Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 1 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: ./Zn.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 8 2 433 222 36 Max 14 9 3 441 239 47 Sum 475 313 97 15727 8343 1499 bravais-lattice index = 14 lattice parameter (alat) = 5.0255 a.u. unit-cell volume = 204.0516 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.025537 celldm(2)= 1.000000 celldm(3)= 1.856359 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.856359 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.538689 ) PseudoPot. # 1 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Zn 12.00 65.40900 Zn( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -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 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9281793 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9281793 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 481 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0072464 0.0041837 -0.0000000), wk = 0.0020790 k( 3) = ( 0.0144928 0.0083674 -0.0000000), wk = 0.0020790 k( 4) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0020790 k( 5) = ( 0.0289855 0.0167348 -0.0000000), wk = 0.0020790 k( 6) = ( 0.0362319 0.0209185 -0.0000000), wk = 0.0020790 k( 7) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0020790 k( 8) = ( 0.0507246 0.0292859 -0.0000000), wk = 0.0020790 k( 9) = ( 0.0579710 0.0334696 -0.0000000), wk = 0.0020790 k( 10) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0020790 k( 11) = ( 0.0724638 0.0418370 -0.0000000), wk = 0.0020790 k( 12) = ( 0.0797101 0.0460207 -0.0000000), wk = 0.0020790 k( 13) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0020790 k( 14) = ( 0.0942029 0.0543881 -0.0000000), wk = 0.0020790 k( 15) = ( 0.1014493 0.0585718 -0.0000000), wk = 0.0020790 k( 16) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0020790 k( 17) = ( 0.1159420 0.0669392 -0.0000000), wk = 0.0020790 k( 18) = ( 0.1231884 0.0711229 -0.0000000), wk = 0.0020790 k( 19) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0020790 k( 20) = ( 0.1376812 0.0794903 -0.0000000), wk = 0.0020790 k( 21) = ( 0.1449275 0.0836740 -0.0000000), wk = 0.0020790 k( 22) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0020790 k( 23) = ( 0.1594203 0.0920413 -0.0000000), wk = 0.0020790 k( 24) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020790 k( 25) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0020790 k( 26) = ( 0.1811594 0.1045924 -0.0000000), wk = 0.0020790 k( 27) = ( 0.1884058 0.1087761 -0.0000000), wk = 0.0020790 k( 28) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0020790 k( 29) = ( 0.2028986 0.1171435 -0.0000000), wk = 0.0020790 k( 30) = ( 0.2101449 0.1213272 -0.0000000), wk = 0.0020790 k( 31) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0020790 k( 32) = ( 0.2246377 0.1296946 -0.0000000), wk = 0.0020790 k( 33) = ( 0.2318841 0.1338783 -0.0000000), wk = 0.0020790 k( 34) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0020790 k( 35) = ( 0.2463768 0.1422457 -0.0000000), wk = 0.0020790 k( 36) = ( 0.2536232 0.1464294 -0.0000000), wk = 0.0020790 k( 37) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0020790 k( 38) = ( 0.2681159 0.1547968 -0.0000000), wk = 0.0020790 k( 39) = ( 0.2753623 0.1589805 -0.0000000), wk = 0.0020790 k( 40) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0020790 k( 41) = ( 0.2898551 0.1673479 -0.0000000), wk = 0.0020790 k( 42) = ( 0.2971014 0.1715316 -0.0000000), wk = 0.0020790 k( 43) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0020790 k( 44) = ( 0.3115942 0.1798990 -0.0000000), wk = 0.0020790 k( 45) = ( 0.3188406 0.1840827 -0.0000000), wk = 0.0020790 k( 46) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0020790 k( 47) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020790 k( 48) = ( 0.3405797 0.1966338 -0.0000000), wk = 0.0020790 k( 49) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0020790 k( 50) = ( 0.3550725 0.2050012 -0.0000000), wk = 0.0020790 k( 51) = ( 0.3623188 0.2091849 -0.0000000), wk = 0.0020790 k( 52) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0020790 k( 53) = ( 0.3768116 0.2175523 -0.0000000), wk = 0.0020790 k( 54) = ( 0.3840580 0.2217360 -0.0000000), wk = 0.0020790 k( 55) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0020790 k( 56) = ( 0.3985507 0.2301034 -0.0000000), wk = 0.0020790 k( 57) = ( 0.4057971 0.2342871 -0.0000000), wk = 0.0020790 k( 58) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0020790 k( 59) = ( 0.4202899 0.2426545 -0.0000000), wk = 0.0020790 k( 60) = ( 0.4275362 0.2468382 -0.0000000), wk = 0.0020790 k( 61) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0020790 k( 62) = ( 0.4420290 0.2552056 -0.0000000), wk = 0.0020790 k( 63) = ( 0.4492754 0.2593893 -0.0000000), wk = 0.0020790 k( 64) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0020790 k( 65) = ( 0.4637681 0.2677566 -0.0000000), wk = 0.0020790 k( 66) = ( 0.4710145 0.2719403 -0.0000000), wk = 0.0020790 k( 67) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0020790 k( 68) = ( 0.4855073 0.2803077 -0.0000000), wk = 0.0020790 k( 69) = ( 0.4927536 0.2844914 -0.0000000), wk = 0.0020790 k( 70) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020790 k( 71) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020790 k( 72) = ( 0.4958333 0.2958920 -0.0000000), wk = 0.0020790 k( 73) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0020790 k( 74) = ( 0.4875000 0.3103258 -0.0000000), wk = 0.0020790 k( 75) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0020790 k( 76) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0020790 k( 77) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0020790 k( 78) = ( 0.4708333 0.3391933 -0.0000000), wk = 0.0020790 k( 79) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020790 k( 80) = ( 0.4625000 0.3536270 -0.0000000), wk = 0.0020790 k( 81) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0020790 k( 82) = ( 0.4541667 0.3680608 -0.0000000), wk = 0.0020790 k( 83) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0020790 k( 84) = ( 0.4458333 0.3824945 -0.0000000), wk = 0.0020790 k( 85) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0020790 k( 86) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0020790 k( 87) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020790 k( 88) = ( 0.4291667 0.4113621 -0.0000000), wk = 0.0020790 k( 89) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0020790 k( 90) = ( 0.4208333 0.4257958 -0.0000000), wk = 0.0020790 k( 91) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020790 k( 92) = ( 0.4125000 0.4402296 -0.0000000), wk = 0.0020790 k( 93) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0020790 k( 94) = ( 0.4041667 0.4546633 -0.0000000), wk = 0.0020790 k( 95) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020790 k( 96) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0020790 k( 97) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0020790 k( 98) = ( 0.3875000 0.4835309 -0.0000000), wk = 0.0020790 k( 99) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0020790 k( 100) = ( 0.3791667 0.4979646 -0.0000000), wk = 0.0020790 k( 101) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0020790 k( 102) = ( 0.3708333 0.5123984 -0.0000000), wk = 0.0020790 k( 103) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020790 k( 104) = ( 0.3625000 0.5268321 -0.0000000), wk = 0.0020790 k( 105) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0020790 k( 106) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0020790 k( 107) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0020790 k( 108) = ( 0.3458333 0.5556996 -0.0000000), wk = 0.0020790 k( 109) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0020790 k( 110) = ( 0.3375000 0.5701334 -0.0000000), wk = 0.0020790 k( 111) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020790 k( 112) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020790 k( 113) = ( 0.3291139 0.5700420 -0.0000000), wk = 0.0020790 k( 114) = ( 0.3248945 0.5627338 -0.0000000), wk = 0.0020790 k( 115) = ( 0.3206751 0.5554256 -0.0000000), wk = 0.0020790 k( 116) = ( 0.3164557 0.5481174 -0.0000000), wk = 0.0020790 k( 117) = ( 0.3122363 0.5408091 -0.0000000), wk = 0.0020790 k( 118) = ( 0.3080169 0.5335009 -0.0000000), wk = 0.0020790 k( 119) = ( 0.3037975 0.5261927 -0.0000000), wk = 0.0020790 k( 120) = ( 0.2995781 0.5188844 -0.0000000), wk = 0.0020790 k( 121) = ( 0.2953587 0.5115762 -0.0000000), wk = 0.0020790 k( 122) = ( 0.2911392 0.5042680 -0.0000000), wk = 0.0020790 k( 123) = ( 0.2869198 0.4969597 -0.0000000), wk = 0.0020790 k( 124) = ( 0.2827004 0.4896515 -0.0000000), wk = 0.0020790 k( 125) = ( 0.2784810 0.4823433 -0.0000000), wk = 0.0020790 k( 126) = ( 0.2742616 0.4750350 -0.0000000), wk = 0.0020790 k( 127) = ( 0.2700422 0.4677268 -0.0000000), wk = 0.0020790 k( 128) = ( 0.2658228 0.4604186 -0.0000000), wk = 0.0020790 k( 129) = ( 0.2616034 0.4531103 -0.0000000), wk = 0.0020790 k( 130) = ( 0.2573840 0.4458021 -0.0000000), wk = 0.0020790 k( 131) = ( 0.2531646 0.4384939 -0.0000000), wk = 0.0020790 k( 132) = ( 0.2489452 0.4311856 -0.0000000), wk = 0.0020790 k( 133) = ( 0.2447257 0.4238774 -0.0000000), wk = 0.0020790 k( 134) = ( 0.2405063 0.4165692 -0.0000000), wk = 0.0020790 k( 135) = ( 0.2362869 0.4092610 -0.0000000), wk = 0.0020790 k( 136) = ( 0.2320675 0.4019527 -0.0000000), wk = 0.0020790 k( 137) = ( 0.2278481 0.3946445 -0.0000000), wk = 0.0020790 k( 138) = ( 0.2236287 0.3873363 -0.0000000), wk = 0.0020790 k( 139) = ( 0.2194093 0.3800280 -0.0000000), wk = 0.0020790 k( 140) = ( 0.2151899 0.3727198 -0.0000000), wk = 0.0020790 k( 141) = ( 0.2109705 0.3654116 -0.0000000), wk = 0.0020790 k( 142) = ( 0.2067510 0.3581033 -0.0000000), wk = 0.0020790 k( 143) = ( 0.2025317 0.3507951 -0.0000000), wk = 0.0020790 k( 144) = ( 0.1983122 0.3434869 -0.0000000), wk = 0.0020790 k( 145) = ( 0.1940928 0.3361786 -0.0000000), wk = 0.0020790 k( 146) = ( 0.1898734 0.3288704 -0.0000000), wk = 0.0020790 k( 147) = ( 0.1856540 0.3215622 -0.0000000), wk = 0.0020790 k( 148) = ( 0.1814346 0.3142539 -0.0000000), wk = 0.0020790 k( 149) = ( 0.1772152 0.3069457 -0.0000000), wk = 0.0020790 k( 150) = ( 0.1729958 0.2996375 -0.0000000), wk = 0.0020790 k( 151) = ( 0.1687764 0.2923292 -0.0000000), wk = 0.0020790 k( 152) = ( 0.1645570 0.2850210 -0.0000000), wk = 0.0020790 k( 153) = ( 0.1603375 0.2777128 -0.0000000), wk = 0.0020790 k( 154) = ( 0.1561181 0.2704046 -0.0000000), wk = 0.0020790 k( 155) = ( 0.1518987 0.2630963 -0.0000000), wk = 0.0020790 k( 156) = ( 0.1476793 0.2557881 -0.0000000), wk = 0.0020790 k( 157) = ( 0.1434599 0.2484799 -0.0000000), wk = 0.0020790 k( 158) = ( 0.1392405 0.2411716 -0.0000000), wk = 0.0020790 k( 159) = ( 0.1350211 0.2338634 -0.0000000), wk = 0.0020790 k( 160) = ( 0.1308017 0.2265552 -0.0000000), wk = 0.0020790 k( 161) = ( 0.1265823 0.2192469 -0.0000000), wk = 0.0020790 k( 162) = ( 0.1223629 0.2119387 -0.0000000), wk = 0.0020790 k( 163) = ( 0.1181435 0.2046305 -0.0000000), wk = 0.0020790 k( 164) = ( 0.1139240 0.1973222 -0.0000000), wk = 0.0020790 k( 165) = ( 0.1097046 0.1900140 -0.0000000), wk = 0.0020790 k( 166) = ( 0.1054852 0.1827058 -0.0000000), wk = 0.0020790 k( 167) = ( 0.1012658 0.1753975 -0.0000000), wk = 0.0020790 k( 168) = ( 0.0970464 0.1680893 -0.0000000), wk = 0.0020790 k( 169) = ( 0.0928270 0.1607811 -0.0000000), wk = 0.0020790 k( 170) = ( 0.0886076 0.1534728 -0.0000000), wk = 0.0020790 k( 171) = ( 0.0843882 0.1461646 -0.0000000), wk = 0.0020790 k( 172) = ( 0.0801688 0.1388564 -0.0000000), wk = 0.0020790 k( 173) = ( 0.0759494 0.1315482 -0.0000000), wk = 0.0020790 k( 174) = ( 0.0717300 0.1242399 -0.0000000), wk = 0.0020790 k( 175) = ( 0.0675106 0.1169317 -0.0000000), wk = 0.0020790 k( 176) = ( 0.0632911 0.1096235 -0.0000000), wk = 0.0020790 k( 177) = ( 0.0590717 0.1023152 -0.0000000), wk = 0.0020790 k( 178) = ( 0.0548523 0.0950070 -0.0000000), wk = 0.0020790 k( 179) = ( 0.0506329 0.0876988 -0.0000000), wk = 0.0020790 k( 180) = ( 0.0464135 0.0803905 -0.0000000), wk = 0.0020790 k( 181) = ( 0.0421941 0.0730823 -0.0000000), wk = 0.0020790 k( 182) = ( 0.0379747 0.0657741 -0.0000000), wk = 0.0020790 k( 183) = ( 0.0337553 0.0584658 -0.0000000), wk = 0.0020790 k( 184) = ( 0.0295359 0.0511576 -0.0000000), wk = 0.0020790 k( 185) = ( 0.0253165 0.0438494 -0.0000000), wk = 0.0020790 k( 186) = ( 0.0210970 0.0365412 -0.0000000), wk = 0.0020790 k( 187) = ( 0.0168776 0.0292329 -0.0000000), wk = 0.0020790 k( 188) = ( 0.0126582 0.0219247 -0.0000000), wk = 0.0020790 k( 189) = ( 0.0084388 0.0146165 -0.0000000), wk = 0.0020790 k( 190) = ( 0.0042194 0.0073082 -0.0000000), wk = 0.0020790 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 193) = ( 0.0000000 0.0000000 0.0084170), wk = 0.0020790 k( 194) = ( 0.0000000 0.0000000 0.0168340), wk = 0.0020790 k( 195) = ( 0.0000000 0.0000000 0.0252510), wk = 0.0020790 k( 196) = ( 0.0000000 0.0000000 0.0336681), wk = 0.0020790 k( 197) = ( 0.0000000 0.0000000 0.0420851), wk = 0.0020790 k( 198) = ( 0.0000000 0.0000000 0.0505021), wk = 0.0020790 k( 199) = ( 0.0000000 0.0000000 0.0589191), wk = 0.0020790 k( 200) = ( 0.0000000 0.0000000 0.0673361), wk = 0.0020790 k( 201) = ( 0.0000000 0.0000000 0.0757531), wk = 0.0020790 k( 202) = ( 0.0000000 0.0000000 0.0841702), wk = 0.0020790 k( 203) = ( 0.0000000 0.0000000 0.0925872), wk = 0.0020790 k( 204) = ( 0.0000000 0.0000000 0.1010042), wk = 0.0020790 k( 205) = ( 0.0000000 0.0000000 0.1094212), wk = 0.0020790 k( 206) = ( 0.0000000 0.0000000 0.1178382), wk = 0.0020790 k( 207) = ( 0.0000000 0.0000000 0.1262552), wk = 0.0020790 k( 208) = ( 0.0000000 0.0000000 0.1346723), wk = 0.0020790 k( 209) = ( 0.0000000 0.0000000 0.1430893), wk = 0.0020790 k( 210) = ( 0.0000000 0.0000000 0.1515063), wk = 0.0020790 k( 211) = ( 0.0000000 0.0000000 0.1599233), wk = 0.0020790 k( 212) = ( 0.0000000 0.0000000 0.1683403), wk = 0.0020790 k( 213) = ( 0.0000000 0.0000000 0.1767573), wk = 0.0020790 k( 214) = ( 0.0000000 0.0000000 0.1851744), wk = 0.0020790 k( 215) = ( 0.0000000 0.0000000 0.1935914), wk = 0.0020790 k( 216) = ( 0.0000000 0.0000000 0.2020084), wk = 0.0020790 k( 217) = ( 0.0000000 0.0000000 0.2104254), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.2188424), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.2272594), wk = 0.0020790 k( 220) = ( 0.0000000 0.0000000 0.2356765), wk = 0.0020790 k( 221) = ( 0.0000000 0.0000000 0.2440935), wk = 0.0020790 k( 222) = ( 0.0000000 0.0000000 0.2525105), wk = 0.0020790 k( 223) = ( 0.0000000 0.0000000 0.2609275), wk = 0.0020790 k( 224) = ( 0.0000000 0.0000000 0.2693445), wk = 0.0020790 k( 225) = ( 0.0000000 0.0000000 0.2693445), wk = 0.0020790 k( 226) = ( 0.0072464 0.0041837 0.2693445), wk = 0.0020790 k( 227) = ( 0.0144928 0.0083674 0.2693445), wk = 0.0020790 k( 228) = ( 0.0217391 0.0125511 0.2693445), wk = 0.0020790 k( 229) = ( 0.0289855 0.0167348 0.2693445), wk = 0.0020790 k( 230) = ( 0.0362319 0.0209185 0.2693445), wk = 0.0020790 k( 231) = ( 0.0434783 0.0251022 0.2693445), wk = 0.0020790 k( 232) = ( 0.0507246 0.0292859 0.2693445), wk = 0.0020790 k( 233) = ( 0.0579710 0.0334696 0.2693445), wk = 0.0020790 k( 234) = ( 0.0652174 0.0376533 0.2693445), wk = 0.0020790 k( 235) = ( 0.0724638 0.0418370 0.2693445), wk = 0.0020790 k( 236) = ( 0.0797101 0.0460207 0.2693445), wk = 0.0020790 k( 237) = ( 0.0869565 0.0502044 0.2693445), wk = 0.0020790 k( 238) = ( 0.0942029 0.0543881 0.2693445), wk = 0.0020790 k( 239) = ( 0.1014493 0.0585718 0.2693445), wk = 0.0020790 k( 240) = ( 0.1086957 0.0627555 0.2693445), wk = 0.0020790 k( 241) = ( 0.1159420 0.0669392 0.2693445), wk = 0.0020790 k( 242) = ( 0.1231884 0.0711229 0.2693445), wk = 0.0020790 k( 243) = ( 0.1304348 0.0753066 0.2693445), wk = 0.0020790 k( 244) = ( 0.1376812 0.0794903 0.2693445), wk = 0.0020790 k( 245) = ( 0.1449275 0.0836740 0.2693445), wk = 0.0020790 k( 246) = ( 0.1521739 0.0878576 0.2693445), wk = 0.0020790 k( 247) = ( 0.1594203 0.0920413 0.2693445), wk = 0.0020790 k( 248) = ( 0.1666667 0.0962250 0.2693445), wk = 0.0020790 k( 249) = ( 0.1739130 0.1004087 0.2693445), wk = 0.0020790 k( 250) = ( 0.1811594 0.1045924 0.2693445), wk = 0.0020790 k( 251) = ( 0.1884058 0.1087761 0.2693445), wk = 0.0020790 k( 252) = ( 0.1956522 0.1129598 0.2693445), wk = 0.0020790 k( 253) = ( 0.2028986 0.1171435 0.2693445), wk = 0.0020790 k( 254) = ( 0.2101449 0.1213272 0.2693445), wk = 0.0020790 k( 255) = ( 0.2173913 0.1255109 0.2693445), wk = 0.0020790 k( 256) = ( 0.2246377 0.1296946 0.2693445), wk = 0.0020790 k( 257) = ( 0.2318841 0.1338783 0.2693445), wk = 0.0020790 k( 258) = ( 0.2391304 0.1380620 0.2693445), wk = 0.0020790 k( 259) = ( 0.2463768 0.1422457 0.2693445), wk = 0.0020790 k( 260) = ( 0.2536232 0.1464294 0.2693445), wk = 0.0020790 k( 261) = ( 0.2608696 0.1506131 0.2693445), wk = 0.0020790 k( 262) = ( 0.2681159 0.1547968 0.2693445), wk = 0.0020790 k( 263) = ( 0.2753623 0.1589805 0.2693445), wk = 0.0020790 k( 264) = ( 0.2826087 0.1631642 0.2693445), wk = 0.0020790 k( 265) = ( 0.2898551 0.1673479 0.2693445), wk = 0.0020790 k( 266) = ( 0.2971014 0.1715316 0.2693445), wk = 0.0020790 k( 267) = ( 0.3043478 0.1757153 0.2693445), wk = 0.0020790 k( 268) = ( 0.3115942 0.1798990 0.2693445), wk = 0.0020790 k( 269) = ( 0.3188406 0.1840827 0.2693445), wk = 0.0020790 k( 270) = ( 0.3260870 0.1882664 0.2693445), wk = 0.0020790 k( 271) = ( 0.3333333 0.1924501 0.2693445), wk = 0.0020790 k( 272) = ( 0.3405797 0.1966338 0.2693445), wk = 0.0020790 k( 273) = ( 0.3478261 0.2008175 0.2693445), wk = 0.0020790 k( 274) = ( 0.3550725 0.2050012 0.2693445), wk = 0.0020790 k( 275) = ( 0.3623188 0.2091849 0.2693445), wk = 0.0020790 k( 276) = ( 0.3695652 0.2133686 0.2693445), wk = 0.0020790 k( 277) = ( 0.3768116 0.2175523 0.2693445), wk = 0.0020790 k( 278) = ( 0.3840580 0.2217360 0.2693445), wk = 0.0020790 k( 279) = ( 0.3913044 0.2259197 0.2693445), wk = 0.0020790 k( 280) = ( 0.3985507 0.2301034 0.2693445), wk = 0.0020790 k( 281) = ( 0.4057971 0.2342871 0.2693445), wk = 0.0020790 k( 282) = ( 0.4130435 0.2384708 0.2693445), wk = 0.0020790 k( 283) = ( 0.4202899 0.2426545 0.2693445), wk = 0.0020790 k( 284) = ( 0.4275362 0.2468382 0.2693445), wk = 0.0020790 k( 285) = ( 0.4347826 0.2510219 0.2693445), wk = 0.0020790 k( 286) = ( 0.4420290 0.2552056 0.2693445), wk = 0.0020790 k( 287) = ( 0.4492754 0.2593893 0.2693445), wk = 0.0020790 k( 288) = ( 0.4565217 0.2635729 0.2693445), wk = 0.0020790 k( 289) = ( 0.4637681 0.2677566 0.2693445), wk = 0.0020790 k( 290) = ( 0.4710145 0.2719403 0.2693445), wk = 0.0020790 k( 291) = ( 0.4782609 0.2761240 0.2693445), wk = 0.0020790 k( 292) = ( 0.4855073 0.2803077 0.2693445), wk = 0.0020790 k( 293) = ( 0.4927536 0.2844914 0.2693445), wk = 0.0020790 k( 294) = ( 0.5000000 0.2886751 0.2693445), wk = 0.0020790 k( 295) = ( 0.5000000 0.2886751 0.2693445), wk = 0.0020790 k( 296) = ( 0.4958333 0.2958920 0.2693445), wk = 0.0020790 k( 297) = ( 0.4916667 0.3031089 0.2693445), wk = 0.0020790 k( 298) = ( 0.4875000 0.3103258 0.2693445), wk = 0.0020790 k( 299) = ( 0.4833333 0.3175426 0.2693445), wk = 0.0020790 k( 300) = ( 0.4791667 0.3247595 0.2693445), wk = 0.0020790 k( 301) = ( 0.4750000 0.3319764 0.2693445), wk = 0.0020790 k( 302) = ( 0.4708333 0.3391933 0.2693445), wk = 0.0020790 k( 303) = ( 0.4666667 0.3464102 0.2693445), wk = 0.0020790 k( 304) = ( 0.4625000 0.3536270 0.2693445), wk = 0.0020790 k( 305) = ( 0.4583333 0.3608439 0.2693445), wk = 0.0020790 k( 306) = ( 0.4541667 0.3680608 0.2693445), wk = 0.0020790 k( 307) = ( 0.4500000 0.3752777 0.2693445), wk = 0.0020790 k( 308) = ( 0.4458333 0.3824945 0.2693445), wk = 0.0020790 k( 309) = ( 0.4416667 0.3897114 0.2693445), wk = 0.0020790 k( 310) = ( 0.4375000 0.3969283 0.2693445), wk = 0.0020790 k( 311) = ( 0.4333333 0.4041452 0.2693445), wk = 0.0020790 k( 312) = ( 0.4291667 0.4113621 0.2693445), wk = 0.0020790 k( 313) = ( 0.4250000 0.4185789 0.2693445), wk = 0.0020790 k( 314) = ( 0.4208333 0.4257958 0.2693445), wk = 0.0020790 k( 315) = ( 0.4166667 0.4330127 0.2693445), wk = 0.0020790 k( 316) = ( 0.4125000 0.4402296 0.2693445), wk = 0.0020790 k( 317) = ( 0.4083333 0.4474465 0.2693445), wk = 0.0020790 k( 318) = ( 0.4041667 0.4546633 0.2693445), wk = 0.0020790 k( 319) = ( 0.4000000 0.4618802 0.2693445), wk = 0.0020790 k( 320) = ( 0.3958333 0.4690971 0.2693445), wk = 0.0020790 k( 321) = ( 0.3916667 0.4763140 0.2693445), wk = 0.0020790 k( 322) = ( 0.3875000 0.4835309 0.2693445), wk = 0.0020790 k( 323) = ( 0.3833333 0.4907477 0.2693445), wk = 0.0020790 k( 324) = ( 0.3791667 0.4979646 0.2693445), wk = 0.0020790 k( 325) = ( 0.3750000 0.5051815 0.2693445), wk = 0.0020790 k( 326) = ( 0.3708333 0.5123984 0.2693445), wk = 0.0020790 k( 327) = ( 0.3666667 0.5196152 0.2693445), wk = 0.0020790 k( 328) = ( 0.3625000 0.5268321 0.2693445), wk = 0.0020790 k( 329) = ( 0.3583333 0.5340490 0.2693445), wk = 0.0020790 k( 330) = ( 0.3541667 0.5412659 0.2693445), wk = 0.0020790 k( 331) = ( 0.3500000 0.5484828 0.2693445), wk = 0.0020790 k( 332) = ( 0.3458333 0.5556996 0.2693445), wk = 0.0020790 k( 333) = ( 0.3416667 0.5629165 0.2693445), wk = 0.0020790 k( 334) = ( 0.3375000 0.5701334 0.2693445), wk = 0.0020790 k( 335) = ( 0.3333333 0.5773503 0.2693445), wk = 0.0020790 k( 336) = ( 0.3333333 0.5773503 0.2693445), wk = 0.0020790 k( 337) = ( 0.3291139 0.5700420 0.2693445), wk = 0.0020790 k( 338) = ( 0.3248945 0.5627338 0.2693445), wk = 0.0020790 k( 339) = ( 0.3206751 0.5554256 0.2693445), wk = 0.0020790 k( 340) = ( 0.3164557 0.5481174 0.2693445), wk = 0.0020790 k( 341) = ( 0.3122363 0.5408091 0.2693445), wk = 0.0020790 k( 342) = ( 0.3080169 0.5335009 0.2693445), wk = 0.0020790 k( 343) = ( 0.3037975 0.5261927 0.2693445), wk = 0.0020790 k( 344) = ( 0.2995781 0.5188844 0.2693445), wk = 0.0020790 k( 345) = ( 0.2953587 0.5115762 0.2693445), wk = 0.0020790 k( 346) = ( 0.2911392 0.5042680 0.2693445), wk = 0.0020790 k( 347) = ( 0.2869198 0.4969597 0.2693445), wk = 0.0020790 k( 348) = ( 0.2827004 0.4896515 0.2693445), wk = 0.0020790 k( 349) = ( 0.2784810 0.4823433 0.2693445), wk = 0.0020790 k( 350) = ( 0.2742616 0.4750350 0.2693445), wk = 0.0020790 k( 351) = ( 0.2700422 0.4677268 0.2693445), wk = 0.0020790 k( 352) = ( 0.2658228 0.4604186 0.2693445), wk = 0.0020790 k( 353) = ( 0.2616034 0.4531103 0.2693445), wk = 0.0020790 k( 354) = ( 0.2573840 0.4458021 0.2693445), wk = 0.0020790 k( 355) = ( 0.2531646 0.4384939 0.2693445), wk = 0.0020790 k( 356) = ( 0.2489452 0.4311856 0.2693445), wk = 0.0020790 k( 357) = ( 0.2447257 0.4238774 0.2693445), wk = 0.0020790 k( 358) = ( 0.2405063 0.4165692 0.2693445), wk = 0.0020790 k( 359) = ( 0.2362869 0.4092610 0.2693445), wk = 0.0020790 k( 360) = ( 0.2320675 0.4019527 0.2693445), wk = 0.0020790 k( 361) = ( 0.2278481 0.3946445 0.2693445), wk = 0.0020790 k( 362) = ( 0.2236287 0.3873363 0.2693445), wk = 0.0020790 k( 363) = ( 0.2194093 0.3800280 0.2693445), wk = 0.0020790 k( 364) = ( 0.2151899 0.3727198 0.2693445), wk = 0.0020790 k( 365) = ( 0.2109705 0.3654116 0.2693445), wk = 0.0020790 k( 366) = ( 0.2067510 0.3581033 0.2693445), wk = 0.0020790 k( 367) = ( 0.2025317 0.3507951 0.2693445), wk = 0.0020790 k( 368) = ( 0.1983122 0.3434869 0.2693445), wk = 0.0020790 k( 369) = ( 0.1940928 0.3361786 0.2693445), wk = 0.0020790 k( 370) = ( 0.1898734 0.3288704 0.2693445), wk = 0.0020790 k( 371) = ( 0.1856540 0.3215622 0.2693445), wk = 0.0020790 k( 372) = ( 0.1814346 0.3142539 0.2693445), wk = 0.0020790 k( 373) = ( 0.1772152 0.3069457 