2334 -3.0841 -3.0841 -1.8048 -1.8048 -1.5325 -1.5325 -1.0438 -1.0438 -0.8026 -0.8026 -0.6048 -0.6048 0.1181 0.1181 0.1532 0.1532 0.2310 0.2310 0.2777 0.2777 8.0772 8.0772 9.7392 9.7392 13.8715 13.8715 14.0489 14.0489 k = 0.1484 0.1484 0.2766 ( 4746 PWs) bands (ev): -47.9506 -47.9506 -21.7023 -21.7023 -20.5568 -20.5568 -19.9754 -19.9754 -19.8056 -19.8056 -19.7874 -19.7874 -18.9732 -18.9732 -18.7427 -18.7427 -5.0512 -5.0512 -4.2764 -4.2764 -3.0975 -3.0975 -1.7412 -1.7412 -1.5014 -1.5014 -1.0236 -1.0236 -0.8143 -0.8143 -0.6175 -0.6175 0.1064 0.1064 0.1420 0.1420 0.2425 0.2425 0.2881 0.2881 8.0200 8.0200 9.6640 9.6640 13.8212 13.8212 14.1145 14.1145 k = 0.1406 0.1406 0.2766 ( 4750 PWs) bands (ev): -47.9507 -47.9507 -21.7180 -21.7180 -20.5461 -20.5461 -19.9750 -19.9750 -19.8054 -19.8054 -19.7865 -19.7865 -18.9760 -18.9760 -18.7408 -18.7408 -5.0184 -5.0184 -4.3179 -4.3179 -3.1104 -3.1104 -1.6787 -1.6787 -1.4707 -1.4707 -1.0033 -1.0033 -0.8254 -0.8254 -0.6301 -0.6301 0.0944 0.0944 0.1304 0.1304 0.2536 0.2536 0.2981 0.2981 7.9653 7.9653 9.5916 9.5916 13.7719 13.7719 14.1809 14.1809 k = 0.1328 0.1328 0.2766 ( 4754 PWs) bands (ev): -47.9507 -47.9507 -21.7329 -21.7329 -20.5358 -20.5358 -19.9747 -19.9747 -19.8052 -19.8052 -19.7856 -19.7856 -18.9788 -18.9788 -18.7390 -18.7390 -4.9869 -4.9869 -4.3578 -4.3578 -3.1228 -3.1228 -1.6176 -1.6176 -1.4405 -1.4405 -0.9829 -0.9829 -0.8358 -0.8358 -0.6427 -0.6427 0.0822 0.0822 0.1184 0.1184 0.2644 0.2644 0.3078 0.3078 7.9131 7.9131 9.5220 9.5220 13.7238 13.7238 14.2478 14.2478 k = 0.1250 0.1250 0.2766 ( 4756 PWs) bands (ev): -47.9508 -47.9508 -21.7472 -21.7472 -20.5259 -20.5259 -19.9743 -19.9743 -19.8050 -19.8050 -19.7848 -19.7848 -18.9815 -18.9815 -18.7373 -18.7373 -4.9568 -4.9568 -4.3959 -4.3959 -3.1346 -3.1346 -1.5579 -1.5579 -1.4109 -1.4109 -0.9626 -0.9626 -0.8455 -0.8455 -0.6553 -0.6553 0.0698 0.0698 0.1062 0.1062 0.2747 0.2747 0.3172 0.3172 7.8637 7.8637 9.4555 9.4555 13.6772 13.6772 14.3152 14.3152 k = 0.1172 0.1172 0.2766 ( 4764 PWs) bands (ev): -47.9509 -47.9509 -21.7607 -21.7607 -20.5164 -20.5164 -19.9740 -19.9740 -19.8048 -19.8048 -19.7839 -19.7839 -18.9842 -18.9842 -18.7357 -18.7357 -4.9282 -4.9282 -4.4321 -4.4321 -3.1457 -3.1457 -1.5001 -1.5001 -1.3820 -1.3820 -0.9425 -0.9425 -0.8545 -0.8545 -0.6679 -0.6679 0.0572 0.0572 0.0938 0.0938 0.2846 0.2846 0.3261 0.3261 7.8169 7.8169 9.3921 9.3921 13.6323 13.6323 14.3828 14.3828 k = 0.1094 0.1094 0.2766 ( 4764 PWs) bands (ev): -47.9509 -47.9509 -21.7734 -21.7734 -20.5074 -20.5074 -19.9737 -19.9737 -19.8046 -19.8046 -19.7830 -19.7830 -18.9867 -18.9867 -18.7342 -18.7342 -4.9011 -4.9011 -4.4665 -4.4665 -3.1563 -3.1563 -1.4441 -1.4441 -1.3539 -1.3539 -0.9228 -0.9228 -0.8626 -0.8626 -0.6804 -0.6804 0.0446 0.0446 0.0812 0.0812 0.2941 0.2941 0.3347 0.3347 7.7729 7.7729 9.3321 9.3321 13.5894 13.5894 14.4501 14.4501 k = 0.1016 0.1016 0.2766 ( 4764 PWs) bands (ev): -47.9510 -47.9510 -21.7854 -21.7854 -20.4990 -20.4990 -19.9733 -19.9733 -19.8044 -19.8044 -19.7822 -19.7822 -18.9892 -18.9892 -18.7328 -18.7328 -4.8756 -4.8756 -4.4988 -4.4988 -3.1662 -3.1662 -1.3903 -1.3903 -1.3267 -1.3267 -0.9043 -0.9043 -0.8692 -0.8692 -0.6931 -0.6931 0.0321 0.0321 0.0686 0.0686 0.3030 0.3030 0.3428 0.3428 7.7316 7.7316 9.2754 9.2754 13.5485 13.5485 14.5171 14.5171 k = 0.0938 0.0937 0.2766 ( 4766 PWs) bands (ev): -47.9510 -47.9510 -21.7966 -21.7966 -20.4910 -20.4910 -19.9731 -19.9731 -19.8042 -19.8042 -19.7813 -19.7813 -18.9915 -18.9915 -18.7315 -18.7315 -4.8517 -4.8517 -4.5290 -4.5290 -3.1755 -3.1755 -1.3392 -1.3392 -1.3000 -1.3000 -0.8909 -0.8909 -0.8705 -0.8705 -0.7057 -0.7057 0.0196 0.0196 0.0560 0.0560 0.3113 0.3113 0.3505 0.3505 7.6933 7.6933 9.2224 9.2224 13.5099 13.5099 14.5831 14.5831 k = 0.0859 0.0859 0.2766 ( 4762 PWs) bands (ev): -47.9510 -47.9510 -21.8069 -21.8069 -20.4836 -20.4836 -19.9728 -19.9728 -19.8040 -19.8040 -19.7805 -19.7805 -18.9937 -18.9937 -18.7303 -18.7303 -4.8296 -4.8296 -4.5571 -4.5571 -3.1841 -3.1841 -1.2926 -1.2926 -1.2724 -1.2724 -0.8904 -0.8904 -0.8588 -0.8588 -0.7185 -0.7185 0.0074 