0.2693445), wk = 0.0020790 k( 374) = ( 0.1729958 0.2996375 0.2693445), wk = 0.0020790 k( 375) = ( 0.1687764 0.2923292 0.2693445), wk = 0.0020790 k( 376) = ( 0.1645570 0.2850210 0.2693445), wk = 0.0020790 k( 377) = ( 0.1603375 0.2777128 0.2693445), wk = 0.0020790 k( 378) = ( 0.1561181 0.2704046 0.2693445), wk = 0.0020790 k( 379) = ( 0.1518987 0.2630963 0.2693445), wk = 0.0020790 k( 380) = ( 0.1476793 0.2557881 0.2693445), wk = 0.0020790 k( 381) = ( 0.1434599 0.2484799 0.2693445), wk = 0.0020790 k( 382) = ( 0.1392405 0.2411716 0.2693445), wk = 0.0020790 k( 383) = ( 0.1350211 0.2338634 0.2693445), wk = 0.0020790 k( 384) = ( 0.1308017 0.2265552 0.2693445), wk = 0.0020790 k( 385) = ( 0.1265823 0.2192469 0.2693445), wk = 0.0020790 k( 386) = ( 0.1223629 0.2119387 0.2693445), wk = 0.0020790 k( 387) = ( 0.1181435 0.2046305 0.2693445), wk = 0.0020790 k( 388) = ( 0.1139240 0.1973222 0.2693445), wk = 0.0020790 k( 389) = ( 0.1097046 0.1900140 0.2693445), wk = 0.0020790 k( 390) = ( 0.1054852 0.1827058 0.2693445), wk = 0.0020790 k( 391) = ( 0.1012658 0.1753975 0.2693445), wk = 0.0020790 k( 392) = ( 0.0970464 0.1680893 0.2693445), wk = 0.0020790 k( 393) = ( 0.0928270 0.1607811 0.2693445), wk = 0.0020790 k( 394) = ( 0.0886076 0.1534728 0.2693445), wk = 0.0020790 k( 395) = ( 0.0843882 0.1461646 0.2693445), wk = 0.0020790 k( 396) = ( 0.0801688 0.1388564 0.2693445), wk = 0.0020790 k( 397) = ( 0.0759494 0.1315482 0.2693445), wk = 0.0020790 k( 398) = ( 0.0717300 0.1242399 0.2693445), wk = 0.0020790 k( 399) = ( 0.0675106 0.1169317 0.2693445), wk = 0.0020790 k( 400) = ( 0.0632911 0.1096235 0.2693445), wk = 0.0020790 k( 401) = ( 0.0590717 0.1023152 0.2693445), wk = 0.0020790 k( 402) = ( 0.0548523 0.0950070 0.2693445), wk = 0.0020790 k( 403) = ( 0.0506329 0.0876988 0.2693445), wk = 0.0020790 k( 404) = ( 0.0464135 0.0803905 0.2693445), wk = 0.0020790 k( 405) = ( 0.0421941 0.0730823 0.2693445), wk = 0.0020790 k( 406) = ( 0.0379747 0.0657741 0.2693445), wk = 0.0020790 k( 407) = ( 0.0337553 0.0584658 0.2693445), wk = 0.0020790 k( 408) = ( 0.0295359 0.0511576 0.2693445), wk = 0.0020790 k( 409) = ( 0.0253165 0.0438494 0.2693445), wk = 0.0020790 k( 410) = ( 0.0210970 0.0365412 0.2693445), wk = 0.0020790 k( 411) = ( 0.0168776 0.0292329 0.2693445), wk = 0.0020790 k( 412) = ( 0.0126582 0.0219247 0.2693445), wk = 0.0020790 k( 413) = ( 0.0084388 0.0146165 0.2693445), wk = 0.0020790 k( 414) = ( 0.0042194 0.0073082 0.2693445), wk = 0.0020790 k( 415) = ( 0.0000000 0.0000000 0.2693445), wk = 0.0020790 k( 416) = ( 0.5000000 0.2886751 0.2693445), wk = 0.0020790 k( 417) = ( 0.5000000 0.2886751 0.2609275), wk = 0.0020790 k( 418) = ( 0.5000000 0.2886751 0.2525105), wk = 0.0020790 k( 419) = ( 0.5000000 0.2886751 0.2440935), wk = 0.0020790 k( 420) = ( 0.5000000 0.2886751 0.2356765), wk = 0.0020790 k( 421) = ( 0.5000000 0.2886751 0.2272594), wk = 0.0020790 k( 422) = ( 0.5000000 0.2886751 0.2188424), wk = 0.0020790 k( 423) = ( 0.5000000 0.2886751 0.2104254), wk = 0.0020790 k( 424) = ( 0.5000000 0.2886751 0.2020084), wk = 0.0020790 k( 425) = ( 0.5000000 0.2886751 0.1935914), wk = 0.0020790 k( 426) = ( 0.5000000 0.2886751 0.1851744), wk = 0.0020790 k( 427) = ( 0.5000000 0.2886751 0.1767573), wk = 0.0020790 k( 428) = ( 0.5000000 0.2886751 0.1683403), wk = 0.0020790 k( 429) = ( 0.5000000 0.2886751 0.1599233), wk = 0.0020790 k( 430) = ( 0.5000000 0.2886751 0.1515063), wk = 0.0020790 k( 431) = ( 0.5000000 0.2886751 0.1430893), wk = 0.0020790 k( 432) = ( 0.5000000 0.2886751 0.1346723), wk = 0.0020790 k( 433) = ( 0.5000000 0.2886751 0.1262552), wk = 0.0020790 k( 434) = ( 0.5000000 0.2886751 0.1178382), wk = 0.0020790 k( 435) = ( 0.5000000 0.2886751 0.1094212), wk = 0.0020790 k( 436) = ( 0.5000000 0.2886751 0.1010042), wk = 0.0020790 k( 437) = ( 0.5000000 0.2886751 0.0925872), wk = 0.0020790 k( 438) = ( 0.5000000 0.2886751 0.0841702), wk = 0.0020790 k( 439) = ( 0.5000000 0.2886751 0.0757531), wk = 0.0020790 k( 440) = ( 0.5000000 0.2886751 0.0673361), wk = 0.0020790 k( 441) = ( 0.5000000 0.2886751 0.0589191), wk = 0.0020790 k( 442) = ( 0.5000000 0.2886751 0.0505021), wk = 0.0020790 k( 443) = ( 0.5000000 0.2886751 0.0420851), wk = 0.0020790 k( 444) = ( 0.5000000 0.2886751 0.0336681), wk = 0.0020790 k( 445) = ( 0.5000000 0.2886751 0.0252510), wk = 0.0020790 k( 446) = ( 0.5000000 0.2886751 0.0168340), wk = 0.0020790 k( 447) = ( 0.5000000 0.2886751 0.0084170), wk = 0.0020790 k( 448) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020790 k( 449) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020790 k( 450) = ( 0.3333333 0.5773503 0.0084170), wk = 0.0020790 k( 451) = ( 0.3333333 0.5773503 0.0168340), wk = 0.0020790 k( 452) = ( 0.3333333 0.5773503 0.0252510), wk = 0.0020790 k( 453) = ( 0.3333333 0.5773503 0.0336681), wk = 0.0020790 k( 454) = ( 0.3333333 0.5773503 0.0420851), wk = 0.0020790 k( 455) = ( 0.3333333 0.5773503 0.0505021), wk = 0.0020790 k( 456) = ( 0.3333333 0.5773503 0.0589191), wk = 0.0020790 k( 457) = ( 0.3333333 0.5773503 0.0673361), wk = 0.0020790 k( 458) = ( 0.3333333 0.5773503 0.0757531), wk = 0.0020790 k( 459) = ( 0.3333333 0.5773503 0.0841702), wk = 0.0020790 k( 460) = ( 0.3333333 0.5773503 0.0925872), wk = 0.0020790 k( 461) = ( 0.3333333 0.5773503 0.1010042), wk = 0.0020790 k( 462) = ( 0.3333333 0.5773503 0.1094212), wk = 0.0020790 k( 463) = ( 0.3333333 0.5773503 0.1178382), wk = 0.0020790 k( 464) = ( 0.3333333 0.5773503 0.1262552), wk = 0.0020790 k( 465) = ( 0.3333333 0.5773503 0.1346723), wk = 0.0020790 k( 466) = ( 0.3333333 0.5773503 0.1430893), wk = 0.0020790 k( 467) = ( 0.3333333 0.5773503 0.1515063), wk = 0.0020790 k( 468) = ( 0.3333333 0.5773503 0.1599233), wk = 0.0020790 k( 469) = ( 0.3333333 0.5773503 0.1683403), wk = 0.0020790 k( 470) = ( 0.3333333 0.5773503 0.1767573), wk = 0.0020790 k( 471) = ( 0.3333333 0.5773503 0.1851744), wk = 0.0020790 k( 472) = ( 0.3333333 0.5773503 0.1935914), wk = 0.0020790 k( 473) = ( 0.3333333 0.5773503 0.2020084), wk = 0.0020790 k( 474) = ( 0.3333333 0.5773503 0.2104254), wk = 0.0020790 k( 475) = ( 0.3333333 0.5773503 0.2188424), wk = 0.0020790 k( 476) = ( 0.3333333 0.5773503 0.2272594), wk = 0.0020790 k( 477) = ( 0.3333333 0.5773503 0.2356765), wk = 0.0020790 k( 478) = ( 0.3333333 0.5773503 0.2440935), wk = 0.0020790 k( 479) = ( 0.3333333 0.5773503 0.2525105), wk = 0.0020790 k( 480) = ( 0.3333333 0.5773503 0.2609275), wk = 0.0020790 k( 481) = ( 0.3333333 0.5773503 0.2693445), wk = 0.0020790 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 2) = ( 0.0072464 -0.0000000 -0.0000000), wk = 0.0020790 k( 3) = ( 0.0144928 0.0000000 0.0000000), wk = 0.0020790 k( 4) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0020790 k( 5) = ( 0.0289855 0.0000000 0.0000000), wk = 0.0020790 k( 6) = ( 0.0362319 -0.0000000 0.0000000), wk = 0.0020790 k( 7) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0020790 k( 8) = ( 0.0507246 0.0000000 -0.0000000), wk = 0.0020790 k( 9) = ( 0.0579710 0.0000000 0.0000000), wk = 0.0020790 k( 10) = ( 0.0652174 -0.0000000 0.0000000), wk = 0.0020790 k( 11) = ( 0.0724638 0.0000000 -0.0000000), wk = 0.0020790 k( 12) = ( 0.0797101 0.0000000 0.0000000), wk = 0.0020790 k( 13) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0020790 k( 14) = ( 0.0942029 0.0000000 0.0000000), wk = 0.0020790 k( 15) = ( 0.1014493 0.0000000 -0.0000000), wk = 0.0020790 k( 16) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0020790 k( 17) = ( 0.1159420 0.0000000 0.0000000), wk = 0.0020790 k( 18) = ( 0.1231884 0.0000000 -0.0000000), wk = 0.0020790 k( 19) = ( 0.1304348 -0.0000000 0.0000000), wk = 0.0020790 k( 20) = ( 0.1376812 -0.0000000 0.0000000), wk = 0.0020790 k( 21) = ( 0.1449275 0.0000000 -0.0000000), wk = 0.0020790 k( 22) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0020790 k( 23) = ( 0.1594203 0.0000000 -0.0000000), wk = 0.0020790 k( 24) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0020790 k( 25) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0020790 k( 26) = ( 0.1811594 0.0000000 0.0000000), wk = 0.0020790 k( 27) = ( 0.1884058 0.0000000 0.0000000), wk = 0.0020790 k( 28) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0020790 k( 29) = ( 0.2028986 0.0000000 0.0000000), wk = 0.0020790 k( 30) = ( 0.2101449 0.0000000 0.0000000), wk = 0.0020790 k( 31) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0020790 k( 32) = ( 0.2246377 0.0000000 0.0000000), wk = 0.0020790 k( 33) = ( 0.2318841 0.0000000 0.0000000), wk = 0.0020790 k( 34) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0020790 k( 35) = ( 0.2463768 0.0000000 0.0000000), wk = 0.0020790 k( 36) = ( 0.2536232 -0.0000000 -0.0000000), wk = 0.0020790 k( 37) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0020790 k( 38) = ( 0.2681159 -0.0000000 0.0000000), wk = 0.0020790 k( 39) = ( 0.2753623 -0.0000000 0.0000000), wk = 0.0020790 k( 40) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0020790 k( 41) = ( 0.2898551 0.0000000 0.0000000), wk = 0.0020790 k( 42) = ( 0.2971014 0.0000000 0.0000000), wk = 0.0020790 k( 43) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0020790 k( 44) = ( 0.3115942 0.0000000 0.0000000), wk = 0.0020790 k( 45) = ( 0.3188406 0.0000000 -0.0000000), wk = 0.0020790 k( 46) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0020790 k( 47) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0020790 k( 48) = ( 0.3405797 -0.0000000 -0.0000000), wk = 0.0020790 k( 49) = ( 0.3478261 -0.0000000 0.0000000), wk = 0.0020790 k( 50) = ( 0.3550725 0.0000000 0.0000000), wk = 0.0020790 k( 51) = ( 0.3623188 0.0000000 0.0000000), wk = 0.0020790 k( 52) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0020790 k( 53) = ( 0.3768116 0.0000000 0.0000000), wk = 0.0020790 k( 54) = ( 0.3840580 0.0000000 0.0000000), wk = 0.0020790 k( 55) = ( 0.3913044 0.0000000 -0.0000000), wk = 0.0020790 k( 56) = ( 0.3985507 0.0000000 -0.0000000), wk = 0.0020790 k( 57) = ( 0.4057971 0.0000000 0.0000000), wk = 0.0020790 k( 58) = ( 0.4130435 0.0000000 -0.0000000), wk = 0.0020790 k( 59) = ( 0.4202899 0.0000000 0.0000000), wk = 0.0020790 k( 60) = ( 0.4275362 0.0000000 0.0000000), wk = 0.0020790 k( 61) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0020790 k( 62) = ( 0.4420290 0.0000000 0.0000000), wk = 0.0020790 k( 63) = ( 0.4492754 0.0000000 0.0000000), wk = 0.0020790 k( 64) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0020790 k( 65) = ( 0.4637681 0.0000000 0.0000000), wk = 0.0020790 k( 66) = ( 0.4710145 -0.0000000 -0.0000000), wk = 0.0020790 k( 67) = ( 0.4782609 0.0000000 -0.0000000), wk = 0.0020790 k( 68) = ( 0.4855073 0.0000000 -0.0000000), wk = 0.0020790 k( 69) = ( 0.4927536 0.0000000 0.0000000), wk = 0.0020790 k( 70) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020790 k( 71) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020790 k( 72) = ( 0.4958333 0.0083333 0.0000000), wk = 0.0020790 k( 73) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0020790 k( 74) = ( 0.4875000 0.0250000 -0.0000000), wk = 0.0020790 k( 75) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0020790 k( 76) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0020790 k( 77) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0020790 k( 78) = ( 0.4708333 0.0583333 0.0000000), wk = 0.0020790 k( 79) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0020790 k( 80) = ( 0.4625000 0.0750000 0.0000000), wk = 0.0020790 k( 81) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0020790 k( 82) = ( 0.4541667 0.0916667 -0.0000000), wk = 0.0020790 k( 83) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0020790 k( 84) = ( 0.4458333 0.1083333 -0.0000000), wk = 0.0020790 k( 85) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0020790 k( 86) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0020790 k( 87) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0020790 k( 88) = ( 0.4291667 0.1416667 0.0000000), wk = 0.0020790 k( 89) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0020790 k( 90) = ( 0.4208333 0.1583333 0.0000000), wk = 0.0020790 k( 91) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0020790 k( 92) = ( 0.4125000 0.1750000 -0.0000000), wk = 0.0020790 k( 93) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0020790 k( 94) = ( 0.4041667 0.1916667 -0.0000000), wk = 0.0020790 k( 95) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0020790 k( 96) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0020790 k( 97) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0020790 k( 98) = ( 0.3875000 0.2250000 -0.0000000), wk = 0.0020790 k( 99) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0020790 k( 100) = ( 0.3791667 0.2416667 0.0000000), wk = 0.0020790 k( 101) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0020790 k( 102) = ( 0.3708333 0.2583333 0.0000000), wk = 0.0020790 k( 103) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0020790 k( 104) = ( 0.3625000 0.2750000 -0.0000000), wk = 0.0020790 k( 105) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0020790 k( 106) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0020790 k( 107) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0020790 k( 108) = ( 0.3458333 0.3083333 -0.0000000), wk = 0.0020790 k( 109) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0020790 k( 110) = ( 0.3375000 0.3250000 -0.0000000), wk = 0.0020790 k( 111) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020790 k( 112) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020790 k( 113) = ( 0.3291139 0.3291139 -0.0000000), wk = 0.0020790 k( 114) = ( 0.3248945 0.3248945 0.0000000), wk = 0.0020790 k( 115) = ( 0.3206751 0.3206751 0.0000000), wk = 0.0020790 k( 116) = ( 0.3164557 0.3164557 0.0000000), wk = 0.0020790 k( 117) = ( 0.3122363 0.3122363 0.0000000), wk = 0.0020790 k( 118) = ( 0.3080169 0.3080169 -0.0000000), wk = 0.0020790 k( 119) = ( 0.3037975 0.3037975 0.0000000), wk = 0.0020790 k( 120) = ( 0.2995781 0.2995781 0.0000000), wk = 0.0020790 k( 121) = ( 0.2953587 0.2953587 0.0000000), wk = 0.0020790 k( 122) = ( 0.2911392 0.2911392 -0.0000000), wk = 0.0020790 k( 123) = ( 0.2869198 0.2869198 0.0000000), wk = 0.0020790 k( 124) = ( 0.2827004 0.2827004 0.0000000), wk = 0.0020790 k( 125) = ( 0.2784810 0.2784810 0.0000000), wk = 0.0020790 k( 126) = ( 0.2742616 0.2742616 0.0000000), wk = 0.0020790 k( 127) = ( 0.2700422 0.2700422 0.0000000), wk = 0.0020790 k( 128) = ( 0.2658228 0.2658228 -0.0000000), wk = 0.0020790 k( 129) = ( 0.2616034 0.2616034 -0.0000000), wk = 0.0020790 k( 130) = ( 0.2573840 0.2573840 0.0000000), wk = 0.0020790 k( 131) = ( 0.2531646 0.2531646 0.0000000), wk = 0.0020790 k( 132) = ( 0.2489452 0.2489452 0.0000000), wk = 0.0020790 k( 133) = ( 0.2447257 0.2447257 0.0000000), wk = 0.0020790 k( 134) = ( 0.2405063 0.2405063 -0.0000000), wk = 0.0020790 k( 135) = ( 0.2362869 0.2362869 -0.0000000), wk = 0.0020790 k( 136) = ( 0.2320675 0.2320675 -0.0000000), wk = 0.0020790 k( 137) = ( 0.2278481 0.2278481 -0.0000000), wk = 0.0020790 k( 138) = ( 0.2236287 0.2236287 -0.0000000), wk = 0.0020790 k( 139) = ( 0.2194093 0.2194093 -0.0000000), wk = 0.0020790 k( 140) = ( 0.2151899 0.2151899 0.0000000), wk = 0.0020790 k( 141) = ( 0.2109705 0.2109705 0.0000000), wk = 0.0020790 k( 142) = ( 0.2067510 0.2067511 0.0000000), wk = 0.0020790 k( 143) = ( 0.2025317 0.2025317 -0.0000000), wk = 0.0020790 k( 144) = ( 0.1983122 0.1983122 0.0000000), wk = 0.0020790 k( 145) = ( 0.1940928 0.1940928 -0.0000000), wk = 0.0020790 k( 146) = ( 0.1898734 0.1898734 0.0000000), wk = 0.0020790 k( 147) = ( 0.1856540 0.1856540 -0.0000000), wk = 0.0020790 k( 148) = ( 0.1814346 0.1814346 0.0000000), wk = 0.0020790 k( 149) = ( 0.1772152 0.1772152 0.0000000), wk = 0.0020790 k( 150) = ( 0.1729958 0.1729958 -0.0000000), wk = 0.0020790 k( 151) = ( 0.1687764 0.1687764 0.0000000), wk = 0.0020790 k( 152) = ( 0.1645570 0.1645570 -0.0000000), wk = 0.0020790 k( 153) = ( 0.1603375 0.1603375 0.0000000), wk = 0.0020790 k( 154) = ( 0.1561181 0.1561181 0.0000000), wk = 0.0020790 k( 155) = ( 0.1518987 0.1518987 -0.0000000), wk = 0.0020790 k( 156) = ( 0.1476793 0.1476793 -0.0000000), wk = 0.0020790 k( 157) = ( 0.1434599 0.1434599 -0.0000000), wk = 0.0020790 k( 158) = ( 0.1392405 0.1392405 0.0000000), wk = 0.0020790 k( 159) = ( 0.1350211 0.1350211 0.0000000), wk = 0.0020790 k( 160) = ( 0.1308017 0.1308017 -0.0000000), wk = 0.0020790 k( 161) = ( 0.1265823 0.1265823 0.0000000), wk = 0.0020790 k( 162) = ( 0.1223629 0.1223629 0.0000000), wk = 0.0020790 k( 163) = ( 0.1181435 0.1181435 -0.0000000), wk = 0.0020790 k( 164) = ( 0.1139240 0.1139240 -0.0000000), wk = 0.0020790 k( 165) = ( 0.1097046 0.1097046 -0.0000000), wk = 0.0020790 k( 166) = ( 0.1054852 0.1054852 0.0000000), wk = 0.0020790 k( 167) = ( 0.1012658 0.1012658 -0.0000000), wk = 0.0020790 k( 168) = ( 0.0970464 0.0970464 0.0000000), wk = 0.0020790 k( 169) = ( 0.0928270 0.0928270 0.0000000), wk = 0.0020790 k( 170) = ( 0.0886076 0.0886076 0.0000000), wk = 0.0020790 k( 171) = ( 0.0843882 0.0843882 -0.0000000), wk = 0.0020790 k( 172) = ( 0.0801688 0.0801688 0.0000000), wk = 0.0020790 k( 173) = ( 0.0759494 0.0759494 0.0000000), wk = 0.0020790 k( 174) = ( 0.0717300 0.0717300 -0.0000000), wk = 0.0020790 k( 175) = ( 0.0675106 0.0675105 0.0000000), wk = 0.0020790 k( 176) = ( 0.0632911 0.0632911 0.0000000), wk = 0.0020790 k( 177) = ( 0.0590717 0.0590717 -0.0000000), wk = 0.0020790 k( 178) = ( 0.0548523 0.0548523 -0.0000000), wk = 0.0020790 k( 179) = ( 0.0506329 0.0506329 -0.0000000), wk = 0.0020790 k( 180) = ( 0.0464135 0.0464135 0.0000000), wk = 0.0020790 k( 181) = ( 0.0421941 0.0421941 -0.0000000), wk = 0.0020790 k( 182) = ( 0.0379747 0.0379747 0.0000000), wk = 0.0020790 k( 183) = ( 0.0337553 0.0337553 -0.0000000), wk = 0.0020790 k( 184) = ( 0.0295359 0.0295359 -0.0000000), wk = 0.0020790 k( 185) = ( 0.0253165 0.0253165 0.0000000), wk = 0.0020790 k( 186) = ( 0.0210970 0.0210971 0.0000000), wk = 0.0020790 k( 187) = ( 0.0168776 0.0168776 0.0000000), wk = 0.0020790 k( 188) = ( 0.0126582 0.0126582 0.0000000), wk = 0.0020790 k( 189) = ( 0.0084388 0.0084388 0.0000000), wk = 0.0020790 k( 190) = ( 0.0042194 0.0042194 0.0000000), wk = 0.0020790 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020790 k( 193) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0020790 k( 194) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0020790 k( 195) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0020790 k( 196) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020790 k( 197) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0020790 k( 198) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0020790 k( 199) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0020790 k( 200) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020790 k( 201) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0020790 k( 202) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0020790 k( 203) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0020790 k( 204) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020790 k( 205) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0020790 k( 206) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0020790 k( 207) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0020790 k( 208) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020790 k( 209) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0020790 k( 210) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0020790 k( 211) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0020790 k( 212) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020790 k( 213) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0020790 k( 214) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0020790 k( 215) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0020790 k( 216) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020790 k( 217) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0020790 k( 218) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0020790 k( 219) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0020790 k( 220) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020790 k( 221) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0020790 k( 222) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0020790 k( 223) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0020790 k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 k( 226) = ( 0.0072464 -0.0000000 0.5000000), wk = 0.0020790 k( 227) = ( 0.0144928 0.0000000 0.5000000), wk = 0.0020790 k( 228) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0020790 k( 229) = ( 0.0289855 0.0000000 0.5000000), wk = 0.0020790 k( 230) = ( 0.0362319 -0.0000000 0.5000000), wk = 0.0020790 k( 231) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0020790 k( 232) = ( 0.0507246 0.0000000 0.5000000), wk = 0.0020790 k( 233) = ( 0.0579710 0.0000000 0.5000000), wk = 0.0020790 k( 234) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0020790 k( 235) = ( 0.0724638 0.0000000 0.5000000), wk = 0.0020790 k( 236) = ( 0.0797101 0.0000000 0.5000000), wk = 0.0020790 k( 237) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0020790 k( 238) = ( 0.0942029 0.0000000 0.5000000), wk = 0.0020790 k( 239) = ( 0.1014493 0.0000000 0.5000000), wk = 0.0020790 k( 240) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0020790 k( 241) = ( 0.1159420 0.0000000 0.5000000), wk = 0.0020790 k( 242) = ( 0.1231884 0.0000000 0.5000000), wk = 0.0020790 k( 243) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0020790 k( 244) = ( 0.1376812 -0.0000000 0.5000000), wk = 0.0020790 k( 245) = ( 0.1449275 0.0000000 0.5000000), wk = 0.0020790 k( 246) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0020790 k( 247) = ( 0.1594203 0.0000000 0.5000000), wk = 0.0020790 k( 248) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0020790 k( 249) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0020790 k( 250) = ( 0.1811594 0.0000000 0.5000000), wk = 0.0020790 k( 251) = ( 0.1884058 0.0000000 0.5000000), wk = 0.0020790 k( 252) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0020790 k( 253) = ( 0.2028986 0.0000000 0.5000000), wk = 0.0020790 k( 254) = ( 0.2101449 0.0000000 0.5000000), wk = 0.0020790 k( 255) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0020790 k( 256) = ( 0.2246377 0.0000000 0.5000000), wk = 0.0020790 k( 257) = ( 0.2318841 0.0000000 0.5000000), wk = 0.0020790 k( 258) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0020790 k( 259) = ( 0.2463768 0.0000000 0.5000000), wk = 0.0020790 k( 260) = ( 0.2536232 -0.0000000 0.5000000), wk = 0.0020790 k( 261) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0020790 k( 262) = ( 0.2681159 -0.0000000 0.5000000), wk = 0.0020790 k( 263) = ( 0.2753623 -0.0000000 0.5000000), wk = 0.0020790 k( 264) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0020790 k( 265) = ( 0.2898551 0.0000000 0.5000000), wk = 0.0020790 k( 266) = ( 0.2971014 0.0000000 0.5000000), wk = 0.0020790 k( 267) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0020790 k( 268) = ( 0.3115942 0.0000000 0.5000000), wk = 0.0020790 k( 269) = ( 0.3188406 0.0000000 0.5000000), wk = 0.0020790 k( 270) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0020790 k( 271) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0020790 k( 272) = ( 0.3405797 -0.0000000 0.5000000), wk = 0.0020790 k( 273) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0020790 k( 274) = ( 0.3550725 0.0000000 0.5000000), wk = 0.0020790 k( 275) = ( 0.3623188 0.0000000 0.5000000), wk = 0.0020790 k( 276) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0020790 k( 277) = ( 0.3768116 0.0000000 0.5000000), wk = 0.0020790 k( 278) = ( 0.3840580 0.0000000 0.5000000), wk = 0.0020790 k( 279) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0020790 k( 280) = ( 0.3985507 0.0000000 0.5000000), wk = 0.0020790 k( 281) = ( 0.4057971 0.0000000 0.5000000), wk = 0.0020790 k( 282) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0020790 k( 283) = ( 0.4202899 0.0000000 0.5000000), wk = 0.0020790 k( 284) = ( 0.4275362 0.0000000 0.5000000), wk = 0.0020790 k( 285) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0020790 k( 286) = ( 0.4420290 0.0000000 0.5000000), wk = 0.0020790 k( 287) = ( 0.4492754 0.0000000 0.5000000), wk = 0.0020790 k( 288) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0020790 k( 289) = ( 0.4637681 0.0000000 0.5000000), wk = 0.0020790 k( 290) = ( 0.4710145 -0.0000000 0.5000000), wk = 0.0020790 k( 291) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0020790 k( 292) = ( 0.4855073 0.0000000 0.5000000), wk = 0.0020790 k( 293) = ( 0.4927536 0.0000000 0.5000000), wk = 0.0020790 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 k( 296) = ( 0.4958333 0.0083333 0.5000000), wk = 0.0020790 k( 297) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0020790 k( 298) = ( 0.4875000 0.0250000 0.5000000), wk = 0.0020790 k( 299) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0020790 k( 300) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0020790 k( 301) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0020790 k( 302) = ( 0.4708333 0.0583333 0.5000000), wk = 0.0020790 k( 303) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020790 k( 304) = ( 0.4625000 0.0750000 0.5000000), wk = 0.0020790 k( 305) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0020790 k( 306) = ( 0.4541667 0.0916667 0.5000000), wk = 0.0020790 k( 307) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0020790 k( 308) = ( 0.4458333 0.1083333 0.5000000), wk = 0.0020790 k( 309) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0020790 k( 310) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0020790 k( 311) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020790 k( 312) = ( 0.4291667 0.1416667 0.5000000), wk = 0.0020790 k( 313) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0020790 k( 314) = ( 0.4208333 0.1583333 0.5000000), wk = 0.0020790 k( 315) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020790 k( 316) = ( 0.4125000 0.1750000 0.5000000), wk = 0.0020790 k( 317) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0020790 k( 318) = ( 0.4041667 0.1916667 0.5000000), wk = 0.0020790 k( 319) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020790 k( 320) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0020790 k( 321) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0020790 k( 322) = ( 0.3875000 0.2250000 0.5000000), wk = 0.0020790 k( 323) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0020790 k( 324) = ( 0.3791667 0.2416667 0.5000000), wk = 0.0020790 k( 325) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0020790 k( 326) = ( 0.3708333 0.2583333 0.5000000), wk = 0.0020790 k( 327) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020790 k( 328) = ( 0.3625000 0.2750000 0.5000000), wk = 0.0020790 k( 329) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0020790 k( 330) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0020790 k( 331) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0020790 k( 332) = ( 0.3458333 0.3083333 0.5000000), wk = 0.0020790 k( 333) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0020790 k( 334) = ( 0.3375000 0.3250000 0.5000000), wk = 0.0020790 k( 335) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020790 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020790 k( 337) = ( 0.3291139 0.3291139 0.5000000), wk = 0.0020790 k( 338) = ( 0.3248945 0.3248945 0.5000000), wk = 0.0020790 k( 339) = ( 0.3206751 0.3206751 0.5000000), wk = 0.0020790 k( 340) = ( 0.3164557 0.3164557 0.5000000), wk = 0.0020790 k( 341) = ( 0.3122363 0.3122363 0.5000000), wk = 0.0020790 k( 342) = ( 0.3080169 0.3080169 0.5000000), wk = 0.0020790 k( 343) = ( 0.3037975 0.3037975 0.5000000), wk = 0.0020790 k( 344) = ( 0.2995781 0.2995781 0.5000000), wk = 0.0020790 k( 345) = ( 0.2953587 0.2953587 0.5000000), wk = 0.0020790 k( 346) = ( 0.2911392 0.2911392 0.5000000), wk = 0.0020790 k( 347) = ( 0.2869198 0.2869198 0.5000000), wk = 0.0020790 k( 348) = ( 0.2827004 0.2827004 0.5000000), wk = 0.0020790 k( 349) = ( 0.2784810 0.2784810 0.5000000), wk = 0.0020790 k( 350) = ( 0.2742616 0.2742616 0.5000000), wk = 0.0020790 k( 351) = ( 0.2700422 0.2700422 0.5000000), wk = 0.0020790 k( 352) = ( 0.2658228 0.2658228 0.5000000), wk = 0.0020790 k( 353) = ( 0.2616034 0.2616034 0.5000000), wk = 0.0020790 k( 354) = ( 0.2573840 0.2573840 0.5000000), wk = 0.0020790 k( 355) = ( 0.2531646 0.2531646 0.5000000), wk = 0.0020790 k( 356) = ( 0.2489452 0.2489452 0.5000000), wk = 0.0020790 k( 357) = ( 0.2447257 0.2447257 0.5000000), wk = 0.0020790 k( 358) = ( 0.2405063 0.2405063 0.5000000), wk = 0.0020790 k( 359) = ( 0.2362869 0.2362869 0.5000000), wk = 0.0020790 k( 360) = ( 0.2320675 0.2320675 0.5000000), wk = 0.0020790 k( 361) = ( 0.2278481 0.2278481 0.5000000), wk = 0.0020790 k( 362) = ( 0.2236287 0.2236287 0.5000000), wk = 0.0020790 k( 363) = ( 0.2194093 0.2194093 0.5000000), wk = 0.0020790 k( 364) = ( 0.2151899 0.2151899 0.5000000), wk = 0.0020790 k( 365) = ( 0.2109705 0.2109705 0.5000000), wk = 0.0020790 k( 366) = ( 0.2067510 0.2067511 0.5000000), wk = 0.0020790 k( 367) = ( 0.2025317 0.2025317 0.5000000), wk = 0.0020790 k( 368) = ( 0.1983122 0.1983122 0.5000000), wk = 0.0020790 k( 369) = ( 0.1940928 0.1940928 0.5000000), wk = 0.0020790 k( 370) = ( 0.1898734 0.1898734 0.5000000), wk = 0.0020790 k( 371) = ( 0.1856540 0.1856540 0.5000000), wk = 0.0020790 k( 372) = ( 0.1814346 0.1814346 0.5000000), wk = 0.0020790 k( 373) = ( 0.1772152 0.1772152 0.5000000), wk = 0.0020790 k( 374) = ( 0.1729958 0.1729958 0.5000000), wk = 0.0020790 k( 375) = ( 0.1687764 0.1687764 0.5000000), wk = 0.0020790 k( 376) = ( 0.1645570 0.1645570 0.5000000), wk = 0.0020790 k( 377) = ( 0.1603375 0.1603375 0.5000000), wk = 0.0020790 k( 378) = ( 0.1561181 0.1561181 0.5000000), wk = 0.0020790 k( 379) = ( 0.1518987 0.1518987 0.5000000), wk = 0.0020790 k( 380) = ( 0.1476793 0.1476793 0.5000000), wk = 0.0020790 k( 381) = ( 0.1434599 0.1434599 0.5000000), wk = 0.0020790 k( 382) = ( 0.1392405 0.1392405 0.5000000), wk = 0.0020790 k( 383) = ( 0.1350211 0.1350211 0.5000000), wk = 0.0020790 k( 384) = ( 0.1308017 0.1308017 0.5000000), wk = 0.0020790 k( 385) = ( 0.1265823 0.1265823 0.5000000), wk = 0.0020790 k( 386) = ( 0.1223629 0.1223629 0.5000000), wk = 0.0020790 k( 387) = ( 0.1181435 0.1181435 0.5000000), wk = 0.0020790 k( 388) = ( 0.1139240 0.1139240 0.5000000), wk = 0.0020790 k( 389) = ( 0.1097046 0.1097046 0.5000000), wk = 0.0020790 k( 390) = ( 0.1054852 0.1054852 0.5000000), wk = 0.0020790 k( 391) = ( 0.1012658 0.1012658 0.5000000), wk = 0.0020790 k( 392) = ( 0.0970464 0.0970464 0.5000000), wk = 0.0020790 k( 393) = ( 0.0928270 0.0928270 0.5000000), wk = 0.0020790 k( 394) = ( 0.0886076 0.0886076 0.5000000), wk = 0.0020790 k( 395) = ( 0.0843882 0.0843882 0.5000000), wk = 0.0020790 k( 396) = ( 0.0801688 0.0801688 0.5000000), wk = 0.0020790 k( 397) = ( 0.0759494 0.0759494 0.5000000), wk = 0.0020790 k( 398) = ( 0.0717300 0.0717300 0.5000000), wk = 0.0020790 k( 399) = ( 0.0675106 0.0675105 0.5000000), wk = 0.0020790 k( 400) = ( 0.0632911 0.0632911 0.5000000), wk = 0.0020790 k( 401) = ( 0.0590717 0.0590717 0.5000000), wk = 0.0020790 k( 402) = ( 0.0548523 0.0548523 0.5000000), wk = 0.0020790 k( 403) = ( 0.0506329 0.0506329 0.5000000), wk = 0.0020790 k( 404) = ( 0.0464135 0.0464135 0.5000000), wk = 0.0020790 k( 405) = ( 0.0421941 0.0421941 0.5000000), wk = 0.0020790 k( 406) = ( 0.0379747 0.0379747 0.5000000), wk = 0.0020790 k( 407) = ( 0.0337553 0.0337553 0.5000000), wk = 0.0020790 k( 408) = ( 0.0295359 0.0295359 0.5000000), wk = 0.0020790 k( 409) = ( 0.0253165 0.0253165 0.5000000), wk = 0.0020790 k( 410) = ( 0.0210970 0.0210971 0.5000000), wk = 0.0020790 k( 411) = ( 0.0168776 0.0168776 0.5000000), wk = 0.0020790 k( 412) = ( 0.0126582 0.0126582 0.5000000), wk = 0.0020790 k( 413) = ( 0.0084388 0.0084388 0.5000000), wk = 0.0020790 k( 414) = ( 0.0042194 0.0042194 0.5000000), wk = 0.0020790 k( 415) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020790 k( 416) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020790 k( 417) = ( 0.5000000 0.0000000 0.4843750), wk = 0.0020790 k( 418) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0020790 k( 419) = ( 0.5000000 0.0000000 0.4531250), wk = 0.0020790 k( 420) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0020790 k( 421) = ( 0.5000000 0.0000000 0.4218750), wk = 0.0020790 k( 422) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0020790 k( 423) = ( 0.5000000 0.0000000 0.3906250), wk = 0.0020790 k( 424) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020790 k( 425) = ( 0.5000000 0.0000000 0.3593750), wk = 0.0020790 k( 426) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0020790 k( 427) = ( 0.5000000 0.0000000 0.3281250), wk = 0.0020790 k( 428) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0020790 k( 429) = ( 0.5000000 0.0000000 0.2968750), wk = 0.0020790 k( 430) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0020790 k( 431) = ( 0.5000000 0.0000000 0.2656250), wk = 0.0020790 k( 432) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020790 k( 433) = ( 0.5000000 0.0000000 0.2343750), wk = 0.0020790 k( 434) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0020790 k( 435) = ( 0.5000000 0.0000000 0.2031250), wk = 0.0020790 k( 436) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0020790 k( 437) = ( 0.5000000 0.0000000 0.1718750), wk = 0.0020790 k( 438) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0020790 k( 439) = ( 0.5000000 0.0000000 0.1406250), wk = 0.0020790 k( 440) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020790 k( 441) = ( 0.5000000 0.0000000 0.1093750), wk = 0.0020790 k( 442) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0020790 k( 443) = ( 0.5000000 0.0000000 0.0781250), wk = 0.0020790 k( 444) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0020790 k( 445) = ( 0.5000000 0.0000000 0.0468750), wk = 0.0020790 k( 446) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0020790 k( 447) = ( 0.5000000 0.0000000 0.0156250), wk = 0.0020790 k( 448) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020790 k( 449) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020790 k( 450) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0020790 k( 451) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0020790 k( 452) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0020790 k( 453) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0020790 k( 454) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0020790 k( 455) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0020790 k( 456) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0020790 k( 457) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020790 k( 458) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0020790 k( 459) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0020790 k( 460) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0020790 k( 461) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0020790 k( 462) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0020790 k( 463) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0020790 k( 464) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0020790 k( 465) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020790 k( 466) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0020790 k( 467) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0020790 k( 468) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0020790 k( 469) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0020790 k( 470) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0020790 k( 471) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0020790 k( 472) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0020790 k( 473) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020790 k( 474) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0020790 k( 475) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0020790 k( 476) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0020790 k( 477) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0020790 k( 478) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0020790 k( 479) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0020790 k( 480) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0020790 k( 481) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020790 Dense grid: 15727 G-vectors FFT dimensions: ( 27, 27, 50) Smooth grid: 8343 G-vectors FFT dimensions: ( 24, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 72, 32) NL pseudopotentials 0.04 Mb ( 36, 68) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 440) G-vector shells 0.00 Mb ( 207) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 72, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Zn.save/charge-density.dat Starting wfc are 36 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 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.6 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.3 secs Computing kpt #: 21 total cpu time spent up to now is 4.4 secs Computing kpt #: 22 total cpu time spent up to now is 4.5 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.3 secs Computing kpt #: 29 total cpu time spent up to now is 5.5 secs Computing kpt #: 30 total cpu time spent up to now is 5.7 secs Computing kpt #: 31 total cpu time spent up to now is 5.9 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.6 secs Computing kpt #: 37 total cpu time spent up to now is 6.7 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.0 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.5 secs Computing kpt #: 44 total cpu time spent up to now is 7.6 secs Computing kpt #: 45 total cpu time spent up to now is 7.7 secs Computing kpt #: 46 total cpu time spent up to now is 7.8 secs Computing kpt #: 47 total cpu time spent up to now is 8.0 secs Computing kpt #: 48 total cpu time spent up to now is 8.1 secs Computing kpt #: 49 total cpu time spent up to now is 8.2 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 secs Computing kpt #: 51 total cpu time spent up to now is 8.4 secs Computing kpt #: 52 total cpu time spent up to now is 8.5 secs Computing kpt #: 53 total cpu time spent up to now is 8.7 secs Computing kpt #: 54 total cpu time spent up to now is 8.8 secs Computing kpt #: 55 total cpu time spent up to now is 8.9 secs Computing kpt #: 56 total cpu time spent up to now is 9.0 secs Computing kpt #: 57 total cpu time spent up to now is 9.0 secs Computing kpt #: 58 total cpu time spent up to now is 9.1 secs Computing kpt #: 59 total cpu time spent up to now is 9.2 secs Computing kpt #: 60 total cpu time spent up to now is 9.3 secs Computing kpt #: 61 total cpu time spent up to now is 9.4 secs Computing kpt #: 62 total cpu time spent up to now is 9.5 secs Computing kpt #: 63 total cpu time spent up to now is 9.6 secs Computing kpt #: 64 total cpu time spent up to now is 9.7 secs Computing kpt #: 65 total cpu time spent up to now is 9.8 secs Computing kpt #: 66 total cpu time spent up to now is 9.9 secs Computing kpt #: 67 total cpu time spent up to now is 10.0 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.2 secs Computing kpt #: 71 total cpu time spent up to now is 10.3 secs Computing kpt #: 72 total cpu time spent up to now is 10.4 secs Computing kpt #: 73 total cpu time spent up to now is 10.5 secs Computing kpt #: 74 total cpu time spent up to now is 10.6 secs Computing kpt #: 75 total cpu time spent up to now is 10.7 secs Computing kpt #: 76 total cpu time spent up to now is 10.8 secs Computing kpt #: 77 total cpu time spent up to now is 10.9 secs Computing kpt #: 78 total cpu time spent up to now is 11.0 secs Computing kpt #: 79 total cpu time spent up to now is 11.1 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.5 secs Computing kpt #: 84 total cpu time spent up to now is 11.6 secs Computing kpt #: 85 total cpu time spent up to now is 11.7 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 12.0 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.2 secs Computing kpt #: 90 total cpu time spent up to now is 12.3 secs Computing kpt #: 91 total cpu time spent up to now is 12.4 secs Computing kpt #: 92 total cpu time spent up to now is 12.5 secs Computing kpt #: 93 total cpu time spent up to now is 12.6 secs Computing kpt #: 94 total cpu time spent up to now is 12.7 secs Computing kpt #: 95 total cpu time spent up to now is 12.8 secs Computing kpt #: 96 total cpu time spent up to now is 13.0 secs Computing kpt #: 97 total cpu time spent up to now is 13.1 secs Computing kpt #: 98 total cpu time spent up to now is 13.2 secs Computing kpt #: 99 total cpu time spent up to now is 13.3 secs Computing kpt #: 100 total cpu time spent up to now is 13.4 secs Computing kpt #: 101 total cpu time spent up to now is 13.5 secs Computing kpt #: 102 total cpu time spent up to now is 13.6 secs Computing kpt #: 103 total cpu time spent up to now is 13.7 secs Computing kpt #: 104 total cpu time spent up to now is 13.8 secs Computing kpt #: 105 total cpu time spent up to now is 13.9 secs Computing kpt #: 106 total cpu time spent up to now is 14.0 secs Computing kpt #: 107 total cpu time spent up to now is 14.1 secs Computing kpt #: 108 total cpu time spent up to now is 14.2 secs Computing kpt #: 109 total cpu time spent up to now is 14.3 secs Computing kpt #: 110 total cpu time spent up to now is 14.5 secs Computing kpt #: 111 total cpu time spent up to now is 14.6 secs Computing kpt #: 112 total cpu time spent up to now is 14.8 secs Computing kpt #: 113 total cpu time spent up to now is 14.9 secs Computing kpt #: 114 total cpu time spent up to now is 15.0 secs Computing kpt #: 115 total cpu time spent up to now is 15.1 secs Computing kpt #: 116 total cpu time spent up to now is 15.2 secs Computing kpt #: 117 total cpu time spent up to now is 15.3 secs Computing kpt #: 118 total cpu time spent up to now is 15.4 secs Computing kpt #: 119 total cpu time spent up to now is 15.5 secs Computing kpt #: 120 total cpu time spent up to now is 15.6 secs Computing kpt #: 121 total cpu time spent up to now is 15.7 secs Computing kpt #: 122 total cpu time spent up to now is 15.8 secs Computing kpt #: 123 total cpu time spent up to now is 15.9 secs Computing kpt #: 124 total cpu time spent up to now is 16.0 secs Computing kpt #: 125 total cpu time spent up to now is 16.1 secs Computing kpt #: 126 total cpu time spent up to now is 16.3 secs Computing kpt #: 127 total cpu time spent up to now is 16.4 secs Computing kpt #: 128 total cpu time spent up to now is 16.5 secs Computing kpt #: 129 total cpu time spent up to now is 16.6 secs Computing kpt #: 130 total cpu time spent up to now is 16.7 secs Computing kpt #: 131 total cpu time spent up to now is 16.8 secs Computing kpt #: 132 total cpu time spent up to now is 16.9 secs Computing kpt #: 133 total cpu time spent up to now is 17.0 secs Computing kpt #: 134 total cpu time spent up to now is 17.2 secs Computing kpt #: 135 total cpu time spent up to now is 17.3 secs Computing kpt #: 136 total cpu time spent up to now is 17.4 secs Computing kpt #: 137 total cpu time spent up to now is 17.5 secs Computing kpt #: 138 total cpu time spent up to now is 17.6 secs Computing kpt #: 139 total cpu time spent up to now is 17.8 secs Computing kpt #: 140 total cpu time spent up to now is 17.9 secs Computing kpt #: 141 total cpu time spent up to now is 18.0 secs Computing kpt #: 142 total cpu time spent up to now is 18.1 secs Computing kpt #: 143 total cpu time spent up to now is 18.3 secs Computing kpt #: 144 total cpu time spent up to now is 18.4 secs Computing kpt #: 145 total cpu time spent up to now is 18.5 secs Computing kpt #: 146 total cpu time spent up to now is 18.6 secs Computing kpt #: 147 total cpu time spent up to now is 18.8 secs Computing kpt #: 148 total cpu time spent up to now is 18.9 secs Computing kpt #: 149 total cpu time spent up to now is 19.1 secs Computing kpt #: 150 total cpu time spent up to now is 19.3 secs Computing kpt #: 151 total cpu time spent up to now is 19.5 secs Computing kpt #: 152 total cpu time spent up to now is 19.7 secs Computing kpt #: 153 total cpu time spent up to now is 19.9 secs Computing kpt #: 154 total cpu time spent up to now is 20.1 secs Computing kpt #: 155 total cpu time spent up to now is 20.3 secs Computing kpt #: 156 total cpu time spent up to now is 20.5 secs Computing kpt #: 157 total cpu time spent up to now is 20.7 secs Computing kpt #: 158 total cpu time spent up to now is 20.9 secs Computing kpt #: 159 total cpu time spent up to now is 21.0 secs Computing kpt #: 160 total cpu time spent up to now is 21.2 secs Computing kpt #: 161 total cpu time spent up to now is 21.3 secs Computing kpt #: 162 total cpu time spent up to now is 21.4 secs Computing kpt #: 163 total cpu time spent up to now is 21.5 secs Computing kpt #: 164 total cpu time spent up to now is 21.6 secs Computing kpt #: 165 total cpu time spent up to now is 21.7 secs Computing kpt #: 166 total cpu time spent up to now is 21.9 secs Computing kpt #: 167 total cpu time spent up to now is 22.0 secs Computing kpt #: 168 total cpu time spent up to now is 22.1 secs Computing kpt #: 169 total cpu time spent up to now is 22.2 secs Computing kpt #: 170 total cpu time spent up to now is 22.3 secs Computing kpt #: 171 total cpu time spent up to now is 22.5 secs Computing kpt #: 172 total cpu time spent up to now is 22.6 secs Computing kpt #: 173 total cpu time spent up to now is 22.7 secs Computing kpt #: 174 total cpu time spent up to now is 22.8 secs Computing kpt #: 175 total cpu time spent up to now is 22.9 secs Computing kpt #: 176 total cpu time spent up to now is 23.0 secs Computing kpt #: 177 total cpu time spent up to now is 23.2 secs Computing kpt #: 178 total cpu time spent up to now is 23.3 secs Computing kpt #: 179 total cpu time spent up to now is 23.4 secs Computing kpt #: 180 total cpu time spent up to now is 23.5 secs Computing kpt #: 181 total cpu time spent up to now is 23.6 secs Computing kpt #: 182 total cpu time spent up to now is 23.8 secs Computing kpt #: 183 total cpu time spent up to now is 23.9 secs Computing kpt #: 184 total cpu time spent up to now is 24.0 secs Computing kpt #: 185 total cpu time spent up to now is 24.1 secs Computing kpt #: 186 total cpu time spent up to now is 24.3 secs Computing kpt #: 187 total cpu time spent up to now is 24.4 secs Computing kpt #: 188 total cpu time spent up to now is 24.6 secs Computing kpt #: 189 total cpu time spent up to now is 24.7 secs Computing kpt #: 190 total cpu time spent up to now is 24.9 secs Computing kpt #: 191 total cpu time spent up to now is 25.0 secs Computing kpt #: 192 total cpu time spent up to now is 25.2 secs Computing kpt #: 193 total cpu time spent up to now is 25.4 secs Computing kpt #: 194 total cpu time spent up to now is 25.6 secs Computing kpt #: 195 total cpu time spent up to now is 25.8 secs Computing kpt #: 196 total cpu time spent up to now is 25.9 secs Computing kpt #: 197 total cpu time spent up to now is 26.0 secs Computing kpt #: 198 total cpu time spent up to now is 26.2 secs Computing kpt #: 199 total cpu time spent up to now is 26.3 secs Computing kpt #: 200 total cpu time spent up to now is 26.5 secs Computing kpt #: 201 total cpu time spent up to now is 26.6 secs Computing kpt #: 202 total cpu time spent up to now is 26.7 secs Computing kpt #: 203 total cpu time spent up to now is 26.8 secs Computing kpt #: 204 total cpu time spent up to now is 26.9 secs Computing kpt #: 205 total cpu time spent up to now is 27.1 secs Computing kpt #: 206 total cpu time spent up to now is 27.2 secs Computing kpt #: 207 total cpu time spent up to now is 27.3 secs Computing kpt #: 208 total cpu time spent up to now is 27.4 secs Computing kpt #: 209 total cpu time spent up to now is 27.6 secs Computing kpt #: 210 total cpu time spent up to now is 27.7 secs Computing kpt #: 211 total cpu time spent up to now is 27.8 secs Computing kpt #: 212 total cpu time spent up to now is 27.9 secs Computing kpt #: 213 total cpu time spent up to now is 28.1 secs Computing kpt #: 214 total cpu time spent up to now is 28.2 secs Computing kpt #: 215 total cpu time spent up to now is 28.3 secs Computing kpt #: 216 total cpu time spent up to now is 28.5 secs Computing kpt #: 217 total cpu time spent up to now is 28.6 secs Computing kpt #: 218 total cpu time spent up to now is 28.8 secs Computing kpt #: 219 total cpu time spent up to now is 28.9 secs Computing kpt #: 220 total cpu time spent up to now is 29.1 secs Computing kpt #: 221 total cpu time spent up to now is 29.3 secs Computing kpt #: 222 total cpu time spent up to now is 29.5 secs Computing kpt #: 223 total cpu time spent up to now is 29.6 secs Computing kpt #: 224 total cpu time spent up to now is 29.8 secs Computing kpt #: 225 total cpu time spent up to now is 29.9 secs Computing kpt #: 226 total cpu time spent up to now is 30.1 secs Computing kpt #: 227 total cpu time spent up to now is 30.2 secs Computing kpt #: 228 total cpu time spent up to now is 30.4 secs Computing kpt #: 229 total cpu time spent up to now is 30.5 secs Computing kpt #: 230 total cpu time spent up to now is 30.7 secs Computing kpt #: 231 total cpu time spent up to now is 30.8 secs Computing kpt #: 232 total cpu time spent up to now is 30.9 secs Computing kpt #: 233 total cpu time spent up to now is 31.1 secs Computing kpt #: 234 total cpu time spent up to now is 31.2 secs Computing kpt #: 235 total cpu time spent up to now is 31.3 secs Computing kpt #: 236 total cpu time spent up to now is 31.5 secs Computing kpt #: 237 total cpu time spent up to now is 31.6 secs Computing kpt #: 238 total cpu time spent up to now is 31.7 secs Computing kpt #: 239 total cpu time spent up to now is 31.8 secs Computing kpt #: 240 total cpu time spent up to now is 32.0 secs Computing kpt #: 241 total cpu time spent up to now is 32.1 secs Computing kpt #: 242 total cpu time spent up to now is 32.2 secs Computing kpt #: 243 total cpu time spent up to now is 32.3 secs Computing kpt #: 244 total cpu time spent up to now is 32.4 secs Computing kpt #: 245 total cpu time spent up to now is 32.5 secs Computing kpt #: 246 total cpu time spent up to now is 32.7 secs Computing kpt #: 247 total cpu time spent up to now is 32.8 secs Computing kpt #: 248 total cpu time spent up to now is 32.9 secs Computing kpt #: 249 total cpu time spent up to now is 33.0 secs Computing kpt #: 250 total cpu time spent up to now is 33.1 secs Computing kpt #: 251 total cpu time spent up to now is 33.2 secs Computing kpt #: 252 total cpu time spent up to now is 33.3 secs Computing kpt #: 253 total cpu time spent up to now is 33.4 secs Computing kpt #: 254 total cpu time spent up to now is 33.5 secs Computing kpt #: 255 total cpu time spent up to now is 33.6 secs Computing kpt #: 256 total cpu time spent up to now is 33.7 secs Computing kpt #: 257 total cpu time spent up to now is 33.8 secs Computing kpt #: 258 total cpu time spent up to now is 33.9 secs Computing kpt #: 259 total cpu time spent up to now is 34.0 secs Computing kpt #: 260 total cpu time spent up to now is 34.1 secs Computing kpt #: 261 total cpu time spent up to now is 34.2 secs Computing kpt #: 262 total cpu time spent up to now is 34.3 secs Computing kpt #: 263 total cpu time spent up to now is 34.4 secs Computing kpt #: 264 total cpu time spent up to now is 34.5 secs Computing kpt #: 265 total cpu time spent up to now is 34.6 secs Computing kpt #: 266 total cpu time spent up to now is 34.7 secs Computing kpt #: 267 total cpu time spent up to now is 34.8 secs Computing kpt #: 268 total cpu time spent up to now is 34.9 secs Computing kpt #: 269 total cpu time spent up to now is 35.0 secs Computing kpt #: 270 total cpu time spent up to now is 35.1 secs Computing kpt #: 271 total cpu time spent up to now is 35.2 secs Computing kpt #: 272 total cpu time spent up to now is 35.3 secs Computing kpt #: 273 total cpu time spent up to now is 35.4 secs Computing kpt #: 274 total cpu time spent up to now is 35.6 secs Computing kpt #: 275 total cpu time spent up to now is 35.7 secs Computing kpt #: 276 total cpu time spent up to now is 35.8 secs Computing kpt #: 277 total cpu time spent up to now is 35.9 secs Computing kpt #: 278 total cpu time spent up to now is 36.0 secs Computing kpt #: 279 total cpu time spent up to now is 36.1 secs Computing kpt #: 280 total cpu time spent up to now is 36.2 secs Computing kpt #: 281 total cpu time spent up to now is 36.3 secs Computing kpt #: 282 total cpu time spent up to now is 36.4 secs Computing kpt #: 283 total cpu time spent up to now is 36.5 secs Computing kpt #: 284 total cpu time spent up to now is 36.6 secs Computing kpt #: 285 total cpu time spent up to now is 36.7 secs Computing kpt #: 286 total cpu time spent up to now is 36.8 secs Computing kpt #: 287 total cpu time spent up to now is 36.9 secs Computing kpt #: 288 total cpu time spent up to now is 37.0 secs Computing kpt #: 289 total cpu time spent up to now is 37.1 secs Computing kpt #: 290 total cpu time spent up to now is 37.2 secs Computing kpt #: 291 total cpu time spent up to now is 37.3 secs Computing kpt #: 292 total cpu time spent up to now is 37.4 secs Computing kpt #: 293 total cpu time spent up to now is 37.5 secs Computing kpt #: 294 total cpu time spent up to now is 37.7 secs Computing kpt #: 295 total cpu time spent up to now is 37.8 secs Computing kpt #: 296 total cpu time spent up to now is 37.9 secs Computing kpt #: 297 total cpu time spent up to now is 38.0 secs Computing kpt #: 298 total cpu time spent up to now is 38.1 secs Computing kpt #: 299 total cpu time spent up to now is 38.2 secs Computing kpt #: 300 total cpu time spent up to now is 38.4 secs Computing kpt #: 301 total cpu time spent up to now is 38.5 secs Computing kpt #: 302 total cpu time spent up to now is 38.6 secs Computing kpt #: 303 total cpu time spent up to now is 38.7 secs Computing kpt #: 304 total cpu time spent up to now is 38.9 secs Computing kpt #: 305 total cpu time spent up to now is 39.0 secs Computing kpt #: 306 total cpu time spent up to now is 39.1 secs Computing kpt #: 307 total cpu time spent up to now is 39.2 secs Computing kpt #: 308 total cpu time spent up to now is 39.4 secs Computing kpt #: 309 total cpu time spent up to now is 39.5 secs Computing kpt #: 310 total cpu time spent up to now is 39.6 secs Computing kpt #: 311 total cpu time spent up to now is 39.7 secs Computing kpt #: 312 total cpu time spent up to now is 39.8 secs Computing kpt #: 313 total cpu time spent up to now is 39.9 secs Computing kpt #: 314 total cpu time spent up to now is 40.1 secs Computing kpt #: 315 total cpu time spent up to now is 40.2 secs Computing kpt #: 316 total cpu time spent up to now is 40.3 secs Computing kpt #: 317 total cpu time spent up to now is 40.4 secs Computing kpt #: 318 total cpu time spent up to now is 40.5 secs Computing kpt #: 319 total cpu time spent up to now is 40.6 secs Computing kpt #: 320 total cpu time spent up to now is 40.7 secs Computing kpt #: 321 total cpu time spent up to now is 40.8 secs Computing kpt #: 322 total cpu time spent up to now is 40.9 secs Computing kpt #: 323 total cpu time spent up to now is 41.0 secs Computing kpt #: 324 total cpu time spent up to now is 41.1 secs Computing kpt #: 325 total cpu time spent up to now is 41.2 secs Computing kpt #: 326 total cpu time spent up to now is 41.3 secs Computing kpt #: 327 total cpu time spent up to now is 41.4 secs Computing kpt #: 328 total cpu time spent up to now is 41.5 secs Computing kpt #: 329 total cpu time spent up to now is 41.5 secs Computing kpt #: 330 total cpu time spent up to now is 41.6 secs Computing kpt #: 331 total cpu time spent up to now is 41.7 secs Computing kpt #: 332 total cpu time spent up to now is 41.8 secs Computing kpt #: 333 total cpu time spent up to now is 41.9 secs Computing kpt #: 334 total cpu time spent up to now is 42.0 secs Computing kpt #: 335 total cpu time spent up to now is 42.1 secs Computing kpt #: 336 total cpu time spent up to now is 42.2 secs Computing kpt #: 337 total cpu time spent up to now is 42.2 secs Computing kpt #: 338 total cpu time spent up to now is 42.3 secs Computing kpt #: 339 total cpu time spent up to now is 42.4 secs Computing kpt #: 340 total cpu time spent up to now is 42.5 secs Computing kpt #: 341 total cpu time spent up to now is 42.6 secs Computing kpt #: 342 total cpu time spent up to now is 42.7 secs Computing kpt #: 343 total cpu time spent up to now is 42.8 secs Computing kpt #: 344 total cpu time spent up to now is 42.9 secs Computing kpt #: 345 total cpu time spent up to now is 43.0 secs Computing kpt #: 346 total cpu time spent up to now is 43.1 secs Computing kpt #: 347 total cpu time spent up to now is 43.2 secs Computing kpt #: 348 total cpu time spent up to now is 43.2 secs Computing kpt #: 349 total cpu time spent up to now is 43.3 secs Computing kpt #: 350 total cpu time spent up to now is 43.5 secs Computing kpt #: 351 total cpu time spent up to now is 43.6 secs Computing kpt #: 352 total cpu time spent up to now is 43.7 secs Computing kpt #: 353 total cpu time spent up to now is 43.8 secs Computing kpt #: 354 total cpu time spent up to now is 43.9 secs Computing kpt #: 355 total cpu time spent up to now is 44.0 secs Computing kpt #: 356 total cpu time spent up to now is 44.1 secs Computing kpt #: 357 total cpu time spent up to now is 44.2 secs Computing kpt #: 358 total cpu time spent up to now is 44.3 secs Computing kpt #: 359 total cpu time spent up to now is 44.4 secs Computing kpt #: 360 total cpu time spent up to now is 44.5 secs Computing kpt #: 361 total cpu time spent up to now is 44.6 secs Computing kpt #: 362 total cpu time spent up to now is 44.7 secs Computing kpt #: 363 total cpu time spent up to now is 44.8 secs Computing kpt #: 364 total cpu time spent up to now is 44.9 secs Computing kpt #: 365 total cpu time spent up to now is 45.0 secs Computing kpt #: 366 total cpu time spent up to now is 45.1 secs Computing kpt #: 367 total cpu time spent up to now is 45.2 secs Computing kpt #: 368 total cpu time spent up to now is 45.4 secs Computing kpt #: 369 total cpu time spent up to now is 45.5 secs Computing kpt #: 370 total cpu time spent up to now is 45.6 secs Computing kpt #: 371 total cpu time spent up to now is 45.7 secs Computing kpt #: 372 total cpu time spent up to now is 45.8 secs Computing kpt #: 373 total cpu time spent up to now is 45.9 secs Computing kpt #: 374 total cpu time spent up to now is 46.0 secs Computing kpt #: 375 total cpu time spent up to now is 46.1 secs Computing kpt #: 376 total cpu time spent up to now is 46.3 secs Computing kpt #: 377 total cpu time spent up to now is 46.4 secs Computing kpt #: 378 total cpu time spent up to now is 46.5 secs Computing kpt #: 379 total cpu time spent up to now is 46.6 secs Computing kpt #: 380 total cpu time spent up to now is 46.7 secs Computing kpt #: 381 total cpu time spent up to now is 46.8 secs Computing kpt #: 382 total cpu time spent up to now is 47.0 secs Computing kpt #: 383 total cpu time spent up to now is 47.1 secs Computing kpt #: 384 total cpu time spent up to now is 47.2 secs Computing kpt #: 385 total cpu time spent up to now is 47.3 secs Computing kpt #: 386 total cpu time spent up to now is 47.4 secs Computing kpt #: 387 total cpu time spent up to now is 47.6 secs Computing kpt #: 388 total cpu time spent up to now is 47.7 secs Computing kpt #: 389 total cpu time spent up to now is 47.8 secs Computing kpt #: 390 total cpu time spent up to now is 47.9 secs Computing kpt #: 391 total cpu time spent up to now is 48.0 secs Computing kpt #: 392 total cpu time spent up to now is 48.2 secs Computing kpt #: 393 total cpu time spent up to now is 48.3 secs Computing kpt #: 394 total cpu time spent up to now is 48.4 secs Computing kpt #: 395 total cpu time spent up to now is 48.5 secs Computing kpt #: 396 total cpu time spent up to now is 48.7 secs Computing kpt #: 397 total cpu time spent up to now is 48.8 secs Computing kpt #: 398 total cpu time spent up to now is 48.9 secs Computing kpt #: 399 total cpu time spent up to now is 49.1 secs Computing kpt #: 400 total cpu time spent up to now is 49.2 secs Computing kpt #: 401 total cpu time spent up to now is 49.3 secs Computing kpt #: 402 total cpu time spent up to now is 49.5 secs Computing kpt #: 403 total cpu time spent up to now is 49.7 secs Computing kpt #: 404 total cpu time spent up to now is 49.9 secs Computing kpt #: 405 total cpu time spent up to now is 50.1 secs Computing kpt #: 406 total cpu time spent up to now is 50.4 secs Computing kpt #: 407 total cpu time spent up to now is 50.5 secs Computing kpt #: 408 total cpu time spent up to now is 50.7 secs Computing kpt #: 409 total cpu time spent up to now is 50.9 secs Computing kpt #: 410 total cpu time spent up to now is 51.1 secs Computing kpt #: 411 total cpu time spent up to now is 51.2 secs Computing kpt #: 412 total cpu time spent up to now is 51.4 secs Computing kpt #: 413 total cpu time spent up to now is 51.5 secs Computing kpt #: 414 total cpu time spent up to now is 51.7 secs Computing kpt #: 415 total cpu time spent up to now is 51.8 secs Computing kpt #: 416 total cpu time spent up to now is 51.9 secs Computing kpt #: 417 total cpu time spent up to now is 52.1 secs Computing kpt #: 418 total cpu time spent up to now is 52.2 secs Computing kpt #: 419 total cpu time spent up to now is 52.3 secs Computing kpt #: 420 total cpu time spent up to now is 52.4 secs Computing kpt #: 421 total cpu time spent up to now is 52.5 secs Computing kpt #: 422 total cpu time spent up to now is 52.6 secs Computing kpt #: 423 total cpu time spent up to now is 52.7 secs Computing kpt #: 424 total cpu time spent up to now is 52.8 secs Computing kpt #: 425 total cpu time spent up to now is 52.9 secs Computing kpt #: 426 total cpu time spent up to now is 53.0 secs Computing kpt #: 427 total cpu time spent up to now is 53.1 secs Computing kpt #: 428 total cpu time spent up to now is 53.2 secs Computing kpt #: 429 total cpu time spent up to now is 53.4 secs Computing kpt #: 430 total cpu time spent up to now is 53.5 secs Computing kpt #: 431 total cpu time spent up to now is 53.6 secs Computing kpt #: 432 total cpu time spent up to now is 53.7 secs Computing kpt #: 433 total cpu time spent up to now is 53.8 secs Computing kpt #: 434 total cpu time spent up to now is 53.9 secs Computing kpt #: 435 total cpu time spent up to now is 53.9 secs Computing kpt #: 436 total cpu time spent up to now is 54.0 secs Computing kpt #: 437 total cpu time spent up to now is 54.1 secs Computing kpt #: 438 total cpu time spent up to now is 54.2 secs Computing kpt #: 439 total cpu time spent up to now is 54.3 secs Computing kpt #: 440 total cpu time spent up to now is 54.4 secs Computing kpt #: 441 total cpu time spent up to now is 54.5 secs Computing kpt #: 442 total cpu time spent up to now is 54.6 secs Computing kpt #: 443 total cpu time spent up to now is 54.7 secs Computing kpt #: 444 total cpu time spent up to now is 54.8 secs Computing kpt #: 445 total cpu time spent up to now is 54.9 secs Computing kpt #: 446 total cpu time spent up to now is 55.0 secs Computing kpt #: 447 total cpu time spent up to now is 55.1 secs Computing kpt #: 448 total cpu time spent up to now is 55.1 secs Computing kpt #: 449 total cpu time spent up to now is 55.3 secs Computing kpt #: 450 total cpu time spent up to now is 55.4 secs Computing kpt #: 451 total cpu time spent up to now is 55.5 secs Computing kpt #: 452 total cpu time spent up to now is 55.6 secs Computing kpt #: 453 total cpu time spent up to now is 55.7 secs Computing kpt #: 454 total cpu time spent up to now is 55.8 secs Computing kpt #: 455 total cpu time spent up to now is 55.9 secs Computing kpt #: 456 total cpu time spent up to now is 56.0 secs Computing kpt #: 457 total cpu time spent up to now is 56.1 secs Computing kpt #: 458 total cpu time spent up to now is 56.2 secs Computing kpt #: 459 total cpu time spent up to now is 56.3 secs Computing kpt #: 460 total cpu time spent up to now is 56.4 secs Computing kpt #: 461 total cpu time spent up to now is 56.5 secs Computing kpt #: 462 total cpu time spent up to now is 56.6 secs Computing kpt #: 463 total cpu time spent up to now is 56.7 secs Computing kpt #: 464 total cpu time spent up to now is 56.8 secs Computing kpt #: 465 total cpu time spent up to now is 56.9 secs Computing kpt #: 466 total cpu time spent up to now is 57.0 secs Computing kpt #: 467 total cpu time spent up to now is 57.1 secs Computing kpt #: 468 total cpu time spent up to now is 57.2 secs Computing kpt #: 469 total cpu time spent up to now is 57.3 secs Computing kpt #: 470 total cpu time spent up to now is 57.4 secs Computing kpt #: 471 total cpu time spent up to now is 57.5 secs Computing kpt #: 472 total cpu time spent up to now is 57.6 secs Computing kpt #: 473 total cpu time spent up to now is 57.7 secs Computing kpt #: 474 total cpu time spent up to now is 57.8 secs Computing kpt #: 475 total cpu time spent up to now is 57.9 secs Computing kpt #: 476 total cpu time spent up to now is 58.0 secs Computing kpt #: 477 total cpu time spent up to now is 58.1 secs Computing kpt #: 478 total cpu time spent up to now is 58.2 secs Computing kpt #: 479 total cpu time spent up to now is 58.3 secs Computing kpt #: 480 total cpu time spent up to now is 58.4 secs Computing kpt #: 481 total cpu time spent up to now is 58.5 secs ethr = 4.17E-08, avg # of iterations = 12.9 total cpu time spent up to now is 58.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): 0.7251 0.7251 2.5909 2.5909 3.2830 3.2830 3.4011 3.4011 3.4410 3.4410 3.7079 3.7079 3.7603 3.7603 3.9295 3.9295 4.0616 4.0616 4.1021 4.1021 4.2643 4.2643 7.5127 7.5127 8.1741 8.1741 24.8065 24.8065 28.3624 28.3624 28.5097 28.5097 k = 0.0072 0.0042-0.0000 ( 1063 PWs) bands (ev): 0.7267 0.7267 2.5916 2.5916 3.2832 3.2832 3.4012 3.4012 3.4411 3.4411 3.7080 3.7080 3.7604 3.7604 3.9294 3.9294 4.0610 4.0610 4.1020 4.1020 4.2638 4.2638 7.5153 7.5153 8.1748 8.1748 24.8082 24.8082 28.3587 28.3587 28.4785 28.4785 k = 0.0145 0.0084-0.0000 ( 1065 PWs) bands (ev): 0.7314 0.7314 2.5937 2.5937 3.2835 3.2835 3.4014 3.4014 3.4413 3.4413 3.7083 3.7083 3.7607 3.7607 3.9289 3.9289 4.0595 4.0595 4.1014 4.1014 4.2622 4.2622 7.5231 7.5231 8.1772 8.1772 24.8133 24.8133 28.3310 28.3310 28.3992 28.3992 k = 0.0217 0.0126-0.0000 ( 1067 PWs) bands (ev): 0.7392 0.7392 2.5972 2.5972 3.2841 3.2841 3.4019 3.4019 3.4417 3.4417 3.7087 3.7087 3.7611 3.7611 3.9280 3.9280 4.0569 4.0569 4.1005 4.1005 4.2597 4.2597 7.5361 7.5361 8.1812 8.1812 24.8218 24.8218 28.1877 28.1877 28.3575 28.3575 k = 0.0290 0.0167-0.0000 ( 1067 PWs) bands (ev): 0.7502 0.7502 2.6020 2.6020 3.2851 3.2851 3.4026 3.4026 3.4421 3.4421 3.7094 3.7094 3.7618 3.7618 3.9269 3.9269 4.0533 4.0533 4.0992 4.0992 4.2564 4.2564 7.5541 7.5541 8.1867 8.1867 24.8337 24.8337 27.9603 27.9603 28.2910 28.2910 k = 0.0362 0.0209-0.0000 ( 1071 PWs) bands (ev): 0.7643 0.7643 2.6083 2.6083 3.2862 3.2862 3.4034 3.4034 3.4426 3.4426 3.7103 3.7103 3.7625 3.7625 3.9254 3.9254 4.0486 4.0486 4.0973 4.0973 4.2524 4.2524 7.5772 7.5772 8.1939 8.1939 24.8489 24.8489 27.6884 27.6884 28.1509 28.1509 k = 0.0435 0.0251-0.0000 ( 1063 PWs) bands (ev): 0.7815 0.7815 2.6159 2.6159 3.2877 3.2877 3.4044 3.4044 3.4433 3.4433 3.7115 3.7115 3.7637 3.7637 3.9237 3.9237 4.0429 4.0429 4.0950 4.0950 4.2479 4.2479 7.6053 7.6053 8.2026 8.2026 24.8675 24.8675 27.3898 27.3898 27.9923 27.9923 k = 0.0507 0.0293-0.0000 ( 1067 PWs) bands (ev): 0.8019 0.8019 2.6247 2.6247 3.2893 3.2893 3.4055 3.4055 3.4440 3.4440 3.7130 3.7130 3.7649 3.7649 3.9215 3.9215 4.0359 4.0359 4.0921 4.0921 4.2431 4.2431 7.6381 7.6381 8.2131 8.2131 24.8893 24.8893 27.0740 27.0740 27.8266 27.8266 k = 0.0580 0.0335-0.0000 ( 1067 PWs) bands (ev): 0.8253 0.8253 2.6348 2.6348 3.2912 3.2912 3.4067 3.4067 3.4448 3.4448 3.7148 3.7148 3.7666 3.7666 3.9191 3.9191 4.0278 4.0278 4.0887 4.0887 4.2383 4.2383 7.6757 7.6757 8.2252 8.2252 24.9143 24.9143 26.7474 26.7474 27.6569 27.6569 k = 0.0652 0.0377-0.0000 ( 1063 PWs) bands (ev): 0.8518 0.8518 2.6462 2.6462 3.2932 3.2932 3.4080 3.4080 3.4456 3.4456 3.7170 3.7170 3.7686 3.7686 3.9162 3.9162 4.0185 4.0185 4.0847 4.0847 4.2335 4.2335 7.7179 7.7179 8.2390 8.2390 24.9425 24.9425 26.4139 26.4139 27.4850 27.4850 k = 0.0725 0.0418-0.0000 ( 1061 PWs) bands (ev): 0.8814 0.8814 2.6586 2.6586 3.2954 3.2954 3.4093 3.4093 3.4466 3.4466 3.7196 3.7196 3.7711 3.7711 3.9129 3.9129 4.0080 4.0080 4.0803 4.0803 4.2290 4.2290 7.7645 7.7645 8.2545 8.2545 24.9737 24.9737 26.0759 26.0759 27.3117 27.3117 k = 0.0797 0.0460-0.0000 ( 1057 PWs) bands (ev): 0.9140 0.9140 2.6722 2.6722 3.2977 3.2977 3.4106 3.4106 3.4476 3.4476 3.7226 3.7226 3.7739 3.7739 3.9092 3.9092 3.9963 3.9963 4.0754 4.0754 4.2249 4.2249 7.8155 7.8155 8.2718 8.2718 25.0076 25.0076 25.7354 25.7354 27.1380 27.1380 k = 0.0870 0.0502-0.0000 ( 1057 PWs) bands (ev): 0.9497 0.9497 2.6867 2.6867 3.3000 3.3000 3.4119 3.4119 3.4485 3.4485 3.7261 3.7261 3.7772 3.7772 3.9048 3.9048 3.9836 3.9836 4.0702 4.0702 4.2213 4.2213 7.8707 7.8707 8.2909 8.2909 25.0431 25.0431 25.3944 25.3944 26.9644 26.9644 k = 0.0942 0.0544-0.0000 ( 1053 PWs) bands (ev): 0.9883 0.9883 2.7022 2.7022 3.3024 3.3024 3.4131 3.4131 3.4495 3.4495 3.7302 3.7302 3.7810 3.7810 3.8998 3.8998 3.9702 3.9702 4.0648 4.0648 4.2181 4.2181 7.9299 7.9299 8.3119 8.3119 25.0255 25.0255 25.1083 25.1083 26.7916 26.7916 k = 0.1014 0.0586-0.0000 ( 1055 PWs) bands (ev): 1.0299 1.0299 2.7185 2.7185 3.3046 3.3046 3.4143 3.4143 3.4505 3.4505 3.7348 3.7348 3.7852 3.7852 3.8937 3.8937 3.9564 3.9564 4.0591 4.0591 4.2153 4.2153 7.9930 7.9930 8.3348 8.3348 24.6994 24.6994 25.1330 25.1330 26.6198 26.6198 k = 0.1087 0.0628-0.0000 ( 1051 PWs) bands (ev): 1.0745 1.0745 2.7355 2.7355 3.3069 3.3069 3.4153 3.4153 3.4517 3.4517 3.7401 3.7401 3.7899 3.7899 3.8861 3.8861 3.9430 3.9430 4.0534 4.0534 4.2130 4.2130 8.0600 8.0600 8.3596 8.3596 24.3569 24.3569 25.1769 25.1769 26.4492 26.4492 k = 0.1159 0.0669-0.0000 ( 1055 PWs) bands (ev): 1.1219 1.1219 2.7532 2.7532 3.3089 3.3089 3.4160 3.4160 3.4531 3.4531 3.7459 3.7459 3.7952 3.7952 3.8766 