0.0074 0.0437 0.0437 0.3191 0.3191 0.3577 0.3577 7.6579 7.6579 9.1730 9.1730 13.4738 13.4738 14.6479 14.6479 k = 0.0781 0.0781 0.2766 ( 4770 PWs) bands (ev): -47.9511 -47.9511 -21.8164 -21.8164 -20.4767 -20.4767 -19.9726 -19.9726 -19.8039 -19.8039 -19.7797 -19.7797 -18.9958 -18.9958 -18.7292 -18.7292 -4.8092 -4.8092 -4.5829 -4.5829 -3.1920 -3.1920 -1.2586 -1.2586 -1.2360 -1.2360 -0.8950 -0.8950 -0.8423 -0.8423 -0.7314 -0.7314 -0.0046 -0.0046 0.0317 0.0317 0.3262 0.3262 0.3644 0.3644 7.6253 7.6253 9.1275 9.1275 13.4403 13.4403 14.7108 14.7108 k = 0.0703 0.0703 0.2766 ( 4766 PWs) bands (ev): -47.9511 -47.9511 -21.8250 -21.8250 -20.4705 -20.4705 -19.9723 -19.9723 -19.8037 -19.8037 -19.7790 -19.7790 -18.9977 -18.9977 -18.7282 -18.7282 -4.7906 -4.7906 -4.6065 -4.6065 -3.1991 -3.1991 -1.2348 -1.2348 -1.1935 -1.1935 -0.8999 -0.8999 -0.8256 -0.8256 -0.7444 -0.7444 -0.0161 -0.0161 0.0201 0.0201 0.3327 0.3327 0.3706 0.3706 7.5958 7.5958 9.0859 9.0859 13.4095 13.4095 14.7712 14.7712 k = 0.0625 0.0625 0.2766 ( 4756 PWs) bands (ev): -47.9511 -47.9511 -21.8328 -21.8328 -20.4648 -20.4648 -19.9721 -19.9721 -19.8036 -19.8036 -19.7783 -19.7783 -18.9995 -18.9995 -18.7273 -18.7273 -4.7738 -4.7738 -4.6276 -4.6276 -3.2056 -3.2056 -1.2143 -1.2143 -1.1520 -1.1520 -0.9045 -0.9045 -0.8099 -0.8099 -0.7575 -0.7575 -0.0270 -0.0270 0.0092 0.0092 0.3386 0.3386 0.3762 0.3762 7.5693 7.5693 9.0483 9.0483 13.3816 13.3816 14.8286 14.8286 k = 0.0547 0.0547 0.2766 ( 4760 PWs) bands (ev): -47.9512 -47.9512 -21.8397 -21.8397 -20.4598 -20.4598 -19.9719 -19.9719 -19.8035 -19.8035 -19.7777 -19.7777 -19.0011 -19.0011 -18.7265 -18.7265 -4.7589 -4.7589 -4.6464 -4.6464 -3.2114 -3.2114 -1.1960 -1.1960 -1.1129 -1.1129 -0.9086 -0.9086 -0.7963 -0.7963 -0.7701 -0.7701 -0.0371 -0.0371 -0.0010 -0.0010 0.3438 0.3438 0.3813 0.3813 7.5458 7.5458 9.0149 9.0149 13.3567 13.3567 14.8821 14.8821 k = 0.0469 0.0469 0.2766 ( 4752 PWs) bands (ev): -47.9512 -47.9512 -21.8456 -21.8456 -20.4554 -20.4554 -19.9717 -19.9717 -19.8034 -19.8034 -19.7771 -19.7771 -19.0025 -19.0025 -18.7258 -18.7258 -4.7460 -4.7460 -4.6627 -4.6627 -3.2163 -3.2163 -1.1798 -1.1798 -1.0763 -1.0763 -0.9122 -0.9122 -0.7923 -0.7923 -0.7749 -0.7749 -0.0465 -0.0465 -0.0102 -0.0102 0.3483 0.3483 0.3857 0.3857 7.5255 7.5255 8.9858 8.9858 13.3349 13.3349 14.9310 14.9310 k = 0.0391 0.0391 0.2766 ( 4748 PWs) bands (ev): -47.9512 -47.9512 -21.8507 -21.8507 -20.4517 -20.4517 -19.9716 -19.9716 -19.8033 -19.8033 -19.7766 -19.7766 -19.0037 -19.0037 -18.7252 -18.7252 -4.7352 -4.7352 -4.6765 -4.6765 -3.2206 -3.2206 -1.1659 -1.1659 -1.0424 -1.0424 -0.9150 -0.9150 -0.8040 -0.8040 -0.7662 -0.7662 -0.0547 -0.0547 -0.0183 -0.0183 0.3522 0.3522 0.3895 0.3895 7.5082 7.5082 8.9610 8.9610 13.3162 13.3162 14.9743 14.9743 k = 0.0312 0.0312 0.2766 ( 4742 PWs) bands (ev): -47.9512 -47.9512 -21.8549 -21.8549 -20.4486 -20.4486 -19.9714 -19.9714 -19.8032 -19.8032 -19.7762 -19.7762 -19.0046 -19.0046 -18.7247 -18.7247 -4.7264 -4.7264 -4.6876 -4.6876 -3.2240 -3.2240 -1.1543 -1.1543 -1.0114 -1.0114 -0.9171 -0.9171 -0.8190 -0.8190 -0.7567 -0.7567 -0.0618 -0.0618 -0.0251 -0.0251 0.3553 0.3553 0.3927 0.3927 7.4940 7.4940 8.9406 8.9406 13.3009 13.3009 15.0113 15.0113 k = 0.0234 0.0234 0.2766 ( 4732 PWs) bands (ev): -47.9512 -47.9512 -21.8581 -21.8581 -20.4462 -20.4462 -19.9713 -19.9713 -19.8031 -19.8031 -19.7758 -19.7758 -19.0054 -19.0054 -18.7243 -18.7243 -4.7200 -4.7200 -4.6958 -4.6958 -3.2267 -3.2267 -1.1451 -1.1451 -0.9837 -0.9837 -0.9180 -0.9180 -0.8352 -0.8352 -0.7488 -0.7488 -0.0675 -0.0675 -0.0306 -0.0306 0.3578 0.3578 0.3952 0.3952 7.4830 7.4830 8.9247 8.9247 13.2889 13.2889 15.0411 15.0411 k = 0.0156 0.0156 0.2766 ( 4726 PWs) bands (ev): -47.9512 -47.9512 -21.8605 -21.8605 -20.4445 -20.4445 -19.9712 -19.9712 -19.8031 -19.8031 -19.7756 -19.7756 -19.0060 -19.0060 -18.7240 -18.7240 -4.7164 -4.7164 -4.7008 -4.7008 -3.2287 -3.2287 -1.1385 -1.1385 -0.9605 -0.9605 -0.9169 -0.9169 -0.8519 -0.8519 -0.7429 -0.7429 -0.0717 -0.0717 -0.0346 -0.0346 0.3596 0.3596 0.3969 0.3969 7.4751 7.4751 8.9132 8.9132 