3.8766 3.9304 3.9304 4.0475 4.0475 4.2111 4.2111 8.1305 8.1305 8.3865 8.3865 24.0139 24.0139 25.2238 25.2238 26.2802 26.2802 k = 0.1232 0.0711-0.0000 ( 1051 PWs) bands (ev): 1.1721 1.1721 2.7715 2.7715 3.3109 3.3109 3.4166 3.4166 3.4547 3.4547 3.7525 3.7525 3.8010 3.8010 3.8648 3.8648 3.9195 3.9195 4.0416 4.0416 4.2095 4.2095 8.2047 8.2047 8.4154 8.4154 23.6716 23.6716 25.2727 25.2727 26.1131 26.1131 k = 0.1304 0.0753-0.0000 ( 1051 PWs) bands (ev): 1.2252 1.2252 2.7901 2.7901 3.3127 3.3127 3.4168 3.4168 3.4567 3.4567 3.7595 3.7595 3.8073 3.8073 3.8508 3.8508 3.9105 3.9105 4.0358 4.0358 4.2081 4.2081 8.2822 8.2822 8.4464 8.4464 23.3302 23.3302 25.3227 25.3227 25.9482 25.9482 k = 0.1377 0.0795-0.0000 ( 1051 PWs) bands (ev): 1.2810 1.2810 2.8089 2.8089 3.3143 3.3143 3.4166 3.4166 3.4590 3.4590 3.7671 3.7671 3.8139 3.8139 3.8351 3.8351 3.9029 3.9029 4.0300 4.0300 4.2071 4.2071 8.3631 8.3631 8.4796 8.4796 22.9901 22.9901 25.3726 25.3726 25.7863 25.7863 k = 0.1449 0.0837-0.0000 ( 1051 PWs) bands (ev): 1.3394 1.3394 2.8278 2.8278 3.3158 3.3158 3.4160 3.4160 3.4617 3.4617 3.7752 3.7752 3.8162 3.8162 3.8235 3.8235 3.8964 3.8964 4.0244 4.0244 4.2063 4.2063 8.4471 8.4471 8.5152 8.5152 22.6514 22.6514 25.4184 25.4184 25.6309 25.6309 k = 0.1522 0.0879-0.0000 ( 1047 PWs) bands (ev): 1.4004 1.4004 2.8465 2.8465 3.3172 3.3172 3.4151 3.4151 3.4648 3.4648 3.7826 3.7826 3.8018 3.8018 3.8298 3.8298 3.8908 3.8908 4.0190 4.0190 4.2058 4.2058 8.5338 8.5338 8.5535 8.5535 22.3142 22.3142 25.4181 25.4181 25.5228 25.5228 k = 0.1594 0.0920-0.0000 ( 1047 PWs) bands (ev): 1.4638 1.4638 2.8650 2.8650 3.3186 3.3186 3.4137 3.4137 3.4682 3.4682 3.7789 3.7789 3.7976 3.7976 3.8376 3.8376 3.8860 3.8860 4.0139 4.0139 4.2053 4.2053 8.5924 8.5924 8.6252 8.6252 21.9788 21.9788 25.2897 25.2897 25.5426 25.5426 k = 0.1667 0.0962-0.0000 ( 1047 PWs) bands (ev): 1.5296 1.5296 2.8830 2.8830 3.3201 3.3201 3.4121 3.4121 3.4716 3.4716 3.7638 3.7638 3.8059 3.8059 3.8455 3.8455 3.8819 3.8819 4.0093 4.0093 4.2050 4.2050 8.6353 8.6353 8.7182 8.7182 21.6451 21.6451 25.1390 25.1390 25.5823 25.5823 k = 0.1739 0.1004-0.0000 ( 1047 PWs) bands (ev): 1.5975 1.5975 2.9002 2.9002 3.3218 3.3218 3.4103 3.4103 3.4750 3.4750 3.7484 3.7484 3.8159 3.8159 3.8526 3.8526 3.8792 3.8792 4.0052 4.0052 4.2049 4.2049 8.6805 8.6805 8.8142 8.8142 21.3134 21.3134 24.9876 24.9876 25.6169 25.6169 k = 0.1812 0.1046-0.0000 ( 1047 PWs) bands (ev): 1.6675 1.6675 2.9164 2.9164 3.3237 3.3237 3.4083 3.4083 3.4781 3.4781 3.7343 3.7343 3.8263 3.8263 3.8575 3.8575 3.8793 3.8793 4.0019 4.0019 4.2048 4.2048 8.7282 8.7282 8.9131 8.9131 20.9836 20.9836 24.8378 24.8378 25.6392 25.6392 k = 0.1884 0.1088-0.0000 ( 1049 PWs) bands (ev): 1.7393 1.7393 2.9315 2.9315 3.3261 3.3261 3.4061 3.4061 3.4806 3.4806 3.7219 3.7219 3.8367 3.8367 3.8588 3.8588 3.8837 3.8837 3.9996 3.9996 4.2049 4.2049 8.7786 8.7786 9.0148 9.0148 20.6559 20.6559 24.6900 24.6900 25.6401 25.6401 k = 0.1957 0.1130-0.0000 ( 1049 PWs) bands (ev): 1.8127 1.8127 2.9452 2.9452 3.3289 3.3289 3.4038 3.4038 3.4825 3.4825 3.7120 3.7120 3.8467 3.8467 3.8578 3.8578 3.8911 3.8911 3.9986 3.9986 4.2051 4.2051 8.8317 8.8317 9.1191 9.1191 20.3303 20.3303 24.5445 24.5445 25.6036 25.6036 k = 0.2029 0.1171-0.0000 ( 1049 PWs) bands (ev): 1.8874 1.8874 2.9573 2.9573 3.3321 3.3321 3.4014 3.4014 3.4836 3.4836 3.7050 3.7050 3.8535 3.8535 3.8587 3.8587 3.9000 3.9000 3.9992 3.9992 4.2054 4.2054 8.8876 8.8876 9.2261 9.2261 20.0069 20.0069 24.4013 24.4013 25.4754 25.4754 k = 0.2101 0.1213-0.0000 ( 1045 PWs) bands (ev): 1.9630 1.9630 2.9677 2.9677 3.3358 3.3358 3.3988 3.3988 3.4842 3.4842 3.7011 3.7011 3.8531 3.8531 3.8661 3.8661 3.9098 3.9098 4.0018 4.0018 4.2059 4.2059 8.9464 8.9464 9.3356 9.3356 19.6858 19.6858 24.2604 24.2604 25.2180 25.2180 k = 0.2174 0.1255-0.0000 ( 1045 PWs) bands (ev): 2.0391 2.0391 2.9762 2.9762 3.3397 3.3397 3.3958 3.3958 3.4848 3.4848 3.7000 3.7000 3.8521 3.8521 3.8731 3.8731 3.9204 3.9204 4.0064 4.0064 4.2066 4.2066 9.0080 9.0080 9.4477 9.4477 19.3669 19.3669 24.1218 24.1218 24.9264 24.9264 k = 0.2246 0.1297-0.0000 ( 1045 PWs) bands (ev): 2.1153 2.1153 2.9829 2.9829 3.3433 3.3433 3.3925 3.3925 3.4862 3.4862 3.7017 3.7017 3.8519 3.8519 3.8787 3.8787 3.9320 3.9320 4.0132 4.0132 4.2074 4.2074 9.0727 9.0727 9.5623 9.5623 19.0503 19.0503 23.9851 23.9851 24.6292 24.6292 k = 0.2319 0.1339-0.0000 ( 1045 PWs) bands (ev): 2.1909 2.1909 2.9878 2.9878 3.3458 3.3458 3.3891 3.3891 3.4894 3.4894 3.7055 3.7055 3.8527 3.8527 3.8835 3.8835 3.9445 3.9445 4.0221 4.0221 4.2084 4.2084 9.1404 9.1404 9.6792 9.6792 18.7362 18.7362 23.8497 23.8497 24.3319 24.3319 k = 0.2391 0.1381-0.0000 ( 1047 PWs) bands (ev): 2.2652 2.2652 2.9909 2.9909 3.3460 3.3460 3.3866 3.3866 3.4954 3.4954 3.7107 3.7107 3.8543 3.8543 3.8887 3.8887 3.9577 3.9577 4.0328 4.0328 4.2096 4.2096 9.2112 9.2112 9.7986 9.7986 18.4246 18.4246 23.7132 23.7132 24.0383 24.0383 k = 0.2464 0.1422-0.0000 ( 1047 PWs) bands (ev): 2.3375 2.3375 2.9924 2.9924 3.3426 3.3426 3.3862 3.3862 3.5047 3.5047 3.7165 3.7165 3.8561 3.8561 3.8961 3.8961 3.9716 3.9716 4.0452 4.0452 4.2112 4.2112 9.2851 9.2851 9.9204 9.9204 18.1154 18.1154 23.5656 23.5656 23.7591 23.7591 k = 0.2536 0.1464-0.0000 ( 1047 PWs) bands (ev): 2.4068 2.4068 2.9924 2.9924 3.3353 3.3353 3.3882 3.3882 3.5176 3.5176 3.7222 3.7222 3.8571 3.8571 3.9077 3.9077 3.9861 3.9861 4.0591 4.0591 4.2131 4.2131 9.3623 9.3623 10.0445 10.0445 17.8088 17.8088 23.3642 23.3642 23.5375 23.5375 k = 0.2609 0.1506-0.0000 ( 1045 PWs) bands (ev): 2.4724 2.4724 2.9911 2.9911 3.3251 3.3251 3.3919 3.3919 3.5339 3.5339 3.7272 3.7272 3.8569 3.8569 3.9250 3.9250 4.0010 4.0010 4.0746 4.0746 4.2155 4.2155 9.4426 9.4426 10.1708 10.1708 17.5048 17.5048 23.0954 23.0954 23.3874 23.3874 k = 0.2681 0.1548-0.0000 ( 1045 PWs) bands (ev): 2.5333 2.5333 2.9886 2.9886 3.3130 3.3130 3.3967 3.3967 3.5532 3.5532 3.7313 3.7313 3.8556 3.8556 3.9479 3.9479 4.0167 4.0167 4.0922 4.0922 4.2186 4.2186 9.5261 9.5261 10.2995 10.2995 17.2035 17.2035 22.8079 22.8079 23.2598 23.2598 k = 0.2754 0.1590-0.0000 ( 1045 PWs) bands (ev): 2.5887 2.5887 2.9852 2.9852 3.2998 3.2998 3.4021 3.4021 3.5749 3.5749 3.7346 3.7346 3.8535 3.8535 3.9752 3.9752 4.0335 4.0335 4.1128 4.1128 4.2228 4.2228 9.6128 9.6128 10.4303 10.4303 16.9050 16.9050 22.5171 22.5171 23.1389 23.1389 k = 0.2826 0.1632-0.0000 ( 1041 PWs) bands (ev): 2.6381 2.6381 2.9810 2.9810 3.2860 3.2860 3.4078 3.4078 3.5982 3.5982 3.7375 3.7375 3.8510 3.8510 4.0035 4.0035 4.0524 4.0524 4.1381 4.1381 4.2289 4.2289 9.7027 9.7027 10.5634 10.5634 16.6093 16.6093 22.2262 22.2262 23.0163 23.0163 k = 0.2899 0.1673-0.0000 ( 1037 PWs) bands (ev): 2.6812 2.6812 2.9762 2.9762 3.2718 3.2718 3.4136 3.4136 3.6220 3.6220 3.7405 3.7405 3.8482 3.8482 4.0283 4.0283 4.0742 4.0742 4.1693 4.1693 4.2399 4.2399 9.7958 9.7958 10.6986 10.6986 16.3166 16.3166 21.9365 21.9365 22.8419 22.8419 k = 0.2971 0.1715-0.0000 ( 1035 PWs) bands (ev): 2.7179 2.7179 2.9710 2.9710 3.2576 3.2576 3.4193 3.4193 3.6448 3.6448 3.7442 3.7442 3.8453 3.8453 4.0477 4.0477 4.0969 4.0969 4.1998 4.1998 4.2664 4.2664 9.8921 9.8921 10.8359 10.8359 16.0269 16.0269 21.6484 21.6484 22.5927 22.5927 k = 0.3043 0.1757-0.0000 ( 1035 PWs) bands (ev): 2.7484 2.7484 2.9653 2.9653 3.2433 3.2433 3.4248 3.4248 3.6651 3.6651 3.7499 3.7499 3.8426 3.8426 4.0632 4.0632 4.1179 4.1179 4.2181 4.2181 4.3210 4.3210 9.9913 9.9913 10.9753 10.9753 15.7404 15.7404 21.3622 21.3622 22.3333 22.3333 k = 0.3116 0.1799-0.0000 ( 1037 PWs) bands (ev): 2.7733 2.7733 2.9595 2.9595 3.2293 3.2293 3.4298 3.4298 3.6814 3.6814 3.7586 3.7586 3.8399 3.8399 4.0761 4.0761 4.1368 4.1368 4.2288 4.2288 4.3975 4.3975 10.0934 10.0934 11.1168 11.1168 15.4573 15.4573 21.0782 21.0782 22.0736 22.0736 k = 0.3188 0.1841-0.0000 ( 1035 PWs) bands (ev): 2.7931 2.7931 2.9536 2.9536 3.2155 3.2155 3.4344 3.4344 3.6928 3.6928 3.7711 3.7711 3.8375 3.8375 4.0874 4.0874 4.1540 4.1540 4.2376 4.2376 4.4885 4.4885 10.1983 10.1983 11.2603 11.2603 15.1777 15.1777 20.7964 20.7964 21.8150 21.8150 k = 0.3261 0.1883-0.0000 ( 1027 PWs) bands (ev): 2.8085 2.8085 2.9477 2.9477 3.2021 3.2021 3.4385 3.4385 3.6999 3.6999 3.7867 3.7867 3.8355 3.8355 4.0975 4.0975 4.1703 4.1703 4.2462 4.2462 4.5909 4.5909 10.3056 10.3056 11.4057 11.4057 14.9021 14.9021 20.5171 20.5171 21.5582 21.5582 k = 0.3333 0.1925-0.0000 ( 1027 PWs) bands (ev): 2.8199 2.8199 2.9419 2.9419 3.1890 3.1890 3.4421 3.4421 3.7040 3.7040 3.8036 3.8036 3.8340 3.8340 4.1062 4.1062 4.1856 4.1856 4.2550 4.2550 4.7026 4.7026 10.4150 10.4150 11.5531 11.5531 14.6306 14.6306 20.2402 20.2402 21.3035 21.3035 k = 0.3406 0.1966-0.0000 ( 1031 PWs) bands (ev): 2.8280 2.8280 2.9363 2.9363 3.1763 3.1763 3.4451 3.4451 3.7062 3.7062 3.8199 3.8199 3.8341 3.8341 4.1138 4.1138 4.2002 4.2002 4.2642 4.2642 4.8225 4.8225 10.5261 10.5261 11.7023 11.7023 14.3640 14.3640 19.9659 19.9659 21.0511 21.0511 k = 0.3478 0.2008-0.0000 ( 1031 PWs) bands (ev): 2.8335 2.8335 2.9309 2.9309 3.1641 3.1641 3.4475 3.4475 3.7075 3.7075 3.8277 3.8277 3.8428 3.8428 4.1204 4.1204 4.2143 4.2143 4.2738 4.2738 4.9497 4.9497 10.6380 10.6380 11.8534 11.8534 14.1028 14.1028 19.6944 19.6944 20.8012 20.8012 k = 0.3551 0.2050-0.0000 ( 1030 PWs) bands (ev): 2.8366 2.8366 2.9259 2.9259 3.1523 3.1523 3.4493 3.4493 3.7082 3.7082 3.8283 3.8283 3.8585 3.8585 4.1263 4.1263 4.2279 4.2279 4.2837 4.2837 5.0834 5.0834 10.7497 10.7497 12.0061 12.0061 13.8482 13.8482 19.4257 19.4257 20.5539 20.5539 k = 0.3623 0.2092-0.0000 ( 1030 PWs) bands (ev): 2.8379 2.8379 2.9211 2.9211 3.1411 3.1411 3.4507 3.4507 3.7084 3.7084 3.8283 3.8283 3.8744 3.8744 4.1314 4.1314 4.2409 4.2409 4.2938 4.2938 5.2230 5.2230 10.8597 10.8597 12.1606 12.1606 13.6017 13.6017 19.1600 19.1600 20.3093 20.3093 k = 0.3696 0.2134-0.0000 ( 1030 PWs) bands (ev): 2.8376 2.8376 2.9166 2.9166 3.1304 3.1304 3.4516 3.4516 3.7084 3.7084 3.8284 3.8284 3.8897 3.8897 4.1359 4.1359 4.2534 4.2534 4.3040 4.3040 5.3680 5.3680 10.9654 10.9654 12.3165 12.3165 13.3657 13.3657 18.8974 18.8974 20.0677 20.0677 k = 0.3768 0.2176-0.0000 ( 1034 PWs) bands (ev): 2.8362 2.8362 2.9125 2.9125 3.1202 3.1202 3.4520 3.4520 3.7082 3.7082 3.8288 3.8288 3.9041 3.9041 4.1399 4.1399 4.2655 4.2655 4.3142 4.3142 5.5180 5.5180 11.0629 11.0629 12.4739 12.4739 13.1443 13.1443 18.6379 18.6379 19.8292 19.8292 k = 0.3841 0.2217-0.0000 ( 1036 PWs) bands (ev): 2.8339 2.8339 2.9084 2.9084 3.1105 3.1105 3.4521 3.4521 3.7077 3.7077 3.8296 3.8296 3.9176 3.9176 4.1435 4.1435 4.2770 4.2770 4.3243 4.3243 5.6726 5.6726 11.1457 11.1457 12.6326 12.6326 12.9437 12.9437 18.3817 18.3817 19.5939 19.5939 k = 0.3913 0.2259-0.0000 ( 1036 PWs) bands (ev): 2.8309 2.8309 2.9047 2.9047 3.1015 3.1015 3.4519 3.4519 3.7072 3.7072 3.8306 3.8306 3.9301 3.9301 4.1468 4.1468 4.2880 4.2880 4.3341 4.3341 5.8315 5.8315 11.2041 11.2041 12.7738 12.7738 12.7924 12.7924 18.1291 18.1291 19.3621 19.3621 k = 0.3986 0.2301-0.0000 ( 1036 PWs) bands (ev): 2.8276 2.8276 2.9012 2.9012 3.0930 3.0930 3.4514 3.4514 3.7066 3.7066 3.8318 3.8318 3.9417 3.9417 4.1498 4.1498 4.2983 4.2983 4.3437 4.3437 5.9944 5.9944 11.2242 11.2242 12.6483 12.6483 12.9530 12.9530 17.8800 17.8800 19.1341 19.1341 k = 0.4058 0.2343-0.0000 ( 1036 PWs) bands (ev): 2.8241 2.8241 2.8978 2.8978 3.0851 3.0851 3.4507 3.4507 3.7059 3.7059 3.8332 3.8332 3.9523 3.9523 4.1525 4.1525 4.3082 4.3082 4.3529 4.3529 6.1612 6.1612 11.1928 11.1928 12.5802 12.5802 13.1141 13.1141 17.6349 17.6349 18.9101 18.9101 k = 0.4130 0.2385-0.0000 ( 1036 PWs) bands (ev): 2.8204 2.8204 2.8946 2.8946 3.0778 3.0778 3.4498 3.4498 3.7052 3.7052 3.8348 3.8348 3.9620 3.9620 4.1551 4.1551 4.3173 4.3173 4.3616 4.3616 6.3315 6.3315 11.1057 11.1057 12.5735 12.5735 13.2756 13.2756 17.3939 17.3939 18.6905 18.6905 k = 0.4203 0.2427-0.0000 ( 1036 PWs) bands (ev): 2.8168 2.8168 2.8916 2.8916 3.0710 3.0710 3.4489 3.4489 3.7044 3.7044 3.8365 3.8365 3.9707 3.9707 4.1575 4.1575 4.3259 4.3259 4.3698 4.3698 6.5052 6.5052 10.9717 10.9717 12.6193 12.6193 13.4367 13.4367 17.1574 17.1574 18.4757 18.4757 k = 0.4275 0.2468-0.0000 ( 1032 PWs) bands (ev): 2.8133 2.8133 2.8888 2.8888 3.0650 3.0650 3.4479 3.4479 3.7037 3.7037 3.8382 3.8382 3.9785 3.9785 4.1598 4.1598 4.3338 4.3338 4.3774 4.3774 6.6820 6.6820 10.8050 10.8050 12.7032 12.7032 13.5970 13.5970 16.9258 16.9258 18.2666 18.2666 k = 0.4348 0.2510-0.0000 ( 1034 PWs) bands (ev): 2.8099 2.8099 2.8863 2.8863 3.0594 3.0594 3.4468 3.4468 3.7028 3.7028 3.8399 3.8399 3.9854 3.9854 4.1618 4.1618 4.3409 4.3409 4.3844 4.3844 6.8617 6.8617 10.6181 10.6181 12.8121 12.8121 13.7556 13.7556 16.6997 16.6997 18.0637 18.0637 k = 0.4420 0.2552-0.0000 ( 1030 PWs) bands (ev): 2.8069 2.8069 2.8840 2.8840 3.0544 3.0544 3.4458 3.4458 3.7021 3.7021 3.8415 3.8415 3.9915 3.9915 4.1638 4.1638 4.3474 4.3474 4.3909 4.3909 7.0439 7.0439 10.4196 10.4196 12.9371 12.9371 13.9114 13.9114 16.4799 16.4799 17.8682 17.8682 k = 0.4493 0.2594-0.0000 ( 1032 PWs) bands (ev): 2.8040 2.8040 2.8818 2.8818 3.0499 3.0499 3.4449 3.4449 3.7014 3.7014 3.8431 3.8431 3.9967 3.9967 4.1655 4.1655 4.3532 4.3532 4.3966 4.3966 7.2282 7.2282 10.2150 10.2150 13.0717 13.0717 14.0630 14.0630 16.2674 16.2674 17.6817 17.6817 k = 0.4565 0.2636-0.0000 ( 1032 PWs) bands (ev): 2.8015 2.8015 2.8800 2.8800 3.0460 3.0460 3.4440 3.4440 3.7008 3.7008 3.8446 3.8446 4.0012 4.0012 4.1670 4.1670 4.3582 4.3582 4.4015 4.4015 7.4141 7.4141 10.0081 10.0081 13.2113 13.2113 14.2084 14.2084 16.0640 16.0640 17.5060 17.5060 k = 0.4638 0.2678-0.0000 ( 1032 PWs) bands (ev): 2.7993 2.7993 2.8783 2.8783 3.0428 3.0428 3.4432 3.4432 3.7003 3.7003 3.8458 3.8458 4.0050 4.0050 4.1684 4.1684 4.3625 4.3625 4.4058 4.4058 7.6005 7.6005 9.8019 9.8019 13.3512 13.3512 14.3447 14.3447 15.8720 15.8720 17.3441 17.3441 k = 0.4710 0.2719-0.0000 ( 1032 PWs) bands (ev): 2.7974 2.7974 2.8770 2.8770 3.0402 3.0402 3.4425 3.4425 3.6998 3.6998 3.8469 3.8469 4.0080 4.0080 4.1695 4.1695 4.3660 4.3660 4.4093 4.4093 7.7857 7.7857 9.5994 9.5994 13.4865 13.4865 14.4684 14.4684 15.6952 15.6952 17.1995 17.1995 k = 0.4783 0.2761-0.0000 ( 1028 PWs) bands (ev): 2.7960 2.7960 2.8760 2.8760 3.0381 3.0381 3.4420 3.4420 3.6995 3.6995 3.8478 3.8478 4.0103 4.0103 4.1704 4.1704 4.3689 4.3689 4.4121 4.4121 7.9661 7.9661 9.4047 9.4047 13.6105 13.6105 14.5746 14.5746 15.5395 15.5395 17.0773 17.0773 k = 0.4855 0.2803-0.0000 ( 1028 PWs) bands (ev): 2.7950 2.7950 2.8752 2.8752 3.0366 3.0366 3.4416 3.4416 3.6992 3.6992 3.8484 3.8484 4.0119 4.0119 4.1711 4.1711 4.3709 4.3709 4.4141 4.4141 8.1339 8.1339 9.2266 9.2266 13.7139 13.7139 14.6574 14.6574 15.4137 15.4137 16.9831 16.9831 k = 0.4928 0.2845-0.0000 ( 1028 PWs) bands (ev): 2.7943 2.7943 2.8748 2.8748 3.0358 3.0358 3.4414 3.4414 3.6991 3.6991 3.8488 3.8488 4.0129 4.0129 4.1714 4.1714 4.3720 4.3720 4.4153 4.4153 8.2687 8.2687 9.0854 9.0854 13.7842 13.7842 14.7106 14.7106 15.3298 15.3298 16.9232 16.9232 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 2.7941 2.7941 2.8746 2.8746 3.0355 3.0355 3.4413 3.4413 3.6990 3.6990 3.8490 3.8490 4.0132 4.0132 4.1716 4.1716 4.3724 4.3724 4.4157 4.4157 8.3256 8.3256 9.0263 9.0263 13.8095 13.8095 14.7291 14.7291 15.3000 15.3000 16.9026 16.9026 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 2.7941 2.7941 2.8746 2.8746 3.0355 3.0355 3.4413 3.4413 3.6990 3.6990 3.8490 3.8490 4.0132 4.0132 4.1716 4.1716 4.3724 4.3724 4.4157 4.4157 8.3256 8.3256 9.0263 9.0263 13.8095 13.8095 14.7291 14.7291 15.3000 15.3000 16.9026 16.9026 k = 0.4958 0.2959-0.0000 ( 1028 PWs) bands (ev): 2.7947 2.7947 2.8752 2.8752 3.0356 3.0356 3.4413 3.4413 3.6989 3.6989 3.8489 3.8489 4.0129 4.0129 4.1713 4.1713 4.3718 4.3718 4.4152 4.4152 8.3279 8.3279 9.0277 9.0277 13.8112 13.8112 14.7308 14.7308 15.3011 15.3011 16.9037 16.9037 k = 0.4917 0.3031-0.0000 ( 1032 PWs) bands (ev): 2.7962 2.7962 2.8771 2.8771 3.0362 3.0362 3.4414 3.4414 3.6985 3.6985 3.8485 3.8485 4.0118 4.0118 4.1704 4.1704 4.3699 4.3699 4.4138 4.4138 8.3346 8.3346 9.0320 9.0320 13.8164 13.8164 14.7362 14.7362 15.3045 15.3045 16.9072 16.9072 k = 0.4875 0.3103-0.0000 ( 1040 PWs) bands (ev): 2.7989 2.7989 2.8803 2.8803 3.0370 3.0370 3.4414 3.4414 3.6978 3.6978 3.8479 3.8479 4.0101 4.0101 4.1689 4.1689 4.3666 4.3666 4.4115 4.4115 8.3458 8.3458 9.0392 9.0392 13.8250 13.8250 14.7451 14.7451 15.3102 15.3102 16.9130 16.9130 k = 0.4833 0.3175-0.0000 ( 1040 PWs) bands (ev): 2.8028 2.8028 2.8848 2.8848 3.0382 3.0382 3.4416 3.4416 3.6969 3.6969 3.8473 3.8473 4.0076 4.0076 4.1669 4.1669 4.3622 4.3622 4.4083 4.4083 8.3615 8.3615 9.0491 9.0491 13.8371 13.8371 14.7575 14.7575 15.3182 15.3182 16.9211 16.9211 k = 0.4792 0.3248-0.0000 ( 1036 PWs) bands (ev): 2.8078 2.8078 2.8905 2.8905 3.0399 3.0399 3.4418 3.4418 3.6958 3.6958 3.8464 3.8464 4.0044 4.0044 4.1645 4.1645 4.3567 4.3567 4.4042 4.4042 8.3816 8.3816 9.0620 9.0620 13.8526 13.8526 14.7735 14.7735 15.3285 15.3285 16.9314 16.9314 k = 0.4750 0.3320-0.0000 ( 1036 PWs) bands (ev): 2.8138 2.8138 2.8974 2.8974 3.0418 3.0418 3.4420 3.4420 3.6944 3.6944 3.8454 3.8454 4.0005 4.0005 4.1614 4.1614 4.3502 4.3502 4.3993 4.3993 8.4060 8.4060 9.0776 9.0776 13.8716 13.8716 14.7930 14.7930 15.3410 15.3410 16.9441 16.9441 k = 0.4708 0.3392-0.0000 ( 1036 PWs) bands (ev): 2.8209 2.8209 2.9055 2.9055 3.0440 3.0440 3.4423 3.4423 3.6928 3.6928 3.8442 3.8442 3.9957 3.9957 4.1579 4.1579 4.3426 4.3426 4.3936 4.3936 8.4346 8.4346 9.0960 9.0960 13.8940 13.8940 14.8161 14.8161 15.3559 15.3559 16.9590 16.9590 k = 0.4667 0.3464-0.0000 ( 1036 PWs) bands (ev): 2.8290 2.8290 2.9148 2.9148 3.0466 3.0466 3.4426 3.4426 3.6909 3.6909 3.8428 3.8428 3.9902 3.9902 4.1539 4.1539 4.3342 4.3342 4.3872 4.3872 8.4675 8.4675 9.1173 9.1173 13.9198 13.9198 14.8426 14.8426 15.3731 15.3731 16.9761 16.9761 k = 0.4625 0.3536-0.0000 ( 1036 PWs) bands (ev): 2.8381 2.8381 2.9251 2.9251 3.0495 3.0495 3.4429 3.4429 3.6887 3.6887 3.8413 3.8413 3.9839 3.9839 4.1494 4.1494 4.3250 4.3250 4.3801 4.3801 8.5046 8.5046 9.1412 9.1412 13.9490 13.9490 14.8727 14.8727 15.3926 15.3926 16.9955 16.9955 k = 0.4583 0.3608-0.0000 ( 1040 PWs) bands (ev): 2.8481 2.8481 2.9366 2.9366 3.0526 3.0526 3.4432 3.4432 3.6863 3.6863 3.8396 3.8396 3.9767 3.9767 4.1445 4.1445 4.3151 4.3151 4.3723 4.3723 8.5456 8.5456 9.1680 9.1680 13.9817 13.9817 14.9062 14.9062 15.4144 15.4144 17.0170 17.0170 k = 0.4542 0.3681-0.0000 ( 1038 PWs) bands (ev): 2.8591 2.8591 2.9490 2.9490 3.0562 3.0562 3.4435 3.4435 3.6837 3.6837 3.8378 3.8378 3.9687 3.9687 4.1393 4.1393 4.3047 4.3047 4.3641 4.3641 8.5907 8.5907 9.1974 9.1974 14.0177 14.0177 14.9432 14.9432 15.4385 15.4385 17.0408 17.0408 k = 0.4500 0.3753-0.0000 ( 1038 PWs) bands (ev): 2.8710 2.8710 2.9624 2.9624 3.0600 3.0600 3.4437 3.4437 3.6808 3.6808 3.8358 3.8358 3.9598 3.9598 4.1338 4.1338 4.2936 4.2936 4.3554 4.3554 8.6396 8.6396 9.2295 9.2295 14.0572 14.0572 14.9836 14.9836 15.4651 15.4651 17.0666 17.0666 k = 0.4458 0.3825-0.0000 ( 1038 PWs) bands (ev): 2.8838 2.8838 2.9766 2.9766 3.0642 3.0642 3.4439 3.4439 3.6776 3.6776 3.8338 3.8338 3.9501 3.9501 4.1282 4.1282 4.2821 4.2821 4.3464 4.3464 8.6922 8.6922 9.2644 9.2644 14.1000 14.1000 15.0274 15.0274 15.4939 15.4939 17.0945 17.0945 k = 0.4417 0.3897-0.0000 ( 1036 PWs) bands (ev): 2.8974 2.8974 2.9917 2.9917 3.0687 3.0687 3.4441 3.4441 3.6742 3.6742 3.8316 3.8316 3.9395 3.9395 4.1224 4.1224 4.2701 4.2701 4.3371 4.3371 8.7486 8.7486 9.3018 9.3018 14.1463 14.1463 15.0746 15.0746 15.5251 15.5251 17.1245 17.1245 k = 0.4375 0.3969-0.0000 ( 1036 PWs) bands (ev): 2.9118 2.9118 3.0073 3.0073 3.0735 3.0735 3.4442 3.4442 3.6707 3.6707 3.8293 3.8293 3.9280 3.9280 4.1165 4.1165 4.2578 4.2578 4.3277 4.3277 8.8085 8.8085 9.3420 9.3420 14.1958 14.1958 15.1252 15.1252 15.5586 15.5586 17.1564 17.1564 k = 0.4333 0.4041-0.0000 ( 1032 PWs) bands (ev): 2.9269 2.9269 3.0235 3.0235 3.0788 3.0788 3.4442 3.4442 3.6669 3.6669 3.8270 3.8270 3.9158 3.9158 4.1106 4.1106 4.2452 4.2452 4.3182 4.3182 8.8720 8.8720 9.3847 9.3847 14.2487 14.2487 15.1790 15.1790 15.5944 15.5944 17.1902 17.1902 k = 0.4292 0.4114-0.0000 ( 1032 PWs) bands (ev): 2.9427 2.9427 3.0398 3.0398 3.0846 3.0846 3.4440 3.4440 3.6629 3.6629 3.8245 3.8245 3.9028 3.9028 4.1049 4.1049 4.2324 4.2324 4.3088 4.3088 8.9389 8.9389 9.4301 9.4301 14.3049 14.3049 15.2362 15.2362 15.6323 15.6323 17.2257 17.2257 k = 0.4250 0.4186-0.0000 ( 1032 PWs) bands (ev): 2.9591 2.9591 3.0559 3.0559 3.0913 3.0913 3.4438 3.4438 3.6588 3.6588 3.8219 3.8219 3.8891 3.8891 4.0992 4.0992 4.2193 4.2193 4.2993 4.2993 9.0091 9.0091 9.4780 9.4780 14.3644 14.3644 15.2965 15.2965 15.6723 15.6723 17.1569 17.1569 k = 0.4208 0.4258-0.0000 ( 1034 PWs) bands (ev): 2.9759 2.9759 3.0710 3.0710 3.0996 3.0996 3.4433 3.4433 3.6546 3.6546 3.8193 3.8193 3.8748 3.8748 4.0937 4.0937 4.2060 4.2060 4.2900 4.2900 9.0825 9.0825 9.5286 9.5286 14.4271 14.4271 15.3601 15.3601 15.7137 15.7137 16.8726 16.8726 k = 0.4167 0.4330-0.0000 ( 1034 PWs) bands (ev): 2.9933 2.9933 3.0838 3.0838 3.1105 3.1105 3.4427 3.4427 3.6502 3.6502 3.8167 3.8167 3.8600 3.8600 4.0885 4.0885 4.1927 4.1927 4.2809 4.2809 9.1592 9.1592 9.5817 9.5817 14.4930 14.4930 15.4266 15.4266 15.7555 15.7555 16.5920 16.5920 k = 0.4125 0.4402-0.0000 ( 1034 PWs) bands (ev): 3.0110 3.0110 3.0938 3.0938 3.1246 3.1246 3.4419 3.4419 3.6458 3.6458 3.8140 3.8140 3.8450 3.8450 4.0835 4.0835 4.1794 4.1794 4.2719 4.2719 9.2389 9.2389 9.6374 9.6374 14.5621 14.5621 15.4958 15.4958 15.7935 15.7935 16.3196 16.3196 k = 0.4083 0.4474-0.0000 ( 1034 PWs) bands (ev): 3.0291 3.0291 3.1018 3.1018 3.1407 3.1407 3.4408 3.4408 3.6412 3.6412 3.8112 3.8112 3.8298 3.8298 4.0788 4.0788 4.1661 4.1661 4.2631 4.2631 9.3217 9.3217 9.6957 9.6957 14.6342 14.6342 15.5662 15.5662 15.8043 15.8043 16.0807 16.0807 k = 0.4042 0.4547-0.0000 ( 1038 PWs) bands (ev): 3.0472 3.0472 3.1089 3.1089 3.1577 3.1577 3.4395 3.4395 3.6366 3.6366 3.8075 3.8075 3.8156 3.8156 4.0744 4.0744 4.1530 4.1530 4.2545 4.2545 9.4074 9.4074 9.7566 9.7566 14.7092 14.7092 15.6106 15.6106 15.7025 15.7025 15.9880 15.9880 k = 0.4000 0.4619-0.0000 ( 1036 PWs) bands (ev): 3.0654 3.0654 3.1156 3.1156 3.1749 3.1749 3.4380 3.4380 3.6320 3.6320 3.7969 3.7969 3.8085 3.8085 4.0702 4.0702 4.1402 4.1402 4.2461 4.2461 9.4961 9.4961 9.8201 9.8201 14.7867 14.7867 15.4087 15.4087 15.7359 15.7359 16.0146 16.0146 k = 0.3958 0.4691-0.0000 ( 1036 PWs) bands (ev): 3.0833 3.0833 3.1224 3.1224 3.1920 3.1920 3.4361 3.4361 3.6272 3.6272 3.7823 3.7823 3.8060 3.8060 4.0663 4.0663 4.1279 4.1279 4.2379 4.2379 9.5877 9.5877 9.8862 9.8862 14.8644 14.8644 15.1473 15.1473 15.8151 15.8151 16.0653 16.0653 k = 0.3917 0.4763-0.0000 ( 1032 PWs) bands (ev): 3.1006 3.1006 3.1298 3.1298 3.2087 3.2087 3.4340 3.4340 3.6224 3.6224 3.7676 3.7676 3.8044 3.8044 4.0623 4.0623 4.1163 4.1163 4.2299 4.2299 9.6821 9.6821 9.9550 9.9550 14.8509 14.8509 14.9745 14.9745 15.8997 15.8997 16.1241 16.1241 k = 0.3875 0.4835-0.0000 ( 1028 PWs) bands (ev): 3.1159 3.1159 3.1388 3.1388 3.2247 3.2247 3.4315 3.4315 3.6175 3.6175 3.7534 3.7534 3.8034 3.8034 4.0583 4.0583 4.1057 4.1057 4.2221 4.2221 9.7792 9.7792 10.0264 10.0264 14.5938 14.5938 15.0476 15.0476 15.9879 15.9879 16.1877 16.1877 k = 0.3833 0.4907-0.0000 ( 1032 PWs) bands (ev): 3.1275 3.1275 3.1509 3.1509 3.2399 3.2399 3.4286 3.4286 3.6125 3.6125 3.7398 3.7398 3.8029 3.8029 4.0536 4.0536 4.0964 4.0964 4.2143 4.2143 9.8791 9.8791 10.1004 10.1004 14.3254 14.3254 15.1357 15.1357 16.0792 16.0792 16.2551 16.2551 k = 0.3792 0.4980-0.0000 ( 1030 PWs) bands (ev): 3.1356 3.1356 3.1658 3.1658 3.2542 3.2542 3.4254 3.4254 3.6073 3.6073 3.7270 3.7270 3.8031 3.8031 4.0481 4.0481 4.0890 4.0890 4.2067 4.2067 9.9817 9.9817 10.1772 10.1772 14.0573 14.0573 15.2275 15.2275 16.1734 16.1734 16.3261 16.3261 k = 0.3750 0.5052-0.0000 ( 1026 PWs) bands (ev): 3.1419 3.1419 3.1818 3.1818 3.2676 3.2676 3.4218 3.4218 3.6021 3.6021 3.7153 3.7153 3.8040 3.8040 4.0418 4.0418 4.0836 4.0836 4.1993 4.1993 10.0870 10.0870 10.2566 10.2566 13.7908 13.7908 15.3220 15.3220 16.2705 16.2705 16.4005 16.4005 k = 0.3708 0.5124-0.0000 ( 1024 PWs) bands (ev): 3.1472 3.1472 3.1978 3.1978 3.2800 3.2800 3.4178 3.4178 3.5967 3.5967 3.7046 3.7046 3.8056 3.8056 4.0346 4.0346 4.0802 4.0802 4.1920 4.1920 10.1948 10.1948 10.3388 10.3388 13.5263 13.5263 15.4187 15.4187 16.3702 16.3702 16.4784 16.4784 k = 0.3667 0.5196-0.0000 ( 1024 PWs) bands (ev): 3.1517 3.1517 3.2130 3.2130 3.2914 3.2914 3.4133 3.4133 3.5914 3.5914 3.6952 3.6952 3.8078 3.8078 4.0270 4.0270 4.0785 4.0785 4.1849 4.1849 10.3053 10.3053 10.4238 10.4238 13.2638 13.2638 15.5173 15.5173 16.4721 16.4721 16.5600 16.5600 k = 0.3625 0.5268-0.0000 ( 1026 PWs) bands (ev): 3.1558 3.1558 3.2271 3.2271 3.3019 3.3019 3.4083 3.4083 3.5861 3.5861 3.6869 3.6869 3.8106 3.8106 4.0194 4.0194 4.0779 4.0779 4.1780 4.1780 10.4183 10.4183 10.5115 10.5115 13.0037 13.0037 15.6170 15.6170 16.5758 16.5758 16.6459 16.6459 k = 0.3583 0.5340-0.0000 ( 1026 PWs) bands (ev): 3.1593 3.1593 3.2398 3.2398 3.3117 3.3117 3.4028 3.4028 3.5811 3.5811 3.6799 3.6799 3.8138 3.8138 4.0123 4.0123 4.0784 4.0784 4.1713 4.1713 10.5338 10.5338 10.6022 10.6022 12.7459 12.7459 15.7172 15.7172 16.6800 16.6800 16.7371 16.7371 k = 0.3542 0.5413-0.0000 ( 1026 PWs) bands (ev): 3.1623 3.1623 3.2507 3.2507 3.3211 3.3211 3.3969 3.3969 3.5765 3.5765 3.6741 3.6741 3.8172 3.8172 4.0060 4.0060 4.0796 4.0796 4.1649 4.1649 10.6516 10.6516 10.6958 10.6958 12.4907 12.4907 15.8166 15.8166 16.7830 16.7830 16.8353 16.8353 k = 0.3500 0.5485-0.0000 ( 1026 PWs) bands (ev): 3.1647 3.1647 3.2595 3.2595 3.3302 3.3302 3.3907 3.3907 3.5725 3.5725 3.6696 3.6696 3.8205 3.8205 4.0006 4.0006 4.0813 4.0813 4.1590 4.1590 10.7709 10.7709 10.7931 10.7931 12.2380 12.2380 15.9135 15.9135 16.8838 16.8838 16.9415 16.9415 k = 0.3458 0.5557-0.0000 ( 1022 PWs) bands (ev): 3.1667 3.1667 3.2663 3.2663 3.3391 3.3391 3.3841 3.3841 3.5693 3.5693 3.6661 3.6661 3.8235 3.8235 3.9963 3.9963 4.0834 4.0834 4.1537 4.1537 10.8856 10.8856 10.9001 10.9001 11.9883 11.9883 16.0045 16.0045 16.9835 16.9835 17.0543 17.0543 k = 0.3417 0.5629-0.0000 ( 1022 PWs) bands (ev): 3.1680 3.1680 3.2708 3.2708 3.3476 3.3476 3.3772 3.3772 3.5668 3.5668 3.6637 3.6637 3.8258 3.8258 3.9933 3.9933 4.0854 4.0854 4.1493 4.1493 10.9901 10.9901 11.0219 11.0219 11.7419 11.7419 16.0843 16.0843 17.0833 17.0833 17.1719 17.1719 k = 0.3375 0.5701-0.0000 ( 1026 PWs) bands (ev): 3.1688 3.1688 3.2734 3.2734 3.3556 3.3556 3.3702 3.3702 3.5653 3.5653 3.6623 3.6623 3.8272 3.8272 3.9915 3.9915 4.0870 4.0870 4.1463 4.1463 11.0950 11.0950 11.1452 11.1452 11.5017 11.5017 16.1434 16.1434 17.1819 17.1819 17.2923 17.2923 k = 0.3333 0.5774-0.0000 ( 1026 PWs) bands (ev): 3.1690 3.1690 3.2743 3.2743 3.3619 3.3619 3.3642 3.3642 3.5649 3.5649 3.6619 3.6619 3.8278 3.8278 3.9909 3.9909 4.0876 4.0876 4.1452 4.1452 11.1908 11.1908 11.2185 11.2185 11.3285 11.3285 16.1671 16.1671 17.2499 17.2499 17.3361 17.3361 k = 0.3333 0.5774-0.0000 ( 1026 PWs) bands (ev): 3.1690 3.1690 3.2743 3.2743 3.3619 3.3619 3.3642 3.3642 3.5649 3.5649 3.6619 3.6619 3.8278 3.8278 3.9909 3.9909 4.0876 4.0876 4.1452 4.1452 11.1908 11.1908 11.2185 11.2185 11.3285 11.3285 16.1671 16.1671 17.2499 17.2499 17.3361 17.3361 k = 0.3291 0.5700-0.0000 ( 1024 PWs) bands (ev): 3.1688 3.1688 3.2735 3.2735 3.3559 3.3559 3.3699 3.3699 3.5654 3.5654 3.6623 3.6623 3.8273 3.8273 3.9914 3.9914 4.0869 4.0869 4.1464 4.1464 10.9966 10.9966 11.3164 11.3164 11.4289 11.4289 16.1378 16.1378 17.2076 17.2076 17.2797 17.2797 k = 0.3249 0.5627-0.0000 ( 1024 PWs) bands (ev): 3.1680 3.1680 3.2714 3.2714 3.3490 3.3490 3.3757 3.3757 3.5668 3.5668 3.6636 3.6636 3.8257 3.8257 3.9928 3.9928 4.0847 4.0847 4.1501 4.1501 10.7604 10.7604 11.4308 11.4308 11.5632 11.5632 16.0483 16.0483 17.1170 17.1170 17.2161 17.2161 k = 0.3207 0.5554-0.0000 ( 1024 PWs) bands (ev): 3.1669 3.1669 3.2681 3.2681 3.3423 3.3423 3.3806 3.3806 3.5691 3.5691 3.6656 3.6656 3.8232 3.8232 3.9947 3.9947 4.0813 4.0813 4.1558 4.1558 10.5243 10.5243 11.5481 11.5481 11.7025 11.7025 15.9100 15.9100 16.9575 16.9575 17.2609 17.2610 k = 0.3165 0.5481-0.0000 ( 1029 PWs) bands (ev): 3.1652 3.1652 3.2638 3.2638 3.3358 3.3358 3.3846 3.3846 3.5721 3.5721 3.6682 3.6682 3.8199 3.8199 3.9969 3.9969 4.0772 4.0772 4.1631 4.1631 10.2904 10.2904 11.6683 11.6683 11.8451 11.8451 15.7411 15.7411 16.7865 16.7865 17.3448 17.3448 k = 0.3122 0.5408-0.0000 ( 1029 PWs) bands (ev): 3.1633 3.1633 3.2589 3.2589 3.3296 3.3296 3.3879 3.3879 3.5756 3.5756 3.6715 3.6715 3.8160 3.8160 3.9990 3.9990 4.0728 4.0728 4.1717 4.1717 10.0590 10.0590 11.7911 11.7911 11.9906 11.9906 15.5553 15.5553 16.6086 16.6086 17.4523 17.4523 k = 0.3080 0.5335-0.0000 ( 1029 PWs) bands (ev): 3.1611 3.1611 3.2534 3.2534 3.3236 3.3236 3.3906 3.3906 3.5795 3.5795 3.6751 3.6751 3.8117 3.8117 4.0008 4.0008 4.0685 4.0685 4.1812 4.1812 9.8305 9.8305 11.9162 11.9162 12.1388 12.1388 15.3611 15.3611 16.4258 16.4258 17.5751 17.5751 k = 0.3038 0.5262-0.0000 ( 1029 PWs) bands (ev): 3.1588 3.1588 3.2477 3.2477 3.3178 3.3178 3.3928 3.3928 3.5837 3.5837 3.6791 3.6791 3.8069 3.8069 4.0018 4.0018 4.0647 4.0647 4.1912 4.1912 9.6048 9.6048 12.0434 12.0434 12.2898 12.2898 15.1635 15.1635 16.2397 16.2397 17.7086 17.7086 k = 0.2996 0.5189-0.0000 ( 1025 PWs) bands (ev): 3.1563 3.1563 3.2418 3.2418 3.3122 3.3122 3.3946 3.3946 3.5879 3.5879 3.6833 3.6833 3.8019 3.8019 4.0018 4.0018 4.0618 4.0618 4.2015 4.2015 9.3821 9.3821 12.1722 12.1722 12.4434 12.4434 14.9657 14.9657 16.0512 16.0512 17.8500 17.8500 k = 0.2954 0.5116-0.0000 ( 1025 PWs) bands (ev): 3.1538 3.1538 3.2359 3.2359 3.3067 3.3067 3.3960 3.3960 3.5921 3.5921 3.6876 3.6876 3.7967 3.7967 4.0004 4.0004 4.0599 4.0599 4.2119 4.2119 9.1624 9.1624 12.3019 12.3019 12.5996 12.5996 14.7703 14.7703 15.8614 15.8614 17.9977 17.9977 k = 0.2911 0.5043-0.0000 ( 1025 PWs) bands (ev): 3.1512 3.1512 3.2300 3.2300 3.3014 3.3014 3.3971 3.3971 3.5962 3.5962 3.6918 3.6918 3.7913 3.7913 3.9978 3.9978 4.0592 4.0592 4.2221 4.2221 8.9457 8.9457 12.4313 12.4313 12.7586 12.7586 14.5793 14.5793 15.6708 15.6708 18.1506 18.1506 k = 0.2869 0.4970-0.0000 ( 1025 PWs) bands (ev): 3.1487 3.1487 3.2244 3.2244 3.2963 3.2963 3.3981 3.3981 3.6000 3.6000 3.6958 3.6958 3.7859 3.7859 3.9939 3.9939 4.0597 4.0597 4.2321 4.2321 8.7323 8.7323 12.5585 12.5585 12.9201 12.9201 14.3956 14.3956 15.4800 15.4800 18.3082 18.3082 k = 0.2827 0.4897-0.0000 ( 1029 PWs) bands (ev): 3.1463 3.1463 3.2190 3.2190 3.2913 3.2913 3.3988 3.3988 3.6033 3.6033 3.6996 3.6996 3.7804 3.7804 3.9889 3.9889 4.0610 4.0610 4.2417 4.2417 8.5219 8.5219 12.6799 12.6799 13.0843 13.0843 14.2231 14.2231 15.2894 15.2894 18.4699 18.4699 k = 0.2785 0.4823-0.0000 ( 1029 PWs) bands (ev): 3.1441 3.1441 3.2140 3.2140 3.2866 3.2866 3.3995 3.3995 3.6063 3.6063 3.7030 3.7030 3.7751 3.7751 3.9832 3.9832 4.0631 4.0631 4.2507 4.2507 8.3149 8.3149 12.7892 12.7892 13.2512 13.2512 14.0685 14.0685 15.0995 15.0995 18.6354 18.6354 k = 0.2743 0.4750-0.0000 ( 1029 PWs) bands (ev): 3.1420 3.1420 3.2094 3.2094 3.2821 3.2821 3.4001 3.4001 3.6086 3.6086 3.7058 3.7058 3.7700 3.7700 3.9770 3.9770 4.0656 4.0656 4.2591 4.2591 8.1111 8.1111 12.8746 12.8746 13.4206 13.4206 13.9439 13.9439 14.9104 14.9104 18.8044 18.8044 k = 0.2700 0.4677-0.0000 ( 1029 PWs) bands (ev): 3.1402 3.1402 3.2051 3.2051 3.2779 3.2779 3.4006 3.4006 3.6102 3.6102 3.7080 3.7080 3.7652 3.7652 3.9704 3.9704 4.0685 4.0685 4.2667 4.2667 7.9107 7.9107 12.9176 12.9176 13.5926 13.5926 13.8681 13.8681 14.7225 14.7225 18.9768 18.9768 k = 0.2658 0.4604-0.0000 ( 1029 PWs) bands (ev): 3.1387 3.1387 3.2013 3.2013 3.2741 3.2741 3.4010 3.4010 3.6111 3.6111 3.7093 3.7093 3.7610 3.7610 3.9637 3.9637 4.0717 4.0717 4.2735 4.2735 7.7138 7.7138 12.9006 12.9006 13.7671 13.7671 13.8586 13.8586 14.5360 14.5360 19.1525 19.1525 k = 0.2616 0.4531-0.0000 ( 1031 PWs) bands (ev): 3.1375 3.1375 3.1979 3.1979 3.2705 3.2705 3.4012 3.4012 3.6111 3.6111 3.7093 3.7093 3.7576 3.7576 3.9568 3.9568 4.0750 4.0750 4.2794 4.2794 7.5204 7.5204 12.8249 12.8249 13.9144 13.9144 13.9437 13.9437 14.3516 14.3516 19.3312 19.3312 k = 0.2574 0.4458-0.0000 ( 1031 PWs) bands (ev): 3.1366 3.1366 3.1949 3.1949 3.2673 3.2673 3.4013 3.4013 3.6101 3.6101 3.7077 3.7077 3.7553 3.7553 3.9499 3.9499 4.0784 4.0784 4.2843 4.2843 7.3306 7.3306 12.7090 12.7090 14.0169 14.0169 14.1101 14.1101 14.1818 14.1818 19.5129 19.5129 k = 0.2532 0.4385-0.0000 ( 1035 PWs) bands (ev): 3.1360 3.1360 3.1923 3.1923 3.2645 3.2645 3.4013 3.4013 3.6081 3.6081 3.7044 3.7044 3.7543 3.7543 3.9431 3.9431 4.0819 4.0819 4.2882 4.2882 7.1446 7.1446 12.5707 12.5707 13.9797 13.9797 14.1501 14.1501 14.3115 14.3115 19.6976 19.6976 k = 0.2489 0.4312-0.0000 ( 1031 PWs) bands (ev): 3.1359 3.1359 3.1902 3.1902 3.2621 3.2621 3.4010 3.4010 3.6052 3.6052 3.6995 3.6995 3.7546 3.7546 3.9365 3.9365 4.0855 4.0855 4.2911 4.2911 6.9623 6.9623 12.4213 12.4213 13.8009 13.8009 14.2998 14.2998 14.4955 14.4955 19.8852 19.8852 k = 0.2447 0.4239-0.0000 ( 1035 PWs) bands (ev): 3.1361 3.1361 3.1885 3.1885 3.2602 3.2602 3.4004 3.4004 3.6012 3.6012 3.6930 3.6930 3.7556 3.7556 3.9301 3.9301 4.0891 4.0891 4.2928 4.2928 6.7840 6.7840 12.2667 12.2667 13.6226 13.6226 14.4619 14.4619 14.6832 14.6832 20.0755 20.0755 k = 0.2405 0.4166-0.0000 ( 1039 PWs) bands (ev): 3.1366 3.1366 3.1871 3.1871 3.2585 3.2585 3.3993 3.3993 3.5962 3.5962 3.6853 3.6853 3.7572 3.7572 3.9241 3.9241 4.0928 4.0928 4.2935 4.2935 6.6098 6.6098 12.1103 12.1103 13.4458 13.4458 14.6327 14.6327 14.8737 14.8737 20.2685 20.2685 k = 0.2363 0.4093-0.0000 ( 1037 PWs) bands (ev): 3.1374 3.1374 3.1861 3.1861 3.2575 3.2575 3.3978 3.3978 3.5902 3.5902 3.6766 3.6766 3.7592 3.7592 3.9185 3.9185 4.0964 4.0964 4.2930 4.2930 6.4399 6.4399 11.9541 11.9541 13.2709 13.2709 14.8105 14.8105 15.0670 15.0670 20.4643 20.4643 k = 0.2321 0.4020-0.0000 ( 1037 PWs) bands (ev): 3.1385 3.1385 3.1854 3.1854 3.2570 3.2570 3.3954 3.3954 3.5832 3.5832 3.6671 3.6671 3.7612 3.7612 3.9134 3.9134 4.1001 4.1001 4.2914 4.2914 6.2744 6.2744 11.7992 11.7992 13.0979 13.0979 14.9941 14.9941 15.2629 15.2629 20.6627 20.6627 k = 0.2278 0.3946-0.0000 ( 1037 PWs) bands (ev): 3.1398 3.1398 3.1851 3.1851 3.2570 3.2570 3.3921 3.3921 3.5753 3.5753 3.6570 3.6570 3.7631 3.7631 3.9089 3.9089 4.1037 4.1037 4.2886 4.2886 6.1135 6.1135 11.6464 11.6464 12.9269 12.9269 15.1827 15.1827 15.4616 15.4616 20.8638 20.8638 k = 0.2236 0.3873-0.0000 ( 1041 PWs) bands (ev): 3.1412 3.1412 3.1850 3.1850 3.2575 3.2575 3.3873 3.3873 3.5665 3.5665 3.6465 3.6465 3.7647 3.7647 3.9051 3.9051 4.1073 4.1073 4.2846 4.2846 5.9575 5.9575 11.4962 11.4962 12.7578 12.7578 15.3758 15.3758 15.6628 15.6628 21.0673 21.0673 k = 0.2194 0.3800-0.0000 ( 1041 PWs) bands (ev): 3.1424 3.1424 3.1852 3.1852 3.2587 3.2587 3.3809 3.3809 3.5569 3.5569 3.6360 3.6360 3.7660 3.7660 3.9020 3.9020 4.1109 4.1109 4.2794 4.2794 5.8066 5.8066 11.3488 11.3488 12.5909 12.5909 15.5732 15.5732 15.8667 15.8667 21.2734 21.2734 k = 0.2152 0.3727-0.0000 ( 1041 PWs) bands (ev): 3.1433 3.1433 3.1857 3.1857 3.2603 3.2603 3.3723 3.3723 3.5468 3.5468 3.6257 3.6257 3.7669 3.7669 3.8998 3.8998 4.1145 4.1145 4.2731 4.2731 5.6610 5.6610 11.2047 11.2047 12.4260 12.4260 15.7745 15.7745 16.0732 16.0732 21.4819 21.4819 k = 0.2110 0.3654-0.0000 ( 1041 PWs) bands (ev): 3.1434 3.1434 3.1866 3.1866 3.2624 3.2624 3.3611 3.3611 3.5364 3.5364 3.6159 3.6159 3.7672 3.7672 3.8985 3.8985 4.1180 4.1180 4.2656 4.2656 5.5211 5.5211 11.0639 11.0639 12.2632 12.2632 15.9796 15.9796 16.2824 16.2824 21.6927 21.6927 k = 0.2068 0.3581-0.0000 ( 1045 PWs) bands (ev): 3.1422 3.1422 3.1880 3.1880 3.2648 3.2648 3.3471 3.3471 3.5261 3.5261 3.6067 3.6067 3.7672 3.7672 3.8980 3.8980 4.1213 4.1213 4.2570 4.2570 5.3872 5.3872 10.9266 10.9266 12.1025 12.1025 16.1883 16.1883 16.4941 16.4941 21.9059 21.9059 k = 0.2025 0.3508-0.0000 ( 1045 PWs) bands (ev): 3.1389 3.1389 3.1899 3.1899 3.2670 3.2670 3.3307 3.3307 3.5162 3.5162 3.5984 3.5984 3.7667 3.7667 3.8983 3.8983 4.1247 4.1247 4.2474 4.2474 5.2595 5.2595 10.7930 10.7930 11.9440 11.9440 16.4006 16.4006 16.7085 16.7085 22.1212 22.1212 k = 0.1983 0.3435-0.0000 ( 1041 PWs) bands (ev): 3.1323 3.1323 3.1924 3.1924 3.2672 3.2672 3.3140 3.3140 3.5071 3.5071 3.5909 3.5909 3.7659 3.7659 3.8994 3.8994 4.1281 4.1281 4.2367 4.2367 5.1385 5.1385 10.6630 10.6630 11.7877 11.7877 16.6163 16.6163 16.9254 16.9254 22.3388 22.3388 k = 0.1941 0.3362-0.0000 ( 1033 PWs) bands (ev): 3.1208 3.1208 3.1957 3.1957 3.2610 3.2610 3.3028 3.3028 3.4989 3.4989 3.5845 3.5845 3.7650 3.7650 3.9012 3.9012 4.1313 4.1313 4.2251 4.2251 5.0244 5.0244 10.5368 10.5368 11.6335 11.6335 16.8354 16.8354 17.1449 17.1449 22.5583 22.5583 k = 0.1899 0.3289-0.0000 ( 1033 PWs) bands (ev): 3.1019 3.1019 3.1992 3.1992 3.2465 3.2465 3.3010 3.3010 3.4914 3.4914 3.5789 3.5789 3.7639 3.7639 3.9035 3.9035 4.1343 4.1343 4.2126 4.2126 4.9173 4.9173 10.4144 10.4144 11.4816 11.4816 17.0577 17.0577 17.3670 17.3670 22.7797 22.7797 k = 0.1857 0.3216-0.0000 ( 1037 PWs) bands (ev): 3.0735 3.0735 3.2025 3.2025 3.2305 3.2305 3.3049 3.3049 3.4846 3.4846 3.5742 3.5742 3.7628 3.7628 3.9063 3.9063 4.1370 4.1370 4.1993 4.1993 4.8176 4.8176 10.2958 10.2958 11.3319 11.3319 17.2832 17.2832 17.5917 17.5917 23.0029 23.0029 k = 0.1814 0.3143-0.0000 ( 1037 PWs) bands (ev): 3.0347 3.0347 3.2027 3.2027 3.2198 3.2198 3.3113 3.3113 3.4785 3.4785 3.5705 3.5705 3.7619 3.7619 3.9095 3.9095 4.1393 4.1393 4.1854 4.1854 4.7251 4.7251 10.1810 10.1810 11.1844 11.1844 17.5118 17.5118 17.8189 17.8189 23.2277 23.2277 k = 0.1772 0.3069-0.0000 ( 1037 PWs) bands (ev): 2.9861 2.9861 3.1956 3.1956 3.2194 3.2194 3.3189 3.3189 3.4731 3.4731 3.5675 3.5675 3.7613 3.7613 3.9130 3.9130 4.1407 4.1407 4.1717 4.1717 4.6401 4.6401 10.0702 10.0702 11.0392 11.0392 17.7435 17.7435 18.0486 18.0486 23.4538 23.4538 k = 0.1730 0.2996-0.0000 ( 1037 PWs) bands (ev): 2.9293 2.9293 3.1858 3.1858 3.2235 3.2235 3.3273 3.3273 3.4683 3.4683 3.5654 3.5654 3.7611 3.7611 3.9167 3.9167 4.1387 4.1387 4.1605 4.1605 4.5622 4.5622 9.9631 9.9631 10.8962 10.8962 17.9783 17.9783 18.2809 18.2809 23.6811 23.6811 k = 0.1688 0.2923-0.0000 ( 1037 PWs) bands (ev): 2.8659 2.8659 3.1758 3.1758 3.2288 3.2288 3.3363 3.3363 3.4641 3.4641 3.5640 3.5640 3.7613 3.7613 3.9205 3.9205 4.1293 4.1293 4.1559 4.1559 4.4913 4.4913 9.8599 9.8599 10.7555 10.7555 18.2161 18.2161 18.5157 18.5157 23.9093 23.9094 k = 0.1646 0.2850-0.0000 ( 1045 PWs) bands (ev): 2.7972 2.7972 3.1655 3.1655 3.2345 3.2345 3.3454 3.3454 3.4605 3.4605 3.5634 3.5634 3.7620 3.7620 3.9244 3.9244 4.1145 4.1145 4.1559 4.1559 4.4269 4.4269 9.7605 9.7605 10.6172 10.6172 18.4567 18.4567 18.7530 18.7530 24.1380 24.1380 k = 0.1603 0.2777-0.0000 ( 1041 PWs) bands (ev): 2.7241 2.7241 3.1548 3.1548 3.2405 3.2405 3.3548 3.3548 3.4577 3.4577 3.5637 3.5637 3.7632 3.7632 3.9283 3.9283 4.0979 4.0979 4.1571 4.1571 4.3689 4.3689 9.6649 9.6649 10.4811 10.4811 18.7003 18.7003 18.9929 18.9929 24.3669 24.3669 k = 0.1561 0.2704-0.0000 ( 1037 PWs) bands (ev): 2.6476 2.6476 3.1433 3.1433 3.2466 3.2466 3.3641 3.3641 3.4556 3.4556 3.5651 3.5651 3.7652 3.7652 3.9321 3.9321 4.0805 4.0805 4.1582 4.1582 4.3168 4.3168 9.5731 9.5731 10.3475 10.3475 18.9467 18.9467 19.2352 19.2352 24.5949 24.5949 k = 0.1519 0.2631-0.0000 ( 1041 PWs) bands (ev): 2.5685 2.5685 3.1310 3.1310 3.2527 3.2527 3.3730 3.3730 3.4539 3.4539 3.5676 3.5676 3.7676 3.7676 3.9356 3.9356 4.0627 4.0627 4.1586 4.1586 4.2707 4.2707 9.4849 9.4849 10.2161 10.2161 19.1959 19.1959 19.4799 19.4799 24.8208 24.8208 k = 0.1477 0.2558-0.0000 ( 1043 PWs) bands (ev): 2.4876 2.4876 3.1176 3.1176 3.2588 3.2588 3.3813 3.3813 3.4528 3.4528 3.5714 3.5714 3.7705 3.7705 3.9388 3.9388 4.0449 4.0449 4.1569 4.1569 4.2315 4.2315 9.4004 9.4004 10.0872 10.0872 19.4478 19.4478 19.7271 19.7271 25.0417 25.0417 k = 0.1435 0.2485-0.0000 ( 1043 PWs) bands (ev): 2.4055 2.4055 3.1034 3.1034 3.2648 3.2648 3.3889 3.3889 3.4520 3.4520 3.5769 3.5769 3.7740 3.7740 3.9414 3.9414 4.0272 4.0272 4.1493 4.1493 4.2025 4.2025 9.3195 9.3195 9.9607 9.9607 19.7025 19.7025 19.9768 19.9768 25.2514 25.2514 k = 0.1392 0.2412-0.0000 ( 1045 PWs) bands (ev): 2.3228 2.3228 3.0882 3.0882 3.2707 3.2707 3.3957 3.3957 3.4514 3.4514 3.5841 3.5841 3.7778 3.7778 3.9430 3.9430 4.0101 4.0101 4.1309 4.1309 4.1883 4.1883 9.2421 9.2421 9.8366 9.8366 19.9598 19.9598 20.2289 20.2289 25.4379 25.4379 k = 0.1350 0.2339-0.0000 ( 1045 PWs) bands (ev): 2.2399 2.2399 3.0721 3.0721 3.2764 3.2764 3.4017 3.4017 3.4509 3.4509 3.5933 3.5933 3.7821 3.7821 3.9429 3.9429 3.9942 3.9942 4.1064 4.1064 4.1841 4.1841 9.1681 9.1681 9.7149 9.7149 20.2197 20.2197 20.4833 20.4833 25.5867 25.5867 k = 0.1308 0.2266-0.0000 ( 1045 PWs) bands (ev): 2.1573 2.1573 3.0551 3.0551 3.2819 3.2819 3.4069 3.4069 3.4502 3.4502 3.6043 3.6043 3.7868 3.7868 3.9398 3.9398 3.9803 3.9803 4.0822 4.0822 4.1836 4.1836 9.0976 9.0976 9.5958 9.5958 20.4822 20.4822 20.7402 20.7402 25.6922 25.6922 k = 0.1266 0.2192-0.0000 ( 1045 PWs) bands (ev): 2.0754 2.0754 3.0373 3.0373 3.2871 3.2871 3.4114 3.4114 3.4494 3.4494 3.6171 3.6171 3.7918 3.7918 3.9323 3.9323 3.9695 3.9695 4.0610 4.0610 4.1842 4.1842 9.0303 9.0303 9.4792 9.4792 20.7471 20.7471 20.9994 20.9994 25.7585 25.7585 k = 0.1224 0.2119-0.0000 ( 1045 PWs) bands (ev): 1.9946 1.9946 3.0188 3.0188 3.2920 3.2920 3.4152 3.4152 3.4483 3.4483 3.6315 3.6315 3.7969 3.7969 3.9208 3.9208 3.9608 3.9608 4.0441 4.0441 4.1854 4.1854 8.9663 8.9663 9.3651 9.3651 21.0145 21.0145 21.2609 21.2609 25.7915 25.7915 k = 0.1181 0.2046-0.0000 ( 1045 PWs) bands (ev): 1.9151 1.9151 2.9997 2.9997 3.2965 3.2965 3.4184 3.4184 3.4472 3.4472 3.6473 3.6473 3.8020 3.8020 3.9072 3.9072 3.9516 3.9516 4.0323 4.0323 4.1868 4.1868 8.9054 8.9054 9.2537 9.2537 21.2843 21.2843 21.5247 21.5247 25.7978 25.7978 k = 0.1139 0.1973-0.0000 ( 1041 PWs) bands (ev): 1.8371 1.8371 2.9801 2.9801 3.3007 3.3007 3.4210 3.4210 3.4462 3.4462 3.6642 3.6642 3.8071 3.8071 3.8929 3.8929 3.9409 3.9409 4.0255 4.0255 4.1884 4.1884 8.8476 8.8476 9.1449 9.1449 21.5564 21.5564 21.7909 21.7909 25.7835 25.7835 k = 0.1097 0.1900-0.0000 ( 1049 PWs) bands (ev): 1.7610 1.7610 2.9599 2.9599 3.3042 3.3042 3.4229 3.4229 3.4453 3.4453 3.6818 3.6818 3.8119 3.8119 3.8787 3.8787 3.9290 3.9290 4.0225 4.0225 4.1900 4.1900 8.7928 8.7928 9.0389 9.0389 21.8307 21.8307 22.0592 22.0592 25.7543 25.7543 k = 0.1055 0.1827-0.0000 ( 1049 PWs) bands (ev): 1.6868 1.6868 2.9394 2.9394 3.3073 3.3073 3.4240 3.4240 3.4448 3.4448 3.6999 3.6999 3.8162 3.8162 3.8655 3.8655 3.9170 3.9170 4.0222 4.0222 4.1916 4.1916 8.7408 8.7408 8.9355 8.9355 22.1072 22.1072 22.3297 22.3297 25.7144 25.7144 k = 0.1013 0.1754-0.0000 ( 1045 PWs) bands (ev): 1.6147 1.6147 2.9187 2.9187 3.3098 3.3098 3.4246 3.4246 3.4448 3.4448 3.7179 3.7179 3.8196 3.8196 3.8536 3.8536 3.9061 3.9061 4.0235 4.0235 4.1933 4.1933 8.6917 8.6917 8.8350 8.8350 22.3858 22.3858 22.6024 22.6024 25.6674 25.6674 k = 0.0970 0.1681-0.0000 ( 1049 PWs) bands (ev): 1.5450 1.5450 2.8979 2.8979 3.3117 3.3117 3.4243 3.4243 3.4452 3.4452 3.7351 3.7351 3.8215 3.8215 3.8437 3.8437 3.8970 3.8970 4.0258 4.0258 4.1949 4.1949 8.6453 8.6453 8.7374 8.7374 22.6665 22.6665 22.8772 22.8772 25.6158 25.6158 k = 0.0928 0.1608-0.0000 ( 1045 PWs) bands (ev): 1.4776 1.4776 2.8771 2.8771 3.3129 3.3129 3.4237 3.4237 3.4458 3.4458 3.7501 3.7501 3.8221 3.8221 3.8367 3.8367 3.8907 3.8907 4.0288 4.0288 4.1966 4.1966 8.6014 8.6014 8.6429 8.6429 22.9490 22.9490 23.1540 23.1540 25.5614 25.5614 k = 0.0886 0.1535-0.0000 ( 1043 PWs) bands (ev): 1.4127 1.4127 2.8563 2.8563 3.3136 3.3136 3.4228 3.4228 3.4466 3.4466 3.7605 3.7605 3.8221 3.8221 3.8334 3.8334 3.8876 3.8876 4.0323 4.0323 4.1983 4.1983 8.5496 8.5496 8.5618 8.5618 23.2334 23.2334 23.4327 23.4327 25.5057 25.5057 k = 0.0844 0.1462-0.0000 ( 1043 PWs) bands (ev): 1.3505 1.3505 2.8357 2.8357 3.3137 3.3137 3.4218 3.4218 3.4474 3.4474 3.7643 3.7643 3.8196 3.8196 3.8375 3.8375 3.8877 3.8877 4.0361 4.0361 4.2001 4.2001 8.4620 8.4620 8.5220 8.5220 23.5195 23.5195 23.7132 23.7132 25.4497 25.4497 k = 0.0802 0.1389-0.0000 ( 1047 PWs) bands (ev): 1.2909 1.2909 2.8153 2.8153 3.3132 3.3132 3.4206 3.4206 3.4481 3.4481 3.7625 3.7625 3.8145 3.8145 3.8485 3.8485 3.8907 3.8907 4.0402 4.0402 4.2019 4.2019 8.3767 8.3767 8.4857 8.4857 23.8070 23.8070 23.9954 23.9954 25.3943 25.3943 k = 0.0759 0.1315-0.0000 ( 1047 PWs) bands (ev): 1.2340 1.2340 2.7954 2.7954 3.3122 3.3122 3.4195 3.4195 3.4487 3.4487 3.7578 3.7578 3.8085 3.8085 3.8619 3.8619 3.8965 3.8965 4.0444 4.0444 4.2038 4.2038 8.2946 8.2946 8.4517 8.4517 24.0960 24.0960 24.2791 24.2791 25.3403 25.3403 k = 0.0717 0.1242-0.0000 ( 1051 PWs) bands (ev): 1.1800 1.1800 2.7758 2.7758 3.3108 3.3108 3.4183 3.4183 3.4490 3.4490 3.7521 3.7521 3.8023 3.8023 3.8741 3.8741 3.9055 3.9055 4.0488 4.0488 4.2059 4.2059 8.2158 8.2158 8.4199 8.4199 24.3861 24.3861 24.5637 24.5637 25.2884 25.2884 k = 0.0675 0.1169-0.0000 ( 1055 PWs) bands (ev): 1.1288 1.1288 2.7568 2.7568 3.3091 3.3091 3.4171 3.4171 3.4491 3.4491 3.7462 3.7462 3.7964 3.7964 3.8836 3.8836 3.9183 3.9183 4.0533 4.0533 4.2082 4.2082 8.1405 8.1405 8.3904 8.3904 24.6770 24.6770 24.8478 24.8478 25.2405 25.2405 k = 0.0633 0.1096-0.0000 ( 1055 PWs) bands (ev): 1.0805 1.0805 2.7385 2.7385 3.3071 3.3071 3.4159 3.4159 3.4491 3.4491 3.7405 3.7405 3.7910 3.7910 3.8907 3.8907 3.9334 3.9334 4.0579 4.0579 4.2107 4.2107 8.0689 8.0689 8.3630 8.3630 24.9675 24.9675 25.1095 25.1095 25.2196 25.2196 k = 0.0591 0.1023-0.0000 ( 1055 PWs) bands (ev): 1.0352 1.0352 2.7210 2.7210 3.3050 3.3050 3.4146 3.4146 3.4488 3.4488 3.7354 3.7354 3.7860 3.7860 3.8963 3.8963 3.9492 3.9492 4.0626 4.0626 4.2135 4.2135 8.0009 8.0009 8.3377 8.3377 25.1254 25.1254 25.2655 25.2655 25.4406 25.4406 k = 0.0549 0.0950-0.0000 ( 1055 PWs) bands (ev): 0.9928 0.9928 2.7043 2.7043 3.3027 3.3027 3.4134 3.4134 3.4484 3.4484 3.7307 3.7307 3.7816 3.7816 3.9012 3.9012 3.9649 3.9649 4.0673 4.0673 4.2167 4.2167 7.9367 7.9367 8.3144 8.3144 25.0882 25.0882 25.5556 25.5556 25.7259 25.7259 k = 0.0506 0.0877-0.0000 ( 1055 PWs) bands (ev): 0.9535 0.9535 2.6885 2.6885 3.3004 3.3004 3.4121 3.4121 3.4479 3.4479 3.7265 3.7265 3.7778 3.7778 3.9055 3.9055 3.9797 3.9797 4.0719 4.0719 4.2202 4.2202 7.8766 7.8766 8.2930 8.2930 25.0488 25.0488 25.8472 25.8472 26.0143 26.0143 k = 0.0464 0.0804-0.0000 ( 1057 PWs) bands (ev): 0.9173 0.9173 2.6736 2.6736 3.2980 3.2980 3.4107 3.4107 3.4472 3.4472 3.7229 3.7229 3.7743 3.7743 3.9094 3.9094 3.9935 3.9935 4.0765 4.0765 4.2241 4.2241 7.8205 7.8205 8.2735 8.2735 25.0114 25.0114 26.1379 26.1379 26.3028 26.3028 k = 0.0422 0.0731-0.0000 ( 1057 PWs) bands (ev): 0.8841 0.8841 2.6598 2.6598 3.2957 3.2957 3.4094 3.4094 3.4465 3.4465 3.7199 3.7199 3.7714 3.7714 3.9130 3.9130 4.0060 4.0060 4.0809 4.0809 4.2284 4.2284 7.7687 7.7687 8.2559 8.2559 24.9766 24.9766 26.4269 26.4269 26.5903 26.5903 k = 0.0380 0.0658-0.0000 ( 1063 PWs) bands (ev): 0.8540 0.8540 2.6472 2.6472 3.2935 3.2935 3.4081 3.4081 3.4456 3.4456 3.7172 3.7172 3.7688 3.7688 3.9161 3.9161 4.0172 4.0172 4.0850 4.0850 4.2330 4.2330 7.7213 7.7213 8.2401 8.2401 24.9449 24.9449 26.7129 26.7129 26.8752 26.8752 k = 0.0338 0.0585-0.0000 ( 1063 PWs) bands (ev): 