13.2803 13.2803 15.0630 15.0630 k = 0.0078 0.0078 0.2766 ( 4730 PWs) bands (ev): -47.9512 -47.9512 -21.8618 -21.8618 -20.4435 -20.4435 -19.9712 -19.9712 -19.8030 -19.8030 -19.7754 -19.7754 -19.0063 -19.0063 -18.7239 -18.7239 -4.7154 -4.7154 -4.7026 -4.7026 -3.2299 -3.2299 -1.1345 -1.1345 -0.9451 -0.9451 -0.9115 -0.9115 -0.8681 -0.8681 -0.7393 -0.7393 -0.0742 -0.0742 -0.0370 -0.0370 0.3606 0.3606 0.3980 0.3980 7.4703 7.4703 8.9064 8.9064 13.2751 13.2751 15.0764 15.0764 k = 0.0000 0.0000 0.2766 ( 4734 PWs) bands (ev): -47.9512 -47.9512 -21.8623 -21.8623 -20.4432 -20.4432 -19.9712 -19.9712 -19.8031 -19.8031 -19.7754 -19.7754 -19.0064 -19.0064 -18.7238 -18.7238 -4.7154 -4.7154 -4.7028 -4.7028 -3.2303 -3.2303 -1.1332 -1.1332 -0.9404 -0.9404 -0.9056 -0.9056 -0.8773 -0.8773 -0.7381 -0.7381 -0.0751 -0.0751 -0.0378 -0.0378 0.3610 0.3610 0.3984 0.3984 7.4687 7.4687 8.9041 8.9041 13.2734 13.2734 15.0809 15.0809 k = 0.0000 0.5000-0.0000 ( 4786 PWs) bands (ev): -47.9497 -47.9497 -21.1997 -21.1997 -21.0129 -21.0129 -19.9868 -19.9868 -19.8236 -19.8236 -19.7837 -19.7837 -18.8704 -18.8704 -18.8141 -18.8141 -4.8882 -4.8882 -4.2371 -4.2371 -2.5110 -2.5110 -2.2441 -2.2441 -2.0391 -2.0391 -1.6997 -1.6997 -1.2526 -1.2526 -0.5278 -0.5278 -0.0117 -0.0117 0.1748 0.1748 0.2443 0.2443 0.4997 0.4997 9.9018 9.9018 10.4092 10.4092 12.8224 12.8224 13.5388 13.5388 k = 0.0000 0.5000 0.0111 ( 4770 PWs) bands (ev): -47.9497 -47.9497 -21.1997 -21.1997 -21.0129 -21.0129 -19.9867 -19.9867 -19.8235 -19.8235 -19.7836 -19.7836 -18.8707 -18.8707 -18.8137 -18.8137 -4.8880 -4.8880 -4.2370 -4.2370 -2.5114 -2.5114 -2.2456 -2.2456 -2.0389 -2.0389 -1.6997 -1.6997 -1.2506 -1.2506 -0.5267 -0.5267 -0.0125 -0.0125 0.1724 0.1724 0.2467 0.2467 0.4989 0.4989 9.9022 9.9022 10.4106 10.4106 12.8143 12.8143 13.5486 13.5486 k = 0.0000 0.5000 0.0221 ( 4762 PWs) bands (ev): -47.9497 -47.9497 -21.1996 -21.1996 -21.0129 -21.0129 -19.9867 -19.9867 -19.8235 -19.8235 -19.7836 -19.7836 -18.8717 -18.8717 -18.8127 -18.8127 -4.8872 -4.8872 -4.2370 -4.2370 -2.5125 -2.5125 -2.2499 -2.2499 -2.0386 -2.0386 -1.6997 -1.6997 -1.2447 -1.2447 -0.5237 -0.5237 -0.0151 -0.0151 0.1661 0.1661 0.2531 0.2531 0.4966 0.4966 9.9033 9.9033 10.4148 10.4148 12.7912 12.7912 13.5770 13.5770 k = 0.0000 0.5000 0.0332 ( 4754 PWs) bands (ev): -47.9497 -47.9497 -21.1995 -21.1995 -21.0129 -21.0129 -19.9867 -19.9867 -19.8235 -19.8235 -19.7836 -19.7836 -18.8733 -18.8733 -18.8111 -18.8111 -4.8859 -4.8859 -4.2369 -4.2369 -2.5143 -2.5143 -2.2569 -2.2569 -2.0380 -2.0380 -1.6997 -1.6997 -1.2351 -1.2351 -0.5187 -0.5187 -0.0193 -0.0193 0.1573 0.1573 0.2619 0.2619 0.4927 0.4927 9.9051 9.9051 10.4218 10.4218 12.7562 12.7562 13.6208 13.6208 k = 0.0000 0.5000 0.0443 ( 4764 PWs) bands (ev): -47.9497 -47.9497 -21.1994 -21.1994 -21.0129 -21.0129 -19.9868 -19.9868 -19.8236 -19.8236 -19.7836 -19.7836 -18.8754 -18.8754 -18.8091 -18.8091 -4.8841 -4.8841 -4.2369 -4.2369 -2.5168 -2.5168 -2.2665 -2.2665 -2.0372 -2.0372 -1.6997 -1.6997 -1.2220 -1.2220 -0.5119 -0.5119 -0.0253 -0.0253 0.1472 0.1472 0.2721 0.2721 0.4873 0.4873 9.9075 9.9075 10.4315 10.4315 12.7128 12.7128 13.6764 13.6764 k = 0.0000 0.5000 0.0553 ( 4758 PWs) bands (ev): -47.9497 -47.9497 -21.1993 -21.1993 -21.0130 -21.0130 -19.9869 -19.9869 -19.8237 -19.8237 -19.7836 -19.7836 -18.8779 -18.8779 -18.8066 -18.8066 -4.8819 -4.8819 -4.2368 -4.2368 -2.5199 -2.5199 -2.2784 -2.2784 -2.0361 -2.0361 -1.6997 -1.6997 -1.2056 -1.2056 -0.5030 -0.5030 -0.0329 -0.0329 0.1364 0.1364 0.2830 0.2830 0.4804 0.4804 9.9106 9.9106 10.4438 10.4438 12.6641 12.6641 13.7408 13.7408 k = 0.0000 0.5000 0.0664 ( 4762 PWs) bands (ev): -47.9497 -47.9497 -21.1991 -21.1991 -21.0130 -21.0130 -19.9870 -19.9870 -19.8238 -19.8238 -19.7836 -19.7836 -18.8805 -18.8805 -18.8039 -18.8039 -4.8792 -4.8792 -4.2367 -4.2367 -2.5236 -2.5236 -2.2921 -2.2921 -2.0349 -2.0349 -1.6997 -1.6997 -1.1863 -1.1863 -0.4924 -0.4924 -0.0422 -0.0422 0.1254 0.1254 0.2940 0.2940 0.4721 0.4721 9.9144 9.9144 10.4586 10.4586 12.6123 12.6123 13.8117 13.8117 k = 0.0000 0.5000 0.0775 ( 4762 PWs) bands (ev): -47.9497 -47.9497 -21.1989 -21.1989 -21.0130 -21.0130 -19.9871 -19.9871 -19.8239 -19.8239 -19.7836 -19.7836 -18.8834 -18.8834 -18.8011 -18.8011 -4.8762 -4.8762 -4.2365 -4.2365 -2.5277 -2.5277 -2.3075 -2.3075 -2.0336 -2.0336 -1.6997 -1.6997 -1.1643 -1.1643 -0.4800 -0.4800 -0.0529 -0.0529 0.1143 0.1143 0.3052 0.3052 0.4624 0.4624 9.9187 9.9187 10.4759 10.4759 12.5590 12.5590 13.8870 13.8870 k = 0.0000 0.5000 0.0885 ( 4754 PWs) bands (ev): -47.9497 -47.9497 -21.1986 -21.1986 -21.0130 -21.0130 -19.9872 -19.9872 -19.8240 -19.8240 -19.7836 -19.7836 -18.8864 -18.8864 -18.7981 -18.7981 -4.8727 -4.8727 -4.2364 -4.2364 -2.5323 -2.5323 -2.3240 -2.3240 -2.0321 -2.0321 -1.6997 -1.6997 -1.1402 -1.1402 -0.4660 -0.4660 -0.0653 -0.0653 0.1034 0.1034 0.3162 0.3162 0.4513 0.4513 9.9235 9.9235 10.4955 10.4955 12.5054 12.5054 13.8308 13.8308 k = 0.0000 0.5000 0.0996 ( 4760 PWs) bands (ev): -47.9497 -47.9497 -21.1984 -21.1984 -21.0130 -21.0130 -19.9873 -19.9873 -19.8242 -19.8242 -19.7836 -19.7836 -18.8894 -18.8894 -18.7951 -18.7951 -4.8690 -4.8690 -4.2363 -4.2363 -2.5372 -2.5372 -2.3414 -2.3414 -2.0305 -2.0305 -1.6997 -1.6997 -1.1140 -1.1140 -0.4505 -0.4505 -0.0791 -0.0791 0.0926 0.0926 0.3269 0.3269 0.4390 0.4390 9.9288 9.9288 10.5171 10.5171 12.4524 12.4524 13.7481 13.7481 k = 0.0000 0.5000 0.1107 ( 4766 PWs) bands (ev): -47.9497 -47.9497 -21.1981 -21.1981 -21.0130 -21.0130 -19.9874 -19.9874 -19.8244 -19.8244 -19.7836 -19.7836 -18.8924 -18.8924 -18.7921 -18.7921 -4.8651 -4.8651 -4.2361 -4.2361 -2.5423 -2.5423 -2.3594 -2.3594 -2.0289 -2.0289 -1.6997 -1.6997 -1.0863 -1.0863 -0.4336 -0.4336 -0.0943 -0.0943 0.0822 0.0822 0.3372 0.3372 0.4254 0.4254 9.9345 9.9345 10.5406 10.5406 12.4005 12.4005 13.6663 13.6663 k = 0.0000 0.5000 0.1217 ( 4766 PWs) bands (ev): -47.9497 -47.9497 -21.1979 -21.1979 -21.0131 -21.0131 -19.9876 -19.9876 -19.8245 -19.8245 -19.7836 -19.7836 -18.8953 -18.8953 -18.7892 -18.7892 -4.8609 -4.8609 -4.2359 -4.2359 -2.5476 -2.5476 -2.3776 -2.3776 -2.0273 -2.0273 -1.6997 -1.6997 -1.0573 -1.0573 -0.4155 -0.4155 -0.1108 -0.1108 0.0722 0.0722 0.3470 0.3470 0.4110 0.4110 9.9405 9.9405 10.5657 10.5657 12.3503 12.3503 13.5859 13.5859 k = 0.0000 0.5000 0.1328 ( 4766 PWs) bands (ev): -47.9497 -47.9497 -21.1976 -21.1976 -21.0131 -21.0131 -19.9877 -19.9877 -19.8247 -19.8247 -19.7836 -19.7836 -18.8982 -18.8982 -18.7864 -18.7864 -4.8566 -4.8566 -4.2357 -4.2357 -2.5529 -2.5529 -2.3958 -2.3958 -2.0257 -2.0257 -1.6997 -1.6997 -1.0273 -1.0273 -0.3962 -0.3962 -0.1285 -0.1285 0.0627 0.0627 0.3559 0.3559 0.3959 0.3959 9.9468 9.9468 10.5922 10.5922 12.3022 12.3022 13.5073 13.5073 k = 0.0000 0.5000 0.1438 ( 4760 PWs) bands (ev): -47.9497 -47.9497 -21.1973 -21.1973 -21.0131 -21.0131 -19.9878 -19.9878 -19.8249 -19.8249 -19.7836 -19.7836 -18.9009 -18.9009 -18.7837 -18.7837 -4.8523 -4.8523 -4.2355 -4.2355 -2.5582 -2.5582 -2.4136 -2.4136 -2.0241 -2.0241 -1.6997 -1.6997 -0.9965 -0.9965 -0.3761 -0.3761 -0.1473 -0.1473 0.0536 0.0536 0.3621 0.3621 0.3822 0.3822 9.9532 9.9532 10.6197 10.6197 12.2564 12.2564 13.4310 13.4310 k = 0.0000 0.5000 0.1549 ( 4760 PWs) bands (ev): -47.9497 -47.9497 -21.1970 -21.1970 -21.0131 -21.0131 -19.9880 -19.9880 -19.8250 -19.8250 -19.7836 -19.7836 -18.9035 -18.9035 -18.7811 -18.7811 -4.8479 -4.8479 -4.2354 -4.2354 -2.5633 -2.5633 -2.4310 -2.4310 -2.0225 -2.0225 -1.6997 -1.6997 -0.9652 -0.9652 -0.3552 -0.3552 -0.1671 -0.1671 0.0451 0.0451 0.3558 0.3558 0.3795 0.3795 9.9596 9.9596 10.6479 10.6479 12.2132 12.2132 13.3576 13.3576 k = 0.0000 0.5000 0.1660 ( 4764 PWs) bands (ev): -47.9497 -47.9497 -21.1967 -21.1967 -21.0131 -21.0131 -19.9881 -19.9881 -19.8252 -19.8252 -19.7836 -19.7836 -18.9059 -18.9059 -18.7787 -18.7787 -4.8436 -4.8436 -4.2352 -4.2352 -2.5684 -2.5684 -2.4475 -2.4475 -2.0211 -2.0211 -1.6997 -1.6997 -0.9338 -0.9338 -0.3339 -0.3339 -0.1876 -0.1876 0.0373 0.0373 0.3398 0.3398 0.3854 0.3854 9.9660 9.9660 10.6764 10.6764 12.1730 12.1730 13.2875 13.2875 k = 0.0000 0.5000 0.1770 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.1965 -21.1965 -21.0132 -21.0132 -19.9883 -19.9883 -19.8254 -19.8254 -19.7837 -19.7837 -18.9081 -18.9081 -18.7764 -18.7764 -4.8396 -4.8396 -4.2350 -4.2350 -2.5731 -2.5731 -2.4631 -2.4631 -2.0197 -2.0197 -1.6997 -1.6997 -0.9026 -0.9026 -0.3125 -0.3125 -0.2087 -0.2087 0.0300 0.0300 0.3220 0.3220 0.3921 0.3921 9.9722 9.9722 10.7046 10.7046 12.1359 12.1359 13.2213 13.2213 k = 0.0000 0.5000 0.1881 ( 4788 PWs) bands (ev): -47.9497 -47.9497 -21.1962 -21.1962 -21.0132 -21.0132 -19.9884 -19.9884 -19.8256 -19.8256 -19.7837 -19.7837 -18.9102 -18.9102 -18.7744 -18.7744 -4.8357 -4.8357 -4.2349 -4.2349 -2.5775 -2.5775 -2.4775 -2.4775 -2.0185 -2.0185 -1.6997 -1.6997 -0.8718 -0.8718 -0.2915 -0.2915 -0.2299 -0.2299 0.0234 0.0234 0.3037 0.3037 0.3984 0.3984 9.9781 9.9781 10.7322 10.7322 12.1021 12.1021 13.1596 13.1596 k = 0.0000 0.5000 0.1992 ( 4784 PWs) bands (ev): -47.9497 -47.9497 -21.1960 -21.1960 -21.0132 -21.0132 -19.9885 -19.9885 -19.8257 -19.8257 -19.7837 -19.7837 -18.9120 -18.9120 -18.7726 -18.7726 -4.8320 -4.8320 -4.2347 -4.2347 -2.5815 -2.5815 -2.4906 -2.4906 -2.0173 -2.0173 -1.6997 -1.6997 -0.8418 -0.8418 -0.2731 -0.2731 -0.2489 -0.2489 0.0174 0.0174 0.2854 0.2854 0.4042 0.4042 9.9837 9.9837 10.7585 10.7585 12.0718 12.0718 13.1030 13.1030 k = 0.0000 0.5000 0.2102 ( 4780 PWs) bands (ev): -47.9497 -47.9497 -21.1958 -21.1958 -21.0132 -21.0132 -19.9886 -19.9886 -19.8258 -19.8258 -19.7837 -19.7837 -18.9136 -18.9136 -18.7710 -18.7710 -4.8287 -4.8287 -4.2346 -4.2346 -2.5851 -2.5851 -2.5023 -2.5023 -2.0163 -2.0163 -1.6997 -1.6997 -0.8132 -0.8132 -0.2772 -0.2772 -0.2459 -0.2459 0.0122 0.0122 0.2677 0.2677 0.4094 0.4094 9.9888 9.9888 10.7831 10.7831 12.0451 12.0451 13.0521 13.0521 k = 0.0000 0.5000 0.2213 ( 4780 PWs) bands (ev): -47.9497 -47.9497 -21.1956 -21.1956 -21.0132 -21.0132 -19.9887 -19.9887 -19.8259 -19.8259 -19.7837 -19.7837 -18.9150 -18.9150 -18.7696 -18.7696 -4.8259 -4.8259 -4.2345 -4.2345 -2.5882 -2.5882 -2.5124 -2.5124 -2.0155 -2.0155 -1.6997 -1.6997 -0.7864 -0.7864 -0.2962 -0.2962 -0.2285 -0.2285 0.0078 0.0078 0.2510 0.2510 0.4137 0.4137 9.9933 9.9933 10.8052 10.8052 12.0224 12.0224 13.0076 13.0076 k = 0.0000 0.5000 0.2324 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.1955 -21.1955 -21.0132 -21.0132 -19.9888 -19.9888 -19.8260 -19.8260 -19.7837 -19.7837 -18.9162 -18.9162 -18.7685 -18.7685 -4.8234 -4.8234 -4.2344 -4.2344 -2.5908 -2.5908 -2.5207 -2.5207 -2.0147 -2.0147 -1.6997 -1.6997 -0.7622 -0.7622 -0.3149 -0.3149 -0.2119 -0.2119 0.0041 0.0041 0.2359 0.2359 0.4174 0.4174 9.9971 9.9971 10.8243 10.8243 12.0035 12.0035 12.9701 12.9701 k = 0.0000 0.5000 0.2434 ( 4776 PWs) bands (ev): -47.9497 -47.9497 -21.1953 -21.1953 -21.0132 -21.0132 -19.9888 -19.9888 -19.8260 -19.8260 -19.7837 -19.7837 -18.9170 -18.9170 -18.7676 -18.7676 -4.8215 -4.8215 -4.2343 -4.2343 -2.5929 -2.5929 -2.5274 -2.5274 -2.0142 -2.0142 -1.6997 -1.6997 -0.7416 -0.7416 -0.3313 -0.3313 -0.1977 -0.1977 0.0012 0.0012 0.2230 0.2230 0.4202 0.4202 10.0001 10.0001 10.8399 10.8399 11.9887 11.9887 12.9402 12.9402 k = 0.0000 0.5000 0.2545 ( 4782 PWs) bands (ev): -47.9497 -47.9497 -21.1953 -21.1953 -21.0133 -21.0133 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9177 -18.9177 -18.7669 -18.7669 -4.8201 -4.8201 -4.2342 -4.2342 -2.5944 -2.5944 -2.5321 -2.5321 -2.0138 -2.0138 -1.6998 -1.6998 -0.7256 -0.7256 -0.3444 -0.3444 -0.1868 -0.1868 -0.0009 -0.0009 0.2131 0.2131 0.4223 0.4223 10.0024 10.0024 10.8514 10.8514 11.9781 11.9781 12.9184 12.9184 k = 0.0000 0.5000 0.2656 ( 4774 PWs) bands (ev): -47.9497 -47.9497 -21.1952 -21.1952 -21.0133 -21.0133 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9181 -18.9181 -18.7666 -18.7666 -4.8192 -4.8192 -4.2342 -4.2342 -2.5953 -2.5953 -2.5350 -2.5350 -2.0136 -2.0136 -1.6997 -1.6997 -0.7154 -0.7154 -0.3528 -0.3528 -0.1799 -0.1799 -0.0022 -0.0022 0.2068 0.2068 0.4235 0.4235 10.0037 10.0037 10.8584 10.8584 11.9717 11.9717 12.9052 12.9052 k = 0.0000 0.5000 0.2766 ( 4772 PWs) bands (ev): -47.9497 -47.9497 -21.1952 -21.1952 -21.0133 -21.0133 -19.9889 -19.9889 -19.8261 -19.8261 -19.7837 -19.7837 -18.9182 -18.9182 -18.7664 -18.7664 -4.8189 -4.8189 -4.2342 -4.2342 -2.5956 -2.5956 -2.5360 -2.5360 -2.0135 -2.0135 -1.6997 -1.6997 -0.7118 -0.7118 -0.3557 -0.3557 -0.1775 -0.1775 -0.0026 -0.0026 0.2046 0.2046 0.4239 0.4239 10.0042 10.0042 10.8608 10.8608 11.9696 11.9696 12.9007 12.9007 k = 0.5000 0.5000-0.0000 ( 4712 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8056 -19.8056 -19.8005 -19.8005 -18.9899 -18.9899 -18.7741 -18.7741 -6.5587 -6.5587 -3.6611 -3.6611 -2.6190 -2.6190 -2.4029 -2.4029 -2.3946 -2.3946 -1.0729 -1.0729 -0.6393 -0.6393 -0.5021 -0.5021 -0.4725 -0.4725 0.0403 0.0403 0.5208 0.5208 0.5512 0.5512 11.2778 11.2778 12.3943 12.3943 12.5492 12.5492 12.5495 12.5495 k = 0.5000 0.5000 0.0111 ( 4708 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8056 -19.8056 -19.8004 -19.8004 -18.9897 -18.9897 -18.7743 -18.7743 -6.5585 -6.5585 -3.6611 -3.6611 -2.6190 -2.6190 -2.4031 -2.4031 -2.3948 -2.3948 -1.0767 -1.0767 -0.6355 -0.6355 -0.5012 -0.5012 -0.4716 -0.4716 0.0403 0.0403 0.5201 0.5201 0.5505 0.5505 11.2753 11.2753 12.3974 12.3974 12.5494 12.5494 12.5497 12.5497 k = 0.5000 0.5000 0.0221 ( 4740 PWs) bands (ev): -47.9482 -47.9482 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8057 -19.8057 -19.8005 -19.8005 -18.9892 -18.9892 -18.7749 -18.7749 -6.5580 -6.5580 -3.6611 -3.6611 -2.6191 -2.6191 -2.4037 -2.4037 -2.3954 -2.3954 -1.0879 -1.0879 -0.6248 -0.6248 -0.4985 -0.4985 -0.4691 -0.4691 0.0403 0.0403 0.5181 0.5181 0.5484 0.5484 11.2680 11.2680 12.4066 12.4066 12.5500 12.5500 12.5503 12.5503 k = 0.5000 0.5000 0.0332 ( 4724 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8057 -19.8057 -19.8005 -19.8005 -18.9882 -18.9882 -18.7759 -18.7759 -6.5569 -6.5569 -3.6611 -3.6611 -2.6191 -2.6191 -2.4047 -2.4047 -2.3964 -2.3964 -1.1052 -1.1052 -0.6083 -0.6083 -0.4940 -0.4940 -0.4649 -0.4649 0.0403 0.0403 0.5148 0.5148 0.5451 0.5451 11.2562 11.2562 12.4216 12.4216 12.5509 12.5509 12.5512 12.5512 k = 0.5000 0.5000 0.0443 ( 4724 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8057 -19.8057 -19.8005 -19.8005 -18.9869 -18.9869 -18.7773 -18.7773 -6.5555 -6.5555 -3.6610 -3.6610 -2.6191 -2.6191 -2.4061 -2.4061 -2.3978 -2.3978 -1.1274 -1.1274 -0.5872 -0.5872 -0.4878 -0.4878 -0.4590 -0.4590 0.0403 0.0403 0.5102 0.5102 0.5405 0.5405 11.2405 11.2405 12.4417 12.4417 12.5523 12.5523 12.5526 12.5526 k = 0.5000 0.5000 0.0553 ( 4724 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8057 -19.8057 -19.8005 -19.8005 -18.9853 -18.9853 -18.7791 -18.7791 -6.5538 -6.5538 -3.6610 -3.6610 -2.6191 -2.6191 -2.4079 -2.4079 -2.3996 -2.3996 -1.1530 -1.1530 -0.5632 -0.5632 -0.4797 -0.4797 -0.4516 -0.4516 0.0403 0.0403 0.5044 0.5044 0.5346 0.5346 11.2213 11.2213 12.4663 12.4663 12.5539 12.5539 12.5543 12.5543 k = 0.5000 0.5000 0.0664 ( 4720 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9819 -19.9819 -19.8057 -19.8057 -19.8004 -19.8004 -18.9833 -18.9833 -18.7812 -18.7812 -6.5517 -6.5517 -3.6609 -3.6609 -2.6191 -2.6191 -2.4100 -2.4100 -2.4016 -2.4016 -1.1810 -1.1810 -0.5372 -0.5372 -0.4698 -0.4698 -0.4427 -0.4427 0.0403 0.0403 0.4974 0.4974 0.5275 0.5275 11.1995 11.1995 12.4946 12.4946 12.5559 12.5559 12.5564 12.5564 k = 0.5000 0.5000 0.0775 ( 4728 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8057 -19.8057 -19.8005 -19.8005 -18.9809 -18.9809 -18.7837 -18.7837 -6.5493 -6.5493 -3.6608 -3.6608 -2.6191 -2.6191 -2.4124 -2.4124 -2.4040 -2.4040 -1.2105 -1.2105 -0.5108 -0.5108 -0.4577 -0.4577 -0.4324 -0.4324 0.0403 0.0403 0.4892 0.4892 0.5193 0.5193 11.1756 11.1756 12.5256 12.5256 12.5582 12.5582 12.5591 12.5591 k = 0.5000 0.5000 0.0885 ( 4728 PWs) bands (ev): -47.9481 -47.9481 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8057 -19.8057 -19.8005 -19.8005 -18.9783 -18.9783 -18.7866 -18.7866 -6.5466 -6.5466 -3.6607 -3.6607 -2.6192 -2.6192 -2.4151 -2.4151 -2.4066 -2.4066 -1.2406 -1.2406 -0.4849 -0.4849 -0.4432 -0.4432 -0.4207 -0.4207 0.0402 0.0402 0.4800 0.4800 0.5099 0.5099 11.1503 11.1503 12.5549 12.5549 12.5608 12.5608 12.5660 12.5660 k = 0.5000 0.5000 0.0996 