0.8270 0.8270 2.6357 2.6357 3.2914 3.2914 3.4068 3.4068 3.4448 3.4448 3.7150 3.7150 3.7667 3.7667 3.9190 3.9190 4.0269 4.0269 4.0888 4.0888 4.2379 4.2379 7.6785 7.6785 8.2261 8.2261 24.9162 24.9162 26.9945 26.9945 27.1561 27.1561 k = 0.0295 0.0512-0.0000 ( 1067 PWs) bands (ev): 0.8032 0.8032 2.6253 2.6253 3.2895 3.2895 3.4055 3.4055 3.4440 3.4440 3.7131 3.7131 3.7650 3.7650 3.9214 3.9214 4.0353 4.0353 4.0921 4.0921 4.2428 4.2428 7.6402 7.6402 8.2137 8.2137 24.8907 24.8907 27.2697 27.2697 27.4302 27.4302 k = 0.0253 0.0438-0.0000 ( 1067 PWs) bands (ev): 0.7825 0.7825 2.6163 2.6163 3.2878 3.2878 3.4045 3.4045 3.4432 3.4432 3.7116 3.7116 3.7636 3.7636 3.9236 3.9236 4.0424 4.0424 4.0950 4.0950 4.2476 4.2476 7.6068 7.6068 8.2031 8.2031 24.8685 24.8685 27.5354 27.5354 27.6938 27.6938 k = 0.0211 0.0365-0.0000 ( 1067 PWs) bands (ev): 0.7650 0.7650 2.6086 2.6086 3.2864 3.2864 3.4034 3.4034 3.4427 3.4427 3.7103 3.7103 3.7626 3.7626 3.9254 3.9254 4.0484 4.0484 4.0973 4.0973 4.2522 4.2522 7.5783 7.5783 8.1942 8.1942 24.8496 24.8496 27.7869 27.7869 27.9406 27.9406 k = 0.0169 0.0292-0.0000 ( 1063 PWs) bands (ev): 0.7506 0.7506 2.6023 2.6023 3.2852 3.2852 3.4026 3.4026 3.4422 3.4422 3.7094 3.7094 3.7618 3.7618 3.9269 3.9269 4.0532 4.0532 4.0992 4.0992 4.2563 4.2563 7.5548 7.5548 8.1869 8.1869 24.8341 24.8341 28.0170 28.0170 28.1575 28.1575 k = 0.0127 0.0219-0.0000 ( 1063 PWs) bands (ev): 0.7395 0.7395 2.5973 2.5973 3.2842 3.2842 3.4019 3.4019 3.4417 3.4417 3.7088 3.7088 3.7612 3.7612 3.9281 3.9281 4.0569 4.0569 4.1005 4.1005 4.2596 4.2596 7.5365 7.5365 8.1813 8.1813 24.8221 24.8221 28.2131 28.2131 28.3088 28.3088 k = 0.0084 0.0146-0.0000 ( 1067 PWs) bands (ev): 0.7315 0.7315 2.5938 2.5938 3.2835 3.2835 3.4014 3.4014 3.4413 3.4413 3.7083 3.7083 3.7607 3.7607 3.9288 3.9288 4.0594 4.0594 4.1014 4.1014 4.2622 4.2622 7.5233 7.5233 8.1773 8.1773 24.8134 24.8134 28.3352 28.3352 28.3917 28.3917 k = 0.0042 0.0073-0.0000 ( 1063 PWs) bands (ev): 0.7267 0.7267 2.5917 2.5917 3.2832 3.2832 3.4012 3.4012 3.4411 3.4411 3.7080 3.7080 3.7604 3.7604 3.9294 3.9294 4.0610 4.0610 4.1020 4.1020 4.2638 4.2638 7.5154 7.5154 8.1749 8.1749 24.8082 24.8082 28.3587 28.3587 28.4779 28.4779 k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): 0.7251 0.7251 2.5909 2.5909 3.2830 3.2830 3.4011 3.4011 3.4410 3.4410 3.7079 3.7079 3.7603 3.7603 3.9295 3.9295 4.0616 4.0616 4.1021 4.1021 4.2643 4.2643 7.5127 7.5127 8.1741 8.1741 24.8065 24.8065 28.3624 28.3624 28.5097 28.5097 k = 0.0000 0.0000 0.0000 ( 1063 PWs) bands (ev): 0.7251 0.7251 2.5909 2.5909 3.2830 3.2830 3.4011 3.4011 3.4410 3.4410 3.7079 3.7079 3.7603 3.7603 3.9295 3.9295 4.0616 4.0616 4.1021 4.1021 4.2643 4.2643 7.5127 7.5127 8.1741 8.1741 24.8065 24.8065 28.3624 28.3624 28.5097 28.5097 k = 0.0000 0.0000 0.0084 ( 1069 PWs) bands (ev): 0.7266 0.7266 2.5907 2.5907 3.2829 3.2829 3.4010 3.4010 3.4410 3.4410 3.7079 3.7079 3.7602 3.7602 3.9297 3.9297 4.0616 4.0616 4.1020 4.1020 4.2642 4.2642 7.4581 7.4581 8.2319 8.2319 24.7700 24.7700 28.3989 28.3989 28.5112 28.5112 k = 0.0000 0.0000 0.0168 ( 1069 PWs) bands (ev): 0.7311 0.7311 2.5903 2.5903 3.2829 3.2829 3.4010 3.4010 3.4409 3.4409 3.7077 3.7077 3.7599 3.7599 3.9303 3.9303 4.0621 4.0621 4.1018 4.1018 4.2639 4.2639 7.3297 7.3297 8.3702 8.3702 24.6648 24.6648 28.5055 28.5055 28.5156 28.5156 k = 0.0000 0.0000 0.0253 ( 1070 PWs) bands (ev): 0.7385 0.7385 2.5895 2.5895 3.2830 3.2830 3.4010 3.4010 3.4406 3.4406 3.7074 3.7074 3.7595 3.7595 3.9313 3.9313 4.0628 4.0628 4.1014 4.1014 4.2634 4.2634 7.1709 7.1709 8.5452 8.5452 24.5017 24.5017 28.5229 28.5229 28.6700 28.6700 k = 0.0000 0.0000 0.0337 ( 1070 PWs) bands (ev): 0.7490 0.7490 2.5884 2.5884 3.2832 3.2832 3.4009 3.4009 3.4403 3.4403 3.7071 3.7071 3.7588 3.7588 3.9327 3.9327 4.0639 4.0639 4.1008 4.1008 4.2627 4.2627 7.0012 7.0012 8.7379 8.7379 24.2937 24.2937 28.5331 28.5331 28.7611 28.7611 k = 0.0000 0.0000 0.0421 ( 1064 PWs) bands (ev): 0.7624 0.7624 2.5869 2.5869 3.2834 3.2834 3.4009 3.4009 3.4400 3.4400 3.7066 3.7066 3.7580 3.7580 3.9347 3.9347 4.0653 4.0653 4.1001 4.1001 4.2618 4.2618 6.8279 6.8279 8.9407 8.9407 24.0525 24.0525 28.5463 28.5463 28.7746 28.7746 k = 0.0000 0.0000 0.0505 ( 1064 PWs) bands (ev): 0.7787 0.7787 2.5850 2.5850 3.2837 3.2837 3.4008 3.4008 3.4395 3.4395 3.7061 3.7061 3.7570 3.7570 3.9368 3.9368 4.0669 4.0669 4.0992 4.0992 4.2608 4.2608 6.6542 6.6542 9.1504 9.1504 23.7875 23.7875 28.5624 28.5624 28.7912 28.7912 k = 0.0000 0.0000 0.0589 ( 1064 PWs) bands (ev): 0.7980 0.7980 2.5827 2.5827 3.2842 3.2842 3.4008 3.4008 3.4390 3.4390 3.7055 3.7055 3.7558 3.7558 3.9394 3.9394 4.0688 4.0688 4.0980 4.0980 4.2595 4.2595 6.4819 6.4819 9.3655 9.3655 23.5054 23.5054 28.5813 28.5813 28.8106 28.8106 k = 0.0000 0.0000 0.0673 ( 1064 PWs) bands (ev): 0.8202 0.8202 2.5799 2.5799 3.2847 3.2847 3.4007 3.4007 3.4383 3.4383 3.7049 3.7049 3.7544 3.7544 3.9423 3.9423 4.0710 4.0710 4.0967 4.0967 4.2580 4.2580 6.3117 6.3117 9.5851 9.5851 23.2112 23.2112 28.6031 28.6031 28.8330 28.8330 k = 0.0000 0.0000 0.0758 ( 1064 PWs) bands (ev): 0.8452 0.8452 2.5766 2.5766 3.2854 3.2854 3.4007 3.4007 3.4376 3.4376 3.7042 3.7042 3.7529 3.7529 3.9454 3.9454 4.0734 4.0734 4.0952 4.0952 4.2564 4.2564 6.1443 6.1443 9.8088 9.8088 22.9084 22.9084 28.6277 28.6277 28.8584 28.8584 k = 0.0000 0.0000 0.0842 ( 1064 PWs) bands (ev): 0.8732 0.8732 2.5727 2.5727 3.2863 3.2863 3.4006 3.4006 3.4368 3.4368 3.7036 3.7036 3.7513 3.7513 3.9489 3.9489 4.0761 4.0761 4.0934 4.0934 4.2545 4.2545 5.9800 5.9800 10.0361 10.0361 22.5995 22.5995 28.6551 28.6551 28.8866 28.8866 k = 0.0000 0.0000 0.0926 ( 1064 PWs) bands (ev): 0.9039 0.9039 2.5680 2.5680 3.2874 3.2874 3.4006 3.4006 3.4359 3.4359 3.7029 3.7029 3.7494 3.7494 3.9527 3.9527 4.0791 4.0791 4.0914 4.0914 4.2525 4.2525 5.8193 5.8193 10.2669 10.2669 22.2865 22.2865 28.6853 28.6853 28.9176 28.9176 k = 0.0000 0.0000 0.1010 ( 1064 PWs) bands (ev): 0.9374 0.9374 2.5626 2.5626 3.2888 3.2888 3.4006 3.4006 3.4350 3.4350 3.7023 3.7023 3.7475 3.7475 3.9567 3.9567 4.0822 4.0822 4.0891 4.0891 4.2503 4.2503 5.6622 5.6622 10.5010 10.5010 21.9706 21.9706 28.7181 28.7181 28.9515 28.9515 k = 0.0000 0.0000 0.1094 ( 1052 PWs) bands (ev): 0.9737 0.9737 2.5564 2.5564 3.2906 3.2906 3.4006 3.4006 3.4340 3.4340 3.7017 3.7017 3.7455 3.7455 3.9610 3.9610 4.0857 4.0857 4.0866 4.0866 4.2481 4.2481 5.5092 5.5092 10.7383 10.7383 21.6530 21.6530 28.7536 28.7536 28.9881 28.9881 k = 0.0000 0.0000 0.1178 ( 1052 PWs) bands (ev): 1.0126 1.0126 2.5490 2.5490 3.2927 3.2927 3.4007 3.4007 3.4330 3.4330 3.7011 3.7011 3.7433 3.7433 3.9655 3.9655 4.0836 4.0836 4.0893 4.0893 4.2455 4.2455 5.3603 5.3603 10.9788 10.9788 21.3343 21.3343 28.7917 28.7917 29.0274 29.0274 k = 0.0000 0.0000 0.1263 ( 1052 PWs) bands (ev): 1.0541 1.0541 2.5405 2.5405 3.2952 3.2952 3.4007 3.4007 3.4319 3.4319 3.7006 3.7006 3.7411 3.7411 3.9701 3.9701 4.0801 4.0801 4.0931 4.0931 4.2428 4.2428 5.2160 5.2160 11.2223 11.2223 21.0153 21.0153 28.8324 28.8324 29.0693 29.0693 k = 0.0000 0.0000 0.1347 ( 1046 PWs) bands (ev): 1.0982 1.0982 2.5308 2.5308 3.2982 3.2982 3.4009 3.4009 3.4307 3.4307 3.7002 3.7002 3.7387 3.7387 3.9749 3.9749 4.0762 4.0762 4.0970 4.0970 4.2399 4.2399 5.0766 5.0766 11.4687 11.4687 20.6964 20.6964 28.8755 28.8755 29.1138 29.1138 k = 0.0000 0.0000 0.1431 ( 1046 PWs) bands (ev): 1.1447 1.1447 2.5194 2.5194 3.3018 3.3018 3.4010 3.4010 3.4295 3.4295 3.6999 3.6999 3.7363 3.7363 3.9799 3.9799 4.0716 4.0716 4.1012 4.1012 4.2368 4.2368 4.9422 4.9422 11.7182 11.7182 20.3779 20.3779 28.9210 28.9210 29.1608 29.1608 k = 0.0000 0.0000 0.1515 ( 1052 PWs) bands (ev): 1.1936 1.1936 2.5060 2.5060 3.3061 3.3061 3.4012 3.4012 3.4283 3.4283 3.6997 3.6997 3.7337 3.7337 3.9850 3.9850 4.0660 4.0660 4.1055 4.1055 4.2335 4.2335 4.8134 4.8134 11.9704 11.9704 20.0602 20.0602 28.9688 28.9688 29.2101 29.2101 k = 0.0000 0.0000 0.1599 ( 1040 PWs) bands (ev): 1.2447 1.2447 2.4909 2.4909 3.3113 3.3113 3.4016 3.4016 3.4271 3.4271 3.6996 3.6996 3.7311 3.7311 3.9903 3.9903 4.0595 4.0595 4.1100 4.1100 4.2303 4.2303 4.6910 4.6910 12.2256 12.2256 19.7436 19.7436 29.0188 29.0188 29.2617 29.2617 k = 0.0000 0.0000 0.1683 ( 1040 PWs) bands (ev): 1.2979 1.2979 2.4736 2.4736 3.3174 3.3174 3.4019 3.4019 3.4258 3.4258 3.6997 3.6997 3.7285 3.7285 3.9956 3.9956 4.0510 4.0510 4.1145 4.1145 4.2268 4.2268 4.5755 4.5755 12.4835 12.4835 19.4283 19.4283 29.0709 29.0709 29.3155 29.3155 k = 0.0000 0.0000 0.1768 ( 1040 PWs) bands (ev): 1.3531 1.3531 2.4538 2.4538 3.3245 3.3245 3.4023 3.4023 3.4245 3.4245 3.6998 3.6998 3.7257 3.7257 4.0010 4.0010 4.0398 4.0398 4.1192 4.1192 4.2230 4.2230 4.4683 4.4683 12.7443 12.7443 19.1143 19.1143 29.1248 29.1248 29.3713 29.3713 k = 0.0000 0.0000 0.1852 ( 1040 PWs) bands (ev): 1.4101 1.4101 2.4312 2.4312 3.3330 3.3330 3.4027 3.4027 3.4231 3.4231 3.7002 3.7002 3.7228 3.7228 4.0065 4.0065 4.0243 4.0243 4.1240 4.1240 4.2192 4.2192 4.3713 4.3713 13.0078 13.0078 18.8020 18.8020 29.1806 29.1806 29.4290 29.4290 k = 0.0000 0.0000 0.1936 ( 1052 PWs) bands (ev): 1.4686 1.4686 2.4056 2.4056 3.3427 3.3427 3.4032 3.4032 3.4215 3.4215 3.7006 3.7006 3.7194 3.7194 4.0019 4.0019 4.0121 4.0121 4.1288 4.1288 4.2151 4.2151 4.2875 4.2875 13.2740 13.2740 18.4913 18.4913 29.2379 29.2379 29.4882 29.4882 k = 0.0000 0.0000 0.2020 ( 1058 PWs) bands (ev): 1.5286 1.5286 2.3767 2.3767 3.3542 3.3542 3.4037 3.4037 3.4202 3.4202 3.7012 3.7012 3.7160 3.7160 3.9692 3.9692 4.0177 4.0177 4.1337 4.1337 4.2108 4.2108 4.2206 4.2206 13.5429 13.5429 18.1825 18.1825 29.2966 29.2966 29.5490 29.5490 k = 0.0000 0.0000 0.2104 ( 1058 PWs) bands (ev): 1.5896 1.5896 2.3444 2.3444 3.3677 3.3677 3.4044 3.4044 3.4189 3.4189 3.7020 3.7020 3.7120 3.7120 3.9249 3.9249 4.0234 4.0234 4.1387 4.1387 4.1724 4.1724 4.2066 4.2066 13.8144 13.8144 17.8756 17.8756 29.3566 29.3566 29.6110 29.6110 k = 0.0000 0.0000 0.2188 ( 1064 PWs) bands (ev): 1.6514 1.6514 2.3084 2.3084 3.3833 3.3833 3.4050 3.4050 3.4175 3.4175 3.7030 3.7030 3.7070 3.7070 3.8724 3.8724 4.0290 4.0290 4.1403 4.1403 4.1436 4.1436 4.2022 4.2022 14.0886 14.0886 17.5707 17.5707 29.4175 29.4175 29.6739 29.6739 k = 0.0000 0.0000 0.2273 ( 1064 PWs) bands (ev): 1.7137 1.7137 2.2686 2.2686 3.4014 3.4014 3.4058 3.4058 3.4163 3.4163 3.6995 3.6995 3.7042 3.7042 3.8185 3.8185 4.0349 4.0349 4.1188 4.1188 4.1486 4.1486 4.1977 4.1977 14.3653 14.3653 17.2678 17.2678 29.4790 29.4790 29.7374 29.7374 k = 0.0000 0.0000 0.2357 ( 1064 PWs) bands (ev): 1.7761 1.7761 2.2252 2.2252 3.4066 3.4066 3.4150 3.4150 3.4223 3.4223 3.6856 3.6856 3.7056 3.7056 3.7718 3.7718 4.0409 4.0409 4.1036 4.1036 4.1537 4.1537 4.1931 4.1931 14.6446 14.6446 16.9671 16.9671 29.5409 29.5409 29.8012 29.8012 k = 0.0000 0.0000 0.2441 ( 1052 PWs) bands (ev): 1.8383 1.8383 2.1781 2.1781 3.4076 3.4076 3.4140 3.4140 3.4464 3.4464 3.6584 3.6584 3.7074 3.7074 3.7416 3.7416 4.0471 4.0471 4.0920 4.0920 4.1588 4.1588 4.1884 4.1884 14.9265 14.9265 16.6687 16.6687 29.6027 29.6027 29.8648 29.8648 k = 0.0000 0.0000 0.2525 ( 1052 PWs) bands (ev): 1.8996 1.8996 2.1277 2.1277 3.4085 3.4085 3.4128 3.4128 3.4740 3.4740 3.6198 3.6198 3.7095 3.7095 3.7271 3.7271 4.0533 4.0533 4.0824 4.0824 4.1639 4.1639 4.1836 4.1836 15.2108 15.2108 16.3724 16.3724 29.6641 29.6641 29.8961 29.8961 k = 0.0000 0.0000 0.2609 ( 1052 PWs) bands (ev): 1.9597 1.9597 2.0742 2.0742 3.4095 3.4095 3.4116 3.4116 3.5052 3.5052 3.5790 3.5790 3.7120 3.7120 3.7197 3.7197 4.0599 4.0599 4.0742 4.0742 4.1689 4.1689 4.1788 4.1788 15.4976 15.4976 16.0785 16.0785 29.7246 29.7246 29.8411 29.8411 k = 0.0000 0.0000 0.2693 ( 1052 PWs) bands (ev): 2.0180 2.0180 2.0180 2.0180 3.4105 3.4105 3.4105 3.4105 3.5403 3.5403 3.5403 3.5403 3.7152 3.7152 3.7152 3.7152 4.0667 4.0667 4.0667 4.0667 4.1738 4.1738 4.1738 4.1738 15.7869 15.7869 15.7869 15.7869 29.7838 29.7838 29.7838 29.7838 k = 0.0000 0.0000 0.2693 ( 1052 PWs) bands (ev): 2.0180 2.0180 2.0180 2.0180 3.4105 3.4105 3.4105 3.4105 3.5403 3.5403 3.5403 3.5403 3.7152 3.7152 3.7152 3.7152 4.0667 4.0667 4.0667 4.0667 4.1738 4.1738 4.1738 4.1738 15.7869 15.7869 15.7869 15.7869 29.7838 29.7838 29.7838 29.7838 k = 0.0072 0.0042 0.2693 ( 1052 PWs) bands (ev): 2.0194 2.0194 2.0194 2.0194 3.4106 3.4106 3.4106 3.4106 3.5400 3.5400 3.5400 3.5400 3.7153 3.7153 3.7153 3.7153 4.0669 4.0669 4.0669 4.0669 4.1742 4.1742 4.1742 4.1742 15.7883 15.7883 15.7883 15.7883 29.7617 29.7617 29.7617 29.7617 k = 0.0145 0.0084 0.2693 ( 1056 PWs) bands (ev): 2.0234 2.0234 2.0234 2.0234 3.4106 3.4106 3.4106 3.4106 3.5390 3.5390 3.5390 3.5390 3.7156 3.7156 3.7156 3.7156 4.0673 4.0673 4.0673 4.0673 4.1751 4.1751 4.1751 4.1751 15.7927 15.7927 15.7927 15.7927 29.6925 29.6925 29.6925 29.6925 k = 0.0217 0.0126 0.2693 ( 1052 PWs) bands (ev): 2.0302 2.0302 2.0302 2.0302 3.4106 3.4106 3.4106 3.4106 3.5375 3.5375 3.5375 3.5375 3.7162 3.7162 3.7162 3.7162 4.0681 4.0681 4.0681 4.0681 4.1767 4.1767 4.1767 4.1767 15.8001 15.8001 15.8001 15.8001 29.5682 29.5682 29.5682 29.5682 k = 0.0290 0.0167 0.2693 ( 1052 PWs) bands (ev): 2.0397 2.0397 2.0397 2.0397 3.4106 3.4106 3.4106 3.4106 3.5353 3.5353 3.5353 3.5353 3.7170 3.7170 3.7170 3.7170 4.0691 4.0691 4.0691 4.0691 4.1791 4.1791 4.1791 4.1791 15.8103 15.8103 15.8103 15.8103 29.3830 29.3830 29.3830 29.3830 k = 0.0362 0.0209 0.2693 ( 1048 PWs) bands (ev): 2.0518 2.0518 2.0518 2.0518 3.4106 3.4106 3.4106 3.4106 3.5326 3.5326 3.5326 3.5326 3.7181 3.7181 3.7181 3.7181 4.0703 4.0703 4.0703 4.0703 4.1822 4.1822 4.1822 4.1822 15.8235 15.8235 15.8235 15.8235 29.1450 29.1450 29.1450 29.1450 k = 0.0435 0.0251 0.2693 ( 1048 PWs) bands (ev): 2.0665 2.0665 2.0665 2.0665 3.4105 3.4105 3.4105 3.4105 3.5295 3.5295 3.5295 3.5295 3.7194 3.7194 3.7194 3.7194 4.0716 4.0716 4.0716 4.0716 4.1861 4.1861 4.1861 4.1861 15.8396 15.8396 15.8396 15.8396 28.8698 28.8698 28.8698 28.8698 k = 0.0507 0.0293 0.2693 ( 1048 PWs) bands (ev): 2.0838 2.0838 2.0838 2.0838 3.4101 3.4101 3.4101 3.4101 3.5260 3.5260 3.5260 3.5260 3.7209 3.7209 3.7209 3.7209 4.0730 4.0730 4.0730 4.0730 4.1909 4.1909 4.1909 4.1909 15.8586 15.8586 15.8586 15.8586 28.5707 28.5707 28.5707 28.5707 k = 0.0580 0.0335 0.2693 ( 1046 PWs) bands (ev): 2.1037 2.1037 2.1037 2.1037 3.4095 3.4095 3.4095 3.4095 3.5223 3.5223 3.5223 3.5223 3.7227 3.7227 3.7227 3.7227 4.0744 4.0744 4.0744 4.0744 4.1967 4.1967 4.1967 4.1967 15.8805 15.8805 15.8805 15.8805 28.2562 28.2562 28.2562 28.2562 k = 0.0652 0.0377 0.2693 ( 1042 PWs) bands (ev): 2.1261 2.1261 2.1261 2.1261 3.4086 3.4086 3.4086 3.4086 3.5185 3.5185 3.5185 3.5185 3.7250 3.7250 3.7250 3.7250 4.0756 4.0756 4.0756 4.0756 4.2034 4.2034 4.2034 4.2034 15.9053 15.9053 15.9053 15.9053 27.9320 27.9320 27.9320 27.9320 k = 0.0725 0.0418 0.2693 ( 1038 PWs) bands (ev): 2.1509 2.1509 2.1509 2.1509 3.4073 3.4073 3.4073 3.4073 3.5146 3.5146 3.5146 3.5146 3.7275 3.7275 3.7275 3.7275 4.0768 4.0768 4.0768 4.0768 4.2113 4.2113 4.2113 4.2113 15.9331 15.9331 15.9331 15.9331 27.6012 27.6012 27.6012 27.6012 k = 0.0797 0.0460 0.2693 ( 1038 PWs) bands (ev): 2.1781 2.1781 2.1781 2.1781 3.4054 3.4054 3.4054 3.4054 3.5109 3.5109 3.5109 3.5109 3.7304 3.7304 3.7304 3.7304 4.0778 4.0778 4.0778 4.0778 4.2201 4.2201 4.2201 4.2201 15.9636 15.9636 15.9636 15.9636 27.2662 27.2662 27.2662 27.2662 k = 0.0870 0.0502 0.2693 ( 1046 PWs) bands (ev): 2.2075 2.2075 2.2075 2.2075 3.4029 3.4029 3.4029 3.4029 3.5073 3.5073 3.5073 3.5073 3.7337 3.7337 3.7337 3.7337 4.0785 4.0785 4.0785 4.0785 4.2301 4.2301 4.2301 4.2301 15.9971 15.9971 15.9971 15.9971 26.9284 26.9284 26.9284 26.9285 k = 0.0942 0.0544 0.2693 ( 1046 PWs) bands (ev): 2.2391 2.2391 2.2391 2.2391 3.3999 3.3999 3.3999 3.3999 3.5040 3.5040 3.5040 3.5040 3.7375 3.7375 3.7375 3.7375 4.0791 4.0791 4.0791 4.0791 4.2411 4.2411 4.2411 4.2411 16.0334 16.0334 16.0334 16.0334 26.5893 26.5893 26.5893 26.5893 k = 0.1014 0.0586 0.2693 ( 1046 PWs) bands (ev): 2.2727 2.2727 2.2727 2.2727 3.3962 3.3962 3.3962 3.3962 3.5012 3.5012 3.5012 3.5012 3.7418 3.7418 3.7418 3.7418 4.0795 4.0795 4.0795 4.0795 4.2534 4.2534 4.2534 4.2534 16.0726 16.0726 16.0726 16.0726 26.2494 26.2494 26.2494 26.2494 k = 0.1087 0.0628 0.2693 ( 1046 PWs) bands (ev): 2.3083 2.3083 2.3083 2.3083 3.3918 3.3918 3.3918 3.3918 3.4988 3.4988 3.4988 3.4988 3.7466 3.7466 3.7466 3.7466 4.0798 4.0798 4.0798 4.0798 4.2670 4.2670 4.2670 4.2670 16.1145 16.1145 16.1145 16.1145 25.9093 25.9093 25.9093 25.9093 k = 0.1159 0.0669 0.2693 ( 1042 PWs) bands (ev): 2.3456 2.3456 2.3456 2.3456 3.3867 3.3867 3.3867 3.3867 3.4971 3.4971 3.4971 3.4971 3.7520 3.7520 3.7520 3.7520 4.0800 4.0800 4.0800 4.0800 4.2817 4.2817 4.2817 4.2817 16.1593 16.1593 16.1593 16.1593 25.5697 25.5697 25.5697 25.5697 k = 0.1232 0.0711 0.2693 ( 1042 PWs) bands (ev): 2.3844 2.3844 2.3844 2.3844 3.3811 3.3811 3.3811 3.3811 3.4959 3.4959 3.4959 3.4959 3.7579 3.7579 3.7579 3.7579 4.0800 4.0800 4.0800 4.0800 4.2978 4.2978 4.2978 4.2978 16.2069 16.2069 16.2069 16.2069 25.2307 25.2307 25.2307 25.2307 k = 0.1304 0.0753 0.2693 ( 1048 PWs) bands (ev): 2.4246 2.4246 2.4246 2.4246 3.3748 3.3748 3.3748 3.3748 3.4953 3.4953 3.4953 3.4953 3.7643 3.7643 3.7643 3.7643 4.0799 4.0799 4.0799 4.0799 4.3152 4.3152 4.3152 4.3152 16.2572 16.2572 16.2572 16.2572 24.8928 24.8928 24.8928 24.8928 k = 0.1377 0.0795 0.2693 ( 1052 PWs) bands (ev): 2.4658 2.4658 2.4658 2.4658 3.3682 3.3682 3.3682 3.3682 3.4954 3.4954 3.4954 3.4954 3.7712 3.7712 3.7712 3.7712 4.0798 4.0798 4.0798 4.0798 4.3340 4.3340 4.3340 4.3340 16.3102 16.3102 16.3102 16.3102 24.5561 24.5561 24.5561 24.5561 k = 0.1449 0.0837 0.2693 ( 1052 PWs) bands (ev): 2.5078 2.5078 2.5078 2.5078 3.3612 3.3612 3.3612 3.3612 3.4963 3.4963 3.4963 3.4963 3.7788 3.7788 3.7788 3.7788 4.0796 4.0796 4.0796 4.0796 4.3544 4.3544 4.3544 4.3544 16.3659 16.3659 16.3659 16.3659 24.2210 24.2210 24.2210 24.2210 k = 0.1522 0.0879 0.2693 ( 1046 PWs) bands (ev): 2.5502 2.5502 2.5502 2.5502 3.3540 3.3540 3.3540 3.3540 3.4982 3.4982 3.4982 3.4982 3.7869 3.7869 3.7869 3.7869 4.0796 4.0796 4.0796 4.0796 4.3766 4.3766 4.3766 4.3766 16.4243 16.4243 16.4243 16.4243 23.8876 23.8876 23.8876 23.8876 k = 0.1594 0.0920 0.2693 ( 1046 PWs) bands (ev): 2.5926 2.5926 2.5926 2.5926 3.3466 3.3466 3.3466 3.3466 3.5012 3.5012 3.5012 3.5012 3.7955 3.7955 3.7955 3.7955 4.0795 4.0795 4.0795 4.0795 4.4005 4.4005 4.4005 4.4005 16.4853 16.4853 16.4853 16.4853 23.5559 23.5559 23.5559 23.5559 k = 0.1667 0.0962 0.2693 ( 1046 PWs) bands (ev): 2.6347 2.6347 2.6347 2.6347 3.3391 3.3391 3.3391 3.3391 3.5053 3.5053 3.5053 3.5053 3.8044 3.8044 3.8044 3.8044 4.0796 4.0796 4.0796 4.0796 4.4264 4.4264 4.4264 4.4264 16.5489 16.5489 16.5489 16.5489 23.2262 23.2262 23.2262 23.2262 k = 0.1739 0.1004 0.2693 ( 1038 PWs) bands (ev): 2.6758 2.6758 2.6758 2.6758 3.3317 3.3317 3.3317 3.3317 3.5110 3.5110 3.5110 3.5110 3.8139 3.8139 3.8139 3.8139 4.0799 4.0799 4.0799 4.0799 4.4545 4.4545 4.4545 4.4545 16.6150 16.6150 16.6150 16.6150 22.8986 22.8986 22.8986 22.8986 k = 0.1812 0.1046 0.2693 ( 1038 PWs) bands (ev): 2.7154 2.7154 2.7154 2.7154 3.3242 3.3242 3.3242 3.3242 3.5184 3.5184 3.5184 3.5184 3.8235 3.8235 3.8235 3.8235 4.0803 4.0803 4.0803 4.0803 4.4850 4.4850 4.4850 4.4850 16.6834 16.6834 16.6834 16.6834 22.5733 22.5733 22.5733 22.5733 k = 0.1884 0.1088 0.2693 ( 1038 PWs) bands (ev): 2.7530 2.7530 2.7530 2.7530 3.3168 3.3168 3.3168 3.3168 3.5278 3.5278 3.5278 3.5278 3.8334 3.8334 3.8334 3.8334 4.0811 4.0811 4.0811 4.0811 4.5182 4.5182 4.5182 4.5182 16.7542 16.7542 16.7542 16.7542 22.2504 22.2504 22.2504 22.2504 k = 0.1957 0.1130 0.2693 ( 1038 PWs) bands (ev): 2.7880 2.7880 2.7880 2.7880 3.3096 3.3096 3.3096 3.3096 3.5394 3.5394 3.5394 3.5394 3.8434 3.8434 3.8434 3.8434 4.0822 4.0822 4.0822 4.0822 4.5545 4.5545 4.5545 4.5545 16.8272 16.8272 16.8272 16.8272 21.9302 21.9302 21.9302 21.9302 k = 0.2029 0.1171 0.2693 ( 1038 PWs) bands (ev): 2.8200 2.8200 2.8200 2.8200 3.3025 3.3025 3.3025 3.3025 3.5534 3.5534 3.5534 3.5534 3.8534 3.8534 3.8534 3.8534 4.0837 4.0837 4.0837 4.0837 4.5939 4.5939 4.5939 4.5939 16.9022 16.9022 16.9022 16.9022 21.6127 21.6127 21.6127 21.6127 k = 0.2101 0.1213 0.2693 ( 1038 PWs) bands (ev): 2.8485 2.8485 2.8485 2.8485 3.2956 3.2956 3.2956 3.2956 3.5700 3.5700 3.5700 3.5700 3.8634 3.8634 3.8634 3.8634 4.0858 4.0858 4.0858 4.0858 4.6371 4.6371 4.6371 4.6371 16.9790 16.9790 16.9790 16.9790 21.2984 21.2984 21.2984 21.2984 k = 0.2174 0.1255 0.2693 ( 1038 PWs) bands (ev): 2.8731 2.8731 2.8731 2.8731 3.2888 3.2888 3.2888 3.2888 3.5890 3.5890 3.5890 3.5890 3.8731 3.8731 3.8731 3.8731 4.0884 4.0884 4.0884 4.0884 4.6842 4.6842 4.6842 4.6842 17.0573 17.0573 17.0573 17.0573 20.9874 20.9874 20.9874 20.9874 k = 0.2246 0.1297 0.2693 ( 1038 PWs) bands (ev): 2.8939 2.8939 2.8939 2.8939 3.2822 3.2822 3.2822 3.2822 3.6104 3.6104 3.6104 3.6104 3.8825 3.8825 3.8825 3.8825 4.0918 4.0918 4.0918 4.0918 4.7355 4.7355 4.7355 4.7355 17.1368 17.1368 17.1368 17.1368 20.6802 20.6802 20.6802 20.6802 k = 0.2319 0.1339 0.2693 ( 1038 PWs) bands (ev): 2.9108 2.9108 2.9108 2.9108 3.2756 3.2756 3.2756 3.2756 3.6338 3.6338 3.6338 3.6338 3.8915 3.8915 3.8915 3.8915 4.0959 4.0959 4.0959 4.0959 4.7915 4.7915 4.7915 4.7915 17.2167 17.2167 17.2167 17.2167 20.3775 20.3775 20.3775 20.3775 k = 0.2391 0.1381 0.2693 ( 1050 PWs) bands (ev): 2.9239 2.9239 2.9239 2.9239 3.2691 3.2691 3.2691 3.2691 3.6587 3.6587 3.6587 3.6587 3.8999 3.8999 3.8999 3.8999 4.1007 4.1007 4.1007 4.1007 4.8524 4.8524 4.8524 4.8524 17.2962 17.2962 17.2962 17.2962 20.0801 20.0801 20.0801 20.0801 k = 0.2464 0.1422 0.2693 ( 1050 PWs) bands (ev): 2.9338 2.9338 2.9338 2.9338 3.2626 3.2626 3.2626 3.2626 3.6848 3.6848 3.6848 3.6848 3.9078 3.9078 3.9078 3.9078 4.1066 4.1066 4.1066 4.1066 4.9185 4.9185 4.9185 4.9185 17.3739 17.3739 17.3739 17.3739 19.7895 19.7895 19.7895 19.7895 k = 0.2536 0.1464 0.2693 ( 1050 PWs) bands (ev): 2.9406 2.9406 2.9406 2.9406 3.2563 3.2563 3.2563 3.2563 3.7114 3.7114 3.7114 3.7114 3.9150 3.9150 3.9150 3.9150 4.1133 4.1133 4.1133 4.1133 4.9899 4.9899 4.9899 4.9899 17.4474 17.4474 17.4474 17.4474 19.5082 19.5082 19.5082 19.5082 k = 0.2609 0.1506 0.2693 ( 1046 PWs) bands (ev): 2.9448 2.9448 2.9448 2.9448 3.2499 3.2499 3.2499 3.2499 3.7381 3.7381 3.7381 3.7381 3.9216 3.9216 3.9216 3.9216 4.1210 4.1210 4.1210 4.1210 5.0668 5.0668 5.0668 5.0668 17.5123 17.5123 17.5123 17.5123 19.2405 19.2405 19.2405 19.2405 k = 0.2681 0.1548 0.2693 ( 1050 PWs) bands (ev): 2.9468 2.9468 2.9468 2.9468 3.2435 3.2435 3.2435 3.2435 3.7642 3.7642 3.7642 3.7642 3.9276 3.9276 3.9276 3.9276 4.1294 4.1294 4.1294 4.1294 5.1492 5.1492 5.1492 5.1492 17.5610 17.5610 17.5610 17.5610 18.9939 18.9939 18.9939 18.9939 k = 0.2754 0.1590 0.2693 ( 1054 PWs) bands (ev): 2.9468 2.9468 2.9468 2.9468 3.2371 3.2371 3.2371 3.2371 3.7894 3.7894 3.7894 3.7894 3.9331 3.9331 3.9331 3.9331 4.1387 4.1387 4.1387 4.1387 5.2371 5.2371 5.2371 5.2371 17.5794 17.5794 17.5794 17.5794 18.7826 18.7826 18.7826 18.7826 k = 0.2826 0.1632 0.2693 ( 1046 PWs) bands (ev): 2.9455 2.9455 2.9455 2.9455 3.2307 3.2307 3.2307 3.2307 3.8134 3.8134 3.8134 3.8134 3.9385 3.9385 3.9385 3.9385 4.1487 4.1487 4.1487 4.1487 5.3305 5.3305 5.3305 5.3305 17.5463 17.5463 17.5463 17.5463 18.6278 18.6278 18.6278 18.6278 k = 0.2899 0.1673 0.2693 ( 1046 PWs) bands (ev): 2.9426 2.9426 2.9426 2.9426 3.2244 3.2244 3.2244 3.2244 3.8357 3.8357 3.8357 3.8357 3.9439 3.9439 3.9439 3.9439 4.1594 4.1594 4.1594 4.1594 5.4293 5.4293 5.4293 5.4293 17.4437 17.4437 17.4437 17.4437 18.5474 18.5474 18.5474 18.5474 k = 0.2971 0.1715 0.2693 ( 1046 PWs) bands (ev): 2.9389 2.9389 2.9389 