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9753 -18.9753 -18.7897 -18.7897 -6.5437 -6.5437 -3.6606 -3.6606 -2.6192 -2.6192 -2.4180 -2.4180 -2.4094 -2.4094 -1.2709 -1.2709 -0.4611 -0.4611 -0.4254 -0.4254 -0.4079 -0.4079 0.0402 0.0402 0.4697 0.4697 0.4995 0.4995 11.1242 11.1242 12.5624 12.5624 12.5636 12.5636 12.5964 12.5964 k = 0.5000 0.5000 0.1107 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9720 -18.9720 -18.7932 -18.7932 -6.5406 -6.5406 -3.6605 -3.6605 -2.6192 -2.6192 -2.4210 -2.4210 -2.4124 -2.4124 -1.3009 -1.3009 -0.4400 -0.4400 -0.4041 -0.4041 -0.3939 -0.3939 0.0402 0.0402 0.4585 0.4585 0.4881 0.4881 11.0977 11.0977 12.5658 12.5658 12.5666 12.5666 12.6321 12.6321 k = 0.5000 0.5000 0.1217 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9737 -20.9737 -20.9717 -20.9717 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9684 -18.9684 -18.7970 -18.7970 -6.5374 -6.5374 -3.6604 -3.6604 -2.6192 -2.6192 -2.4241 -2.4241 -2.4155 -2.4155 -1.3303 -1.3303 -0.4212 -0.4212 -0.3805 -0.3805 -0.3791 -0.3791 0.0402 0.0402 0.4465 0.4465 0.4760 0.4760 11.0714 11.0714 12.5690 12.5690 12.5697 12.5697 12.6684 12.6684 k = 0.5000 0.5000 0.1328 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9717 -20.9717 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9646 -18.9646 -18.8010 -18.8010 -6.5341 -6.5341 -3.6603 -3.6603 -2.6192 -2.6192 -2.4273 -2.4273 -2.4186 -2.4186 -1.3587 -1.3587 -0.4033 -0.4033 -0.3634 -0.3634 -0.3560 -0.3560 0.0402 0.0402 0.4338 0.4338 0.4631 0.4631 11.0456 11.0456 12.5722 12.5722 12.5729 12.5729 12.7045 12.7045 k = 0.5000 0.5000 0.1438 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9820 -19.9820 -19.8058 -19.8058 -19.8005 -19.8005 -18.9606 -18.9606 -18.8053 -18.8053 -6.5307 -6.5307 -3.6602 -3.6602 -2.6192 -2.6192 -2.4305 -2.4305 -2.4217 -2.4217 -1.3860 -1.3860 -0.3858 -0.3858 -0.3472 -0.3472 -0.3319 -0.3319 0.0402 0.0402 0.4205 0.4205 0.4496 0.4496 11.0206 11.0206 12.5754 12.5754 12.5762 12.5762 12.7398 12.7398 k = 0.5000 0.5000 0.1549 ( 4736 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9821 -19.9821 -19.8058 -19.8058 -19.8005 -19.8005 -18.9563 -18.9563 -18.8098 -18.8098 -6.5274 -6.5274 -3.6601 -3.6601 -2.6193 -2.6193 -2.4336 -2.4336 -2.4248 -2.4248 -1.4118 -1.4118 -0.3684 -0.3684 -0.3306 -0.3306 -0.3087 -0.3087 0.0402 0.0402 0.4068 0.4068 0.4357 0.4357 10.9967 10.9967 12.5787 12.5787 12.5795 12.5795 12.7740 12.7740 k = 0.5000 0.5000 0.1660 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9821 -19.9821 -19.8059 -19.8059 -19.8006 -19.8006 -18.9519 -18.9519 -18.8144 -18.8144 -6.5241 -6.5241 -3.6600 -3.6600 -2.6194 -2.6194 -2.4366 -2.4366 -2.4278 -2.4278 -1.4360 -1.4360 -0.3512 -0.3512 -0.3139 -0.3139 -0.2868 -0.2868 0.0401 0.0401 0.3929 0.3929 0.4215 0.4215 10.9743 10.9743 12.5818 12.5818 12.5827 12.5827 12.8066 12.8066 k = 0.5000 0.5000 0.1770 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8059 -19.8059 -19.8006 -19.8006 -18.9474 -18.9474 -18.8191 -18.8191 -6.5210 -6.5210 -3.6599 -3.6599 -2.6194 -2.6194 -2.4395 -2.4395 -2.4307 -2.4307 -1.4584 -1.4584 -0.3342 -0.3342 -0.2973 -0.2973 -0.2666 -0.2666 0.0401 0.0401 0.3790 0.3790 0.4073 0.4073 10.9534 10.9534 12.5849 12.5849 12.5858 12.5858 12.8371 12.8371 k = 0.5000 0.5000 0.1881 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8059 -19.8059 -19.8006 -19.8006 -18.9428 -18.9428 -18.8239 -18.8239 -6.5180 -6.5180 -3.6598 -3.6598 -2.6194 -2.6194 -2.4423 -2.4423 -2.4334 -2.4334 -1.4789 -1.4789 -0.3176 -0.3176 -0.2810 -0.2810 -0.2480 -0.2480 0.0401 0.0401 0.3653 0.3653 0.3933 0.3933 10.9343 10.9343 12.5877 12.5877 12.5888 12.5888 12.8654 12.8654 k = 0.5000 0.5000 0.1992 ( 4768 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9382 -18.9382 -18.8287 -18.8287 -6.5153 -6.5153 -3.6597 -3.6597 -2.6194 -2.6194 -2.4448 -2.4448 -2.4358 -2.4358 -1.4972 -1.4972 -0.3019 -0.3019 -0.2653 -0.2653 -0.2314 -0.2314 0.0400 0.0400 0.3520 0.3520 0.3798 0.3798 10.9171 10.9171 12.5904 12.5904 12.5915 12.5915 12.8910 12.8910 k = 0.5000 0.5000 0.2102 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9336 -18.9336 -18.8334 -18.8334 -6.5128 -6.5128 -3.6597 -3.6597 -2.6194 -2.6194 -2.4470 -2.4470 -2.4380 -2.4380 -1.5134 -1.5134 -0.2871 -0.2871 -0.2507 -0.2507 -0.2168 -0.2168 0.0400 0.0400 0.3396 0.3396 0.3671 0.3671 10.9020 10.9020 12.5929 12.5929 12.5940 12.5940 12.9137 12.9137 k = 0.5000 0.5000 0.2213 ( 4752 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9821 -19.9821 -19.8060 -19.8060 -19.8005 -19.8005 -18.9293 -18.9293 -18.8378 -18.8378 -6.5107 -6.5107 -3.6596 -3.6596 -2.6195 -2.6195 -2.4489 -2.4489 -2.4399 -2.4399 -1.5272 -1.5272 -0.2737 -0.2737 -0.2374 -0.2374 -0.2044 -0.2044 0.0400 0.0400 0.3283 0.3283 0.3555 0.3555 10.8890 10.8890 12.5950 12.5950 12.5962 12.5962 12.9334 12.9334 k = 0.5000 0.5000 0.2324 ( 4752 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8005 -19.8005 -18.9253 -18.9253 -18.8420 -18.8420 -6.5088 -6.5088 -3.6595 -3.6595 -2.6195 -2.6195 -2.4506 -2.4506 -2.4415 -2.4415 -1.5386 -1.5386 -0.2621 -0.2621 -0.2258 -0.2258 -0.1942 -0.1942 0.0400 0.0400 0.3184 0.3184 0.3453 0.3453 10.8783 10.8783 12.5968 12.5968 12.5981 12.5981 12.9497 12.9497 k = 0.5000 0.5000 0.2434 ( 4748 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9821 -19.9821 -19.8059 -19.8059 -19.8005 -19.8005 -18.9218 -18.9218 -18.8455 -18.8455 -6.5074 -6.5074 -3.6595 -3.6595 -2.6195 -2.6195 -2.4519 -2.4519 -2.4428 -2.4428 -1.5476 -1.5476 -0.2525 -0.2525 -0.2163 -0.2163 -0.1862 -0.1862 0.0400 0.0400 0.3102 0.3102 0.3369 0.3369 10.8699 10.8699 12.5982 12.5982 12.5995 12.5995 12.9625 12.9625 k = 0.5000 0.5000 0.2545 ( 4764 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9191 -18.9191 -18.8484 -18.8484 -6.5063 -6.5063 -3.6594 -3.6594 -2.6195 -2.6195 -2.4528 -2.4528 -2.4438 -2.4438 -1.5540 -1.5540 -0.2454 -0.2454 -0.2092 -0.2092 -0.1805 -0.1805 0.0400 0.0400 0.3041 0.3041 0.3306 0.3306 10.8638 10.8638 12.5993 12.5993 12.6006 12.6006 12.9718 12.9718 k = 0.5000 0.5000 0.2656 ( 4764 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9173 -18.9173 -18.8502 -18.8502 -6.5057 -6.5057 -3.6594 -3.6594 -2.6195 -2.6195 -2.4534 -2.4534 -2.4443 -2.4443 -1.5579 -1.5579 -0.2410 -0.2410 -0.2049 -0.2049 -0.1771 -0.1771 0.0399 0.0399 0.3004 0.3004 0.3267 0.3267 10.8602 10.8602 12.5999 12.5999 12.6013 12.6013 12.9774 12.9774 k = 0.5000 0.5000 0.2766 ( 4760 PWs) bands (ev): -47.9482 -47.9482 -20.9736 -20.9736 -20.9716 -20.9716 -19.9822 -19.9822 -19.8060 -19.8060 -19.8006 -19.8006 -18.9167 -18.9167 -18.8508 -18.8508 -6.5055 -6.5055 -3.6594 -3.6594 -2.6195 -2.6195 -2.4536 -2.4536 -2.4445 -2.4445 -1.5592 -1.5592 -0.2395 -0.2395 -0.2034 -0.2034 -0.1760 -0.1760 0.0399 0.0399 0.2991 0.2991 0.3254 0.3254 10.8590 10.8590 12.6001 12.6001 12.6015 12.6015 12.9793 12.9793 Writing output data file NaAlF4.save init_run : 0.19s CPU 0.30s WALL ( 1 calls) electrons : 115.22s CPU 117.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 115.21s CPU 117.47s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 396 calls) cegterg : 105.17s CPU 106.68s WALL ( 435 calls) Called by sum_band: Called by *egterg: h_psi : 59.11s CPU 60.13s WALL ( 7401 calls) s_psi : 2.72s CPU 2.65s WALL ( 7401 calls) g_psi : 0.28s CPU 0.23s WALL ( 6570 calls) cdiaghg : 36.68s CPU 37.27s WALL ( 6966 calls) cegterg:over : 4.82s CPU 5.11s WALL ( 6570 calls) cegterg:upda : 3.92s CPU 4.07s WALL ( 6570 calls) cegterg:last : 2.90s CPU 2.85s WALL ( 1227 calls) cdiaghg:chol : 2.01s CPU 2.07s WALL ( 6966 calls) cdiaghg:inve : 1.30s CPU 1.26s WALL ( 6966 calls) cdiaghg:para : 2.17s CPU 2.20s WALL ( 13932 calls) Called by h_psi: h_psi:vloc : 51.73s CPU 52.79s WALL ( 7401 calls) h_psi:vnl : 7.19s CPU 7.13s WALL ( 7401 calls) add_vuspsi : 3.38s CPU 3.14s WALL ( 7401 calls) General routines calbec : 3.80s CPU 3.96s WALL ( 7401 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.02s CPU 49.92s WALL ( 701408 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 792 calls) Parallel routines fft_scatter : 19.93s CPU 20.26s WALL ( 701431 calls) PWSCF : 2m13.76s CPU 2m35.75s WALL This run was terminated on: 19:26: 2 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=