2.9389 3.2180 3.2180 3.2180 3.2180 3.8557 3.8557 3.8557 3.8557 3.9497 3.9497 3.9497 3.9497 4.1705 4.1705 4.1705 4.1705 5.5334 5.5334 5.5334 5.5334 17.2754 17.2754 17.2754 17.2754 18.5377 18.5377 18.5377 18.5377 k = 0.3043 0.1757 0.2693 ( 1046 PWs) bands (ev): 2.9342 2.9342 2.9342 2.9342 3.2117 3.2117 3.2117 3.2117 3.8731 3.8731 3.8731 3.8731 3.9564 3.9564 3.9564 3.9564 4.1820 4.1820 4.1820 4.1820 5.6425 5.6425 5.6425 5.6425 17.0628 17.0628 17.0628 17.0628 18.5772 18.5772 18.5772 18.5772 k = 0.3116 0.1799 0.2693 ( 1046 PWs) bands (ev): 2.9290 2.9290 2.9290 2.9290 3.2054 3.2054 3.2054 3.2054 3.8874 3.8874 3.8874 3.8874 3.9647 3.9647 3.9647 3.9647 4.1938 4.1938 4.1938 4.1938 5.7565 5.7565 5.7565 5.7565 16.8253 16.8253 16.8253 16.8253 18.6466 18.6466 18.6466 18.6466 k = 0.3188 0.1841 0.2693 ( 1046 PWs) bands (ev): 2.9232 2.9232 2.9232 2.9232 3.1992 3.1992 3.1992 3.1992 3.8982 3.8982 3.8982 3.8982 3.9747 3.9747 3.9747 3.9747 4.2058 4.2058 4.2058 4.2058 5.8753 5.8753 5.8753 5.8753 16.5746 16.5746 16.5746 16.5746 18.7339 18.7339 18.7339 18.7339 k = 0.3261 0.1883 0.2693 ( 1046 PWs) bands (ev): 2.9171 2.9171 2.9171 2.9171 3.1930 3.1930 3.1930 3.1930 3.9059 3.9059 3.9059 3.9059 3.9864 3.9864 3.9864 3.9864 4.2179 4.2179 4.2179 4.2179 5.9985 5.9985 5.9985 5.9985 16.3172 16.3172 16.3172 16.3172 18.8328 18.8328 18.8328 18.8328 k = 0.3333 0.1925 0.2693 ( 1046 PWs) bands (ev): 2.9107 2.9107 2.9107 2.9107 3.1870 3.1870 3.1870 3.1870 3.9112 3.9112 3.9112 3.9112 3.9991 3.9991 3.9991 3.9991 4.2300 4.2300 4.2300 4.2300 6.1261 6.1261 6.1261 6.1261 16.0567 16.0567 16.0567 16.0567 18.9395 18.9395 18.9395 18.9395 k = 0.3406 0.1966 0.2693 ( 1046 PWs) bands (ev): 2.9041 2.9041 2.9041 2.9041 3.1812 3.1812 3.1812 3.1812 3.9147 3.9147 3.9147 3.9147 4.0123 4.0123 4.0123 4.0123 4.2420 4.2420 4.2420 4.2420 6.2579 6.2579 6.2579 6.2579 15.7953 15.7953 15.7953 15.7953 19.0520 19.0520 19.0520 19.0520 k = 0.3478 0.2008 0.2693 ( 1042 PWs) bands (ev): 2.8975 2.8975 2.8975 2.8975 3.1754 3.1754 3.1754 3.1754 3.9169 3.9169 3.9169 3.9169 4.0255 4.0255 4.0255 4.0255 4.2539 4.2539 4.2539 4.2539 6.3935 6.3935 6.3935 6.3935 15.5342 15.5342 15.5342 15.5342 19.1688 19.1688 19.1688 19.1688 k = 0.3551 0.2050 0.2693 ( 1040 PWs) bands (ev): 2.8908 2.8908 2.8908 2.8908 3.1699 3.1699 3.1699 3.1699 3.9183 3.9183 3.9183 3.9183 4.0384 4.0384 4.0384 4.0384 4.2656 4.2656 4.2656 4.2656 6.5330 6.5330 6.5330 6.5330 15.2742 15.2742 15.2742 15.2742 19.2890 19.2890 19.2890 19.2890 k = 0.3623 0.2092 0.2693 ( 1042 PWs) bands (ev): 2.8842 2.8842 2.8842 2.8842 3.1645 3.1645 3.1645 3.1645 3.9190 3.9190 3.9190 3.9190 4.0508 4.0508 4.0508 4.0508 4.2771 4.2771 4.2771 4.2771 6.6760 6.6760 6.6760 6.6760 15.0159 15.0159 15.0159 15.0159 19.4120 19.4120 19.4120 19.4120 k = 0.3696 0.2134 0.2693 ( 1046 PWs) bands (ev): 2.8776 2.8776 2.8776 2.8776 3.1592 3.1592 3.1592 3.1592 3.9194 3.9194 3.9194 3.9194 4.0626 4.0626 4.0626 4.0626 4.2882 4.2882 4.2882 4.2882 6.8224 6.8224 6.8224 6.8224 14.7599 14.7599 14.7599 14.7599 19.5372 19.5372 19.5372 19.5372 k = 0.3768 0.2176 0.2693 ( 1046 PWs) bands (ev): 2.8712 2.8712 2.8712 2.8712 3.1543 3.1543 3.1543 3.1543 3.9194 3.9194 3.9194 3.9194 4.0737 4.0737 4.0737 4.0737 4.2991 4.2991 4.2991 4.2991 6.9719 6.9719 6.9719 6.9719 14.5064 14.5064 14.5064 14.5064 19.6641 19.6641 19.6641 19.6641 k = 0.3841 0.2217 0.2693 ( 1046 PWs) bands (ev): 2.8650 2.8650 2.8650 2.8650 3.1495 3.1495 3.1495 3.1495 3.9192 3.9192 3.9192 3.9192 4.0842 4.0842 4.0842 4.0842 4.3095 4.3095 4.3095 4.3095 7.1243 7.1243 7.1243 7.1243 14.2559 14.2559 14.2559 14.2559 19.7923 19.7923 19.7923 19.7923 k = 0.3913 0.2259 0.2693 ( 1046 PWs) bands (ev): 2.8590 2.8590 2.8590 2.8590 3.1449 3.1449 3.1449 3.1449 3.9189 3.9189 3.9189 3.9189 4.0940 4.0940 4.0940 4.0940 4.3196 4.3196 4.3196 4.3196 7.2795 7.2795 7.2795 7.2795 14.0085 14.0085 14.0085 14.0085 19.9212 19.9212 19.9212 19.9212 k = 0.3986 0.2301 0.2693 ( 1044 PWs) bands (ev): 2.8533 2.8533 2.8533 2.8533 3.1407 3.1407 3.1407 3.1407 3.9185 3.9185 3.9185 3.9185 4.1031 4.1031 4.1031 4.1031 4.3292 4.3292 4.3292 4.3292 7.4371 7.4371 7.4371 7.4371 13.7646 13.7646 13.7646 13.7646 20.0504 20.0504 20.0504 20.0504 k = 0.4058 0.2343 0.2693 ( 1048 PWs) bands (ev): 2.8478 2.8478 2.8478 2.8478 3.1366 3.1366 3.1366 3.1366 3.9179 3.9179 3.9179 3.9179 4.1114 4.1114 4.1114 4.1114 4.3382 4.3382 4.3382 4.3382 7.5967 7.5967 7.5967 7.5967 13.5246 13.5246 13.5246 13.5246 20.1793 20.1793 20.1793 20.1793 k = 0.4130 0.2385 0.2693 ( 1050 PWs) bands (ev): 2.8426 2.8426 2.8426 2.8426 3.1328 3.1328 3.1328 3.1328 3.9174 3.9174 3.9174 3.9174 4.1191 4.1191 4.1191 4.1191 4.3468 4.3468 4.3468 4.3468 7.7580 7.7580 7.7580 7.7580 13.2889 13.2889 13.2889 13.2889 20.3072 20.3072 20.3072 20.3072 k = 0.4203 0.2427 0.2693 ( 1050 PWs) bands (ev): 2.8378 2.8378 2.8378 2.8378 3.1293 3.1293 3.1293 3.1293 3.9168 3.9168 3.9168 3.9168 4.1262 4.1262 4.1262 4.1262 4.3548 4.3548 4.3548 4.3548 7.9206 7.9206 7.9206 7.9206 13.0580 13.0580 13.0580 13.0580 20.4335 20.4335 20.4335 20.4335 k = 0.4275 0.2468 0.2693 ( 1048 PWs) bands (ev): 2.8333 2.8333 2.8333 2.8333 3.1261 3.1261 3.1261 3.1261 3.9163 3.9163 3.9163 3.9163 4.1326 4.1326 4.1326 4.1326 4.3622 4.3622 4.3622 4.3622 8.0837 8.0837 8.0837 8.0837 12.8324 12.8324 12.8324 12.8324 20.5572 20.5572 20.5572 20.5572 k = 0.4348 0.2510 0.2693 ( 1044 PWs) bands (ev): 2.8292 2.8292 2.8292 2.8292 3.1233 3.1233 3.1233 3.1233 3.9157 3.9157 3.9157 3.9157 4.1383 4.1383 4.1383 4.1383 4.3690 4.3690 4.3690 4.3690 8.2466 8.2466 8.2466 8.2466 12.6131 12.6131 12.6131 12.6131 20.6773 20.6773 20.6773 20.6773 k = 0.4420 0.2552 0.2693 ( 1044 PWs) bands (ev): 2.8255 2.8255 2.8255 2.8255 3.1206 3.1206 3.1206 3.1206 3.9152 3.9152 3.9152 3.9152 4.1435 4.1435 4.1435 4.1435 4.3751 4.3751 4.3751 4.3751 8.4081 8.4081 8.4081 8.4081 12.4010 12.4010 12.4010 12.4010 20.7926 20.7926 20.7926 20.7926 k = 0.4493 0.2594 0.2693 ( 1048 PWs) bands (ev): 2.8222 2.8222 2.8222 2.8222 3.1182 3.1182 3.1182 3.1182 3.9147 3.9147 3.9147 3.9147 4.1479 4.1479 4.1479 4.1479 4.3805 4.3805 4.3805 4.3805 8.5669 8.5669 8.5669 8.5669 12.1976 12.1976 12.1976 12.1976 20.9014 20.9014 20.9014 20.9014 k = 0.4565 0.2636 0.2693 ( 1048 PWs) bands (ev): 2.8193 2.8193 2.8193 2.8193 3.1162 3.1162 3.1162 3.1162 3.9143 3.9143 3.9143 3.9143 4.1518 4.1518 4.1518 4.1518 4.3853 4.3853 4.3853 4.3853 8.7209 8.7209 8.7209 8.7209 12.0051 12.0051 12.0051 12.0051 21.0023 21.0023 21.0023 21.0023 k = 0.4638 0.2678 0.2693 ( 1048 PWs) bands (ev): 2.8169 2.8169 2.8169 2.8169 3.1144 3.1144 3.1144 3.1144 3.9139 3.9139 3.9139 3.9139 4.1551 4.1551 4.1551 4.1551 4.3894 4.3894 4.3894 4.3894 8.8672 8.8672 8.8672 8.8672 11.8261 11.8261 11.8261 11.8261 21.0931 21.0931 21.0931 21.0931 k = 0.4710 0.2719 0.2693 ( 1044 PWs) bands (ev): 2.8148 2.8148 2.8148 2.8148 3.1131 3.1131 3.1131 3.1131 3.9136 3.9136 3.9136 3.9136 4.1577 4.1577 4.1577 4.1577 4.3928 4.3928 4.3928 4.3928 9.0017 9.0017 9.0017 9.0017 11.6649 11.6649 11.6649 11.6649 21.1719 21.1719 21.1719 21.1719 k = 0.4783 0.2761 0.2693 ( 1044 PWs) bands (ev): 2.8132 2.8132 2.8132 2.8132 3.1119 3.1119 3.1119 3.1119 3.9134 3.9134 3.9134 3.9134 4.1598 4.1598 4.1598 4.1598 4.3954 4.3954 4.3954 4.3954 9.1189 9.1189 9.1189 9.1189 11.5270 11.5270 11.5270 11.5270 21.2362 21.2362 21.2362 21.2362 k = 0.4855 0.2803 0.2693 ( 1050 PWs) bands (ev): 2.8120 2.8120 2.8120 2.8120 3.1111 3.1111 3.1111 3.1111 3.9132 3.9132 3.9132 3.9132 4.1612 4.1612 4.1612 4.1612 4.3972 4.3972 4.3972 4.3972 9.2117 9.2117 9.2117 9.2117 11.4193 11.4193 11.4193 11.4193 21.2840 21.2840 21.2840 21.2840 k = 0.4928 0.2845 0.2693 ( 1050 PWs) bands (ev): 2.8113 2.8113 2.8113 2.8113 3.1106 3.1106 3.1106 3.1106 3.9131 3.9131 3.9131 3.9131 4.1621 4.1621 4.1621 4.1621 4.3984 4.3984 4.3984 4.3984 9.2720 9.2720 9.2720 9.2720 11.3501 11.3501 11.3501 11.3501 21.3136 21.3136 21.3136 21.3136 k = 0.5000 0.2887 0.2693 ( 1048 PWs) bands (ev): 2.8112 2.8112 2.8112 2.8112 3.1105 3.1105 3.1105 3.1105 3.9130 3.9130 3.9130 3.9130 4.1624 4.1624 4.1624 4.1624 4.3987 4.3987 4.3987 4.3987 9.2930 9.2930 9.2930 9.2930 11.3261 11.3261 11.3261 11.3261 21.3236 21.3236 21.3236 21.3236 k = 0.5000 0.2887 0.2693 ( 1048 PWs) bands (ev): 2.8112 2.8112 2.8112 2.8112 3.1105 3.1105 3.1105 3.1105 3.9130 3.9130 3.9130 3.9130 4.1624 4.1624 4.1624 4.1624 4.3987 4.3987 4.3987 4.3987 9.2930 9.2930 9.2930 9.2930 11.3261 11.3261 11.3261 11.3261 21.3236 21.3236 21.3236 21.3236 k = 0.4958 0.2959 0.2693 ( 1048 PWs) bands (ev): 2.8116 2.8116 2.8119 2.8119 3.1099 3.1099 3.1115 3.1115 3.9104 3.9104 3.9147 3.9147 4.1600 4.1600 4.1649 4.1649 4.3969 4.3969 4.3990 4.3990 9.2954 9.2954 9.2954 9.2954 11.3270 11.3270 11.3273 11.3273 21.3238 21.3238 21.3256 21.3256 k = 0.4917 0.3031 0.2693 ( 1048 PWs) bands (ev): 2.8132 2.8132 2.8139 2.8139 3.1098 3.1098 3.1130 3.1130 3.9069 3.9069 3.9155 3.9155 4.1576 4.1576 4.1674 4.1674 4.3935 4.3935 4.3978 4.3978 9.3026 9.3026 9.3026 9.3026 11.3299 11.3299 11.3305 11.3305 21.3262 21.3262 21.3300 21.3300 k = 0.4875 0.3103 0.2693 ( 1042 PWs) bands (ev): 2.8160 2.8160 2.8171 2.8171 3.1102 3.1102 3.1149 3.1149 3.9027 3.9027 3.9154 3.9154 4.1553 4.1553 4.1699 4.1699 4.3886 4.3886 4.3950 4.3950 9.3146 9.3146 9.3146 9.3146 11.3349 11.3349 11.3358 11.3358 21.3303 21.3303 21.3366 21.3366 k = 0.4833 0.3175 0.2693 ( 1038 PWs) bands (ev): 2.8200 2.8200 2.8215 2.8215 3.1110 3.1110 3.1173 3.1173 3.8976 3.8976 3.9142 3.9142 4.1531 4.1531 4.1724 4.1724 4.3822 4.3822 4.3908 4.3908 9.3313 9.3313 9.3313 9.3313 11.3419 11.3419 11.3432 11.3432 21.3353 21.3353 21.3450 21.3450 k = 0.4792 0.3248 0.2693 ( 1038 PWs) bands (ev): 2.8252 2.8252 2.8270 2.8270 3.1122 3.1122 3.1202 3.1202 3.8917 3.8917 3.9120 3.9120 4.1509 4.1509 4.1747 4.1747 4.3744 4.3744 4.3852 4.3852 9.3527 9.3527 9.3528 9.3528 11.3510 11.3510 11.3526 11.3526 21.3396 21.3396 21.3541 21.3541 k = 0.4750 0.3320 0.2693 ( 1038 PWs) bands (ev): 2.8314 2.8314 2.8336 2.8336 3.1138 3.1138 3.1235 3.1235 3.8851 3.8851 3.9089 3.9089 4.1489 4.1489 4.1768 4.1768 4.3652 4.3652 4.3783 4.3783 9.3788 9.3788 9.3788 9.3788 11.3622 11.3622 11.3641 11.3641 21.3394 21.3394 21.3619 21.3619 k = 0.4708 0.3392 0.2693 ( 1038 PWs) bands (ev): 2.8387 2.8387 2.8414 2.8414 3.1159 3.1159 3.1273 3.1273 3.8779 3.8779 3.9047 3.9047 4.1468 4.1468 4.1787 4.1787 4.3548 4.3548 4.3701 4.3701 9.4095 9.4095 9.4095 9.4095 11.3754 11.3754 11.3777 11.3777 21.3259 21.3259 21.3620 21.3620 k = 0.4667 0.3464 0.2693 ( 1034 PWs) bands (ev): 2.8472 2.8472 2.8503 2.8503 3.1185 3.1185 3.1315 3.1315 3.8700 3.8700 3.8997 3.8997 4.1447 4.1447 4.1803 4.1803 4.3433 4.3433 4.3608 4.3608 9.4446 9.4446 9.4448 9.4448 11.3908 11.3908 11.3934 11.3934 21.2759 21.2759 21.3327 21.3327 k = 0.4625 0.3536 0.2693 ( 1034 PWs) bands (ev): 2.8567 2.8567 2.8602 2.8602 3.1214 3.1214 3.1362 3.1362 3.8615 3.8615 3.8938 3.8938 4.1426 4.1426 4.1814 4.1814 4.3307 4.3307 4.3506 4.3506 9.4842 9.4842 9.4844 9.4844 11.4082 11.4082 11.4112 11.4112 21.1503 21.1503 21.2166 21.2166 k = 0.4583 0.3608 0.2693 ( 1038 PWs) bands (ev): 2.8671 2.8671 2.8711 2.8711 3.1247 3.1247 3.1413 3.1413 3.8524 3.8524 3.8869 3.8869 4.1402 4.1402 4.1820 4.1820 4.3174 4.3174 4.3394 4.3394 9.5281 9.5281 9.5285 9.5285 11.4278 11.4278 11.4312 11.4312 20.9444 20.9444 20.9990 20.9990 k = 0.4542 0.3681 0.2693 ( 1038 PWs) bands (ev): 2.8785 2.8785 2.8830 2.8830 3.1285 3.1285 3.1470 3.1470 3.8429 3.8429 3.8793 3.8793 4.1377 4.1377 4.1818 4.1818 4.3036 4.3036 4.3276 4.3276 9.5762 9.5762 9.5768 9.5768 11.4495 11.4495 11.4533 11.4533 20.6946 20.6946 20.7376 20.7376 k = 0.4500 0.3753 0.2693 ( 1038 PWs) bands (ev): 2.8907 2.8907 2.8958 2.8958 3.1327 3.1327 3.1531 3.1531 3.8329 3.8329 3.8708 3.8708 4.1348 4.1348 4.1806 4.1806 4.2897 4.2897 4.3153 4.3153 9.6285 9.6285 9.6293 9.6293 11.4734 11.4734 11.4776 11.4776 20.4253 20.4253 20.4608 20.4608 k = 0.4458 0.3825 0.2693 ( 1038 PWs) bands (ev): 2.9037 2.9037 2.9094 2.9094 3.1373 3.1373 3.1597 3.1597 3.8225 3.8225 3.8617 3.8617 4.1315 4.1315 4.1779 4.1779 4.2762 4.2762 4.3027 4.3027 9.6848 9.6848 9.6858 9.6858 11.4995 11.4995 11.5041 11.5041 20.1468 20.1468 20.1773 20.1773 k = 0.4417 0.3897 0.2693 ( 1038 PWs) bands (ev): 2.9175 2.9175 2.9238 2.9238 3.1423 3.1423 3.1667 3.1667 3.8117 3.8117 3.8518 3.8518 4.1276 4.1276 4.1732 4.1732 4.2638 4.2638 4.2901 4.2901 9.7451 9.7451 9.7463 9.7463 11.5278 11.5278 11.5329 11.5329 19.8635 19.8635 19.8905 19.8905 k = 0.4375 0.3969 0.2693 ( 1034 PWs) bands (ev): 2.9320 2.9320 2.9390 2.9390 3.1477 3.1477 3.1742 3.1742 3.8007 3.8007 3.8414 3.8414 4.1229 4.1229 4.1659 4.1659 4.2530 4.2530 4.2777 4.2777 9.8092 9.8092 9.8107 9.8107 11.5584 11.5584 11.5639 11.5639 19.5778 19.5778 19.6023 19.6023 k = 0.4333 0.4041 0.2693 ( 1030 PWs) bands (ev): 2.9471 2.9471 2.9547 2.9547 3.1536 3.1536 3.1822 3.1822 3.7893 3.7893 3.8304 3.8304 4.1173 4.1173 4.1556 4.1556 4.2445 4.2445 4.2657 4.2657 9.8770 9.8770 9.8789 9.8789 11.5912 11.5912 11.5972 11.5972 19.2910 19.2910 19.3136 19.3136 k = 0.4292 0.4114 0.2693 ( 1030 PWs) bands (ev): 2.9627 2.9627 2.9710 2.9710 3.1599 3.1599 3.1906 3.1906 3.7778 3.7778 3.8188 3.8188 4.1107 4.1107 4.1423 4.1423 4.2382 4.2382 4.2543 4.2543 9.9484 9.9484 9.9507 9.9507 11.6264 11.6264 11.6329 11.6329 19.0039 19.0039 19.0251 19.0251 k = 0.4250 0.4186 0.2693 ( 1030 PWs) bands (ev): 2.9788 2.9788 2.9877 2.9877 3.1666 3.1666 3.1994 3.1994 3.7661 3.7661 3.8068 3.8068 4.1029 4.1029 4.1265 4.1265 4.2338 4.2338 4.2438 4.2438 10.0233 10.0233 10.0261 10.0261 11.6638 11.6638 11.6709 11.6709 18.7172 18.7172 18.7372 18.7372 k = 0.4208 0.4258 0.2693 ( 1030 PWs) bands (ev): 2.9951 2.9951 3.0047 3.0047 3.1738 3.1738 3.2087 3.2087 3.7543 3.7543 3.7943 3.7943 4.0939 4.0939 4.1089 4.1089 4.2307 4.2307 4.2343 4.2343 10.1017 10.1017 10.1050 10.1050 11.7037 11.7037 11.7113 11.7113 18.4312 18.4312 18.4503 18.4503 k = 0.4167 0.4330 0.2693 ( 1034 PWs) bands (ev): 3.0117 3.0117 3.0219 3.0219 3.1814 3.1814 3.2183 3.2183 3.7425 3.7425 3.7814 3.7814 4.0837 4.0837 4.0899 4.0899 4.2259 4.2259 4.2285 4.2285 10.1833 10.1833 10.1872 10.1872 11.7459 11.7459 11.7541 11.7541 18.1463 18.1463 18.1648 18.1648 k = 0.4125 0.4402 0.2693 ( 1038 PWs) bands (ev): 3.0284 3.0284 3.0390 3.0390 3.1895 3.1895 3.2282 3.2282 3.7309 3.7309 3.7682 3.7682 4.0700 4.0700 4.0724 4.0724 4.2185 4.2185 4.2268 4.2268 10.2681 10.2681 10.2727 10.2727 11.7905 11.7905 11.7995 11.7995 17.8629 17.8629 17.8807 17.8807 k = 0.4083 0.4474 0.2693 ( 1038 PWs) bands (ev): 3.0452 3.0452 3.0561 3.0561 3.1983 3.1983 3.2386 3.2386 3.7194 3.7194 3.7547 3.7547 4.0495 4.0495 4.0603 4.0603 4.2122 4.2122 4.2255 4.2255 10.3560 10.3560 10.3613 10.3613 11.8377 11.8377 11.8473 11.8473 17.5810 17.5810 17.5984 17.5984 k = 0.4042 0.4547 0.2693 ( 1038 PWs) bands (ev): 3.0620 3.0620 3.0728 3.0728 3.2077 3.2077 3.2491 3.2491 3.7083 3.7083 3.7411 3.7411 4.0287 4.0287 4.0476 4.0476 4.2067 4.2067 4.2244 4.2244 10.4469 10.4469 10.4530 10.4530 11.8873 11.8873 11.8976 11.8976 17.3009 17.3009 17.3180 17.3180 k = 0.4000 0.4619 0.2693 ( 1032 PWs) bands (ev): 3.0786 3.0786 3.0890 3.0890 3.2177 3.2177 3.2597 3.2597 3.6977 3.6977 3.7274 3.7274 4.0078 4.0078 4.0346 4.0346 4.2019 4.2019 4.2234 4.2234 10.5407 10.5407 10.5477 10.5477 11.9395 11.9395 11.9506 11.9506 17.0229 17.0229 17.0397 17.0397 k = 0.3958 0.4691 0.2693 ( 1034 PWs) bands (ev): 3.0949 3.0949 3.1046 3.1046 3.2283 3.2283 3.2702 3.2702 3.6877 3.6877 3.7136 3.7136 3.9868 3.9868 4.0213 4.0213 4.1977 4.1977 4.2224 4.2224 10.6372 10.6372 10.6451 10.6451 11.9942 11.9942 12.0062 12.0062 16.7469 16.7469 16.7635 16.7635 k = 0.3917 0.4763 0.2693 ( 1036 PWs) bands (ev): 3.1110 3.1110 3.1193 3.1193 3.2395 3.2395 3.2804 3.2804 3.6785 3.6785 3.6998 3.6998 3.9659 3.9659 4.0082 4.0082 4.1940 4.1940 4.2215 4.2215 10.7363 10.7363 10.7454 10.7454 12.0515 12.0515 12.0644 12.0644 16.4732 16.4732 16.4898 16.4898 k = 0.3875 0.4835 0.2693 ( 1040 PWs) bands (ev): 3.1266 3.1266 3.1330 3.1330 3.2512 3.2512 3.2901 3.2901 3.6704 3.6704 3.6861 3.6861 3.9451 3.9451 3.9953 3.9953 4.1907 4.1907 4.2205 4.2205 10.8379 10.8379 10.8482 10.8482 12.1114 12.1114 12.1254 12.1254 16.2021 16.2021 16.2186 16.2186 k = 0.3833 0.4907 0.2693 ( 1036 PWs) bands (ev): 3.1420 3.1420 3.1457 3.1457 3.2636 3.2636 3.2993 3.2993 3.6636 3.6636 3.6728 3.6728 3.9247 3.9247 3.9829 3.9829 4.1877 4.1877 4.2196 4.2196 10.9418 10.9418 10.9535 10.9535 12.1740 12.1740 12.1890 12.1890 15.9335 15.9335 15.9502 15.9502 k = 0.3792 0.4980 0.2693 ( 1036 PWs) bands (ev): 3.1568 3.1568 3.1572 3.1572 3.2762 3.2762 3.3073 3.3073 3.6583 3.6583 3.6597 3.6597 3.9045 3.9045 3.9711 3.9711 4.1849 4.1849 4.2186 4.2186 11.0479 11.0479 11.0611 11.0611 12.2392 12.2392 12.2554 12.2554 15.6678 15.6678 15.6846 15.6846 k = 0.3750 0.5052 0.2693 ( 1036 PWs) bands (ev): 3.1677 3.1677 3.1712 3.1712 3.2888 3.2888 3.3140 3.3140 3.6472 3.6472 3.6547 3.6547 3.8848 3.8848 3.9600 3.9600 4.1824 4.1824 4.2176 4.2176 11.1559 11.1559 11.1708 11.1708 12.3070 12.3070 12.3246 12.3246 15.4052 15.4052 15.4223 15.4223 k = 0.3708 0.5124 0.2693 ( 1032 PWs) bands (ev): 3.1771 3.1771 3.1851 3.1851 3.3012 3.3012 3.3192 3.3192 3.6353 3.6353 3.6533 3.6533 3.8656 3.8656 3.9498 3.9498 4.1800 4.1800 4.2166 4.2166 11.2656 11.2656 11.2824 11.2824 12.3774 12.3774 12.3964 12.3964 15.1461 15.1461 15.1635 15.1635 k = 0.3667 0.5196 0.2693 ( 1032 PWs) bands (ev): 3.1855 3.1855 3.1985 3.1985 3.3130 3.3130 3.3226 3.3226 3.6242 3.6242 3.6539 3.6539 3.8469 3.8469 3.9406 3.9406 4.1779 4.1779 4.2156 4.2156 11.3765 11.3765 11.3956 11.3956 12.4503 12.4503 12.4710 12.4710 14.8908 14.8908 14.9086 14.9086 k = 0.3625 0.5268 0.2693 ( 1032 PWs) bands (ev): 3.1929 3.1929 3.2114 3.2114 3.3240 3.3240 3.3240 3.3240 3.6140 3.6140 3.6567 3.6567 3.8287 3.8287 3.9324 3.9324 4.1758 4.1758 4.2147 4.2147 11.4882 11.4882 11.5099 11.5099 12.5255 12.5255 12.5482 12.5482 14.6400 14.6400 14.6584 14.6584 k = 0.3583 0.5340 0.2693 ( 1036 PWs) bands (ev): 3.1992 3.1992 3.2238 3.2238 3.3236 3.3236 3.3339 3.3339 3.6050 3.6050 3.6615 3.6615 3.8111 3.8111 3.9252 3.9252 4.1740 4.1740 4.2137 4.2137 11.5999 11.5999 11.6247 11.6247 12.6029 12.6029 12.6278 12.6278 14.3947 14.3947 14.4138 14.4138 k = 0.3542 0.5413 0.2693 ( 1036 PWs) bands (ev): 3.2046 3.2046 3.2356 3.2356 3.3213 3.3213 3.3424 3.3424 3.5972 3.5972 3.6684 3.6684 3.7943 3.7943 3.9193 3.9193 4.1723 4.1723 4.2128 4.2128 11.7106 11.7106 11.7388 11.7388 12.6817 12.6817 12.7094 12.7094 14.1566 14.1566 14.1764 14.1764 k = 0.3500 0.5485 0.2693 ( 1036 PWs) bands (ev): 3.2091 3.2091 3.2469 3.2469 3.3174 3.3174 3.3494 3.3494 3.5909 3.5909 3.6769 3.6769 3.7782 3.7782 3.9146 3.9146 4.1709 4.1709 4.2120 4.2120 11.8182 11.8182 11.8507 11.8507 12.7609 12.7609 12.7923 12.7923 13.9285 13.9285 13.9489 13.9489 k = 0.3458 0.5557 0.2693 ( 1030 PWs) bands (ev): 3.2126 3.2126 3.2576 3.2576 3.3121 3.3121 3.3549 3.3549 3.5861 3.5861 3.6869 3.6869 3.7629 3.7629 3.9111 3.9111 4.1698 4.1698 4.2114 4.2114 11.9195 11.9195 11.9573 11.9573 12.8382 12.8382 12.8747 12.8747 13.7158 13.7158 13.7363 13.7363 k = 0.3417 0.5629 0.2693 ( 1030 PWs) bands (ev): 3.2150 3.2150 3.2674 3.2674 3.3058 3.3058 3.3585 3.3585 3.5828 3.5828 3.6979 3.6979 3.7484 3.7484 3.9086 3.9086 4.1689 4.1689 4.2108 4.2108 12.0090 12.0090 12.0527 12.0527 12.9079 12.9079 12.9520 12.9520 13.5301 13.5301 13.5489 13.5489 k = 0.3375 0.5701 0.2693 ( 1034 PWs) bands (ev): 3.2164 3.2164 3.2759 3.2759 3.2992 3.2992 3.3606 3.3606 3.5808 3.5808 3.7096 3.7096 3.7347 3.7347 3.9073 3.9073 4.1683 4.1683 4.2105 4.2105 12.0759 12.0759 12.1256 12.1256 12.9565 12.9565 13.0119 13.0119 13.3962 13.3962 13.4097 13.4097 k = 0.3333 0.5774 0.2693 ( 1038 PWs) bands (ev): 3.2169 3.2169 3.2803 3.2803 3.2954 3.2954 3.3612 3.3612 3.5802 3.5802 3.7206 3.7206 3.7230 3.7230 3.9068 3.9068 4.1681 4.1681 4.2103 4.2103 12.1029 12.1029 12.1557 12.1557 12.9695 12.9695 13.0323 13.0323 13.3490 13.3490 13.3580 13.3580 k = 0.3333 0.5774 0.2693 ( 1038 PWs) bands (ev): 3.2169 3.2169 3.2803 3.2803 3.2954 3.2954 3.3612 3.3612 3.5802 3.5802 3.7206 3.7206 3.7230 3.7230 3.9068 3.9068 4.1681 4.1681 4.2103 4.2103 12.1029 12.1029 12.1557 12.1557 12.9695 12.9695 13.0323 13.0323 13.3490 13.3490 13.3580 13.3580 k = 0.3291 0.5700 0.2693 ( 1034 PWs) bands (ev): 3.2164 3.2164 3.2759 3.2759 3.2993 3.2993 3.3606 3.3606 3.5808 3.5808 3.7098 3.7098 3.7345 3.7345 3.9072 3.9072 4.1683 4.1683 4.2105 4.2105 12.0695 12.0695 12.1182 12.1182 12.9760 12.9760 13.0310 13.0310 13.3842 13.3842 13.3970 13.3970 k = 0.3249 0.5627 0.2693 ( 1034 PWs) bands (ev): 3.2150 3.2150 3.2675 3.2675 3.3061 3.3061 3.3591 3.3591 3.5823 3.5823 3.6987 3.6987 3.7469 3.7469 3.9083 3.9083 4.1690 4.1690 4.2109 4.2109 11.9698 11.9698 12.0085 12.0085 13.0210 13.0210 13.0604 13.0604 13.4617 13.4617 13.4801 13.4801 k = 0.3207 0.5554 0.2693 ( 1038 PWs) bands (ev): 3.2127 3.2127 3.2580 3.2580 3.3129 3.3129 3.3567 3.3567 3.5846 3.5846 3.6887 3.6887 3.7590 3.7590 3.9098 3.9098 4.1702 4.1702 4.2116 4.2116 11.8198 11.8198 11.8485 11.8485 13.1062 13.1062 13.1308 13.1308 13.5579 13.5579 13.5812 13.5812 k = 0.3165 0.5481 0.2693 ( 1036 PWs) bands (ev): 3.2095 3.2095 3.2482 3.2482 3.3192 3.3192 3.3538 3.3538 3.5874 3.5874 3.6798 3.6798 3.7708 3.7708 3.9116 3.9116 4.1719 4.1719 4.2127 4.2127 11.6397 11.6397 11.6609 11.6609 13.2174 13.2174 13.2303 13.2303 13.6643 13.6643 13.6918 13.6918 k = 0.3122 0.5408 0.2693 ( 1036 PWs) bands (ev): 3.2056 3.2056 3.2383 3.2383 3.3248 3.3248 3.3506 3.3506 3.5907 3.5907 3.6719 3.6719 3.7819 3.7819 3.9136 3.9136 4.1742 4.1742 4.2142 4.2142 11.4435 11.4435 11.4592 11.4592 13.3444 13.3444 13.3482 13.3482 13.7777 13.7777 13.8089 13.8089 k = 0.3080 0.5335 0.2693 ( 1036 PWs) bands (ev): 3.2012 3.2012 3.2284 3.2284 3.3297 3.3297 3.3470 3.3470 3.5944 3.5944 3.6651 3.6651 3.7923 3.7923 3.9156 3.9156 4.1770 4.1770 4.2160 4.2160 11.2387 11.2387 11.2506 11.2506 13.4779 13.4779 13.4815 13.4815 13.8965 13.8965 13.9313 13.9313 k = 0.3038 0.5262 0.2693 ( 1040 PWs) bands (ev): 3.1962 3.1962 3.2187 3.2187 3.3338 3.3338 3.3433 3.3433 3.5982 3.5982 3.6593 3.6593 3.8018 3.8018 3.9174 3.9174 4.1804 4.1804 4.2183 4.2183 11.0298 11.0298 11.0388 11.0388 13.6158 13.6158 13.6256 13.6256 14.0201 14.0202 14.0584 14.0584 k = 0.2996 0.5189 0.2693 ( 1040 PWs) bands (ev): 3.1909 3.1909 3.2092 3.2092 3.3372 3.3372 3.3395 3.3395 3.6021 3.6021 3.6546 3.6546 3.8104 3.8104 3.9189 3.9189 4.1843 4.1843 4.2208 4.2208 10.8191 10.8191 10.8261 10.8261 13.7597 13.7597 13.7750 13.7750 14.1482 14.1482 14.1899 14.1899 k = 0.2954 0.5116 0.2693 ( 1040 PWs) bands (ev): 3.1853 3.1853 3.1999 3.1999 3.3357 3.3357 3.3398 3.3398 3.6062 3.6062 3.6508 3.6508 3.8181 3.8181 3.9202 3.9202 4.1887 4.1887 4.2238 4.2238 10.6082 10.6082 10.6135 10.6135 13.9085 13.9085 13.9287 13.9287 14.2805 14.2805 14.3256 14.3256 k = 0.2911 0.5043 0.2693 ( 1040 PWs) bands (ev): 3.1797 3.1797 3.1910 3.1910 3.3319 3.3319 3.3417 3.3417 3.6102 3.6102 3.6480 3.6480 3.8249 3.8249 3.9210 3.9210 4.1934 4.1934 4.2270 4.2270 10.3980 10.3980 10.4020 10.4020 14.0613 14.0613 14.0862 14.0862 14.4167 14.4167 14.4653 14.4653 k = 0.2869 0.4970 0.2693 ( 1040 PWs) bands (ev): 3.1740 3.1740 3.1825 3.1825 3.3282 3.3282 3.3430 3.3430 3.6141 3.6141 3.6459 3.6459 3.8307 3.8307 3.9215 3.9215 4.1985 4.1985 4.2305 4.2305 10.1891 10.1891 10.1921 10.1921 14.2177 14.2177 14.2468 14.2468 14.5570 14.5570 14.6089 14.6089 k = 0.2827 0.4897 0.2693 ( 1040 PWs) bands (ev): 3.1683 3.1683 3.1743 3.1743 3.3245 3.3245 3.3437 3.3437 3.6178 3.6178 3.6444 3.6444 3.8357 3.8357 3.9217 3.9217 4.2038 4.2038 4.2341 4.2341 9.9819 9.9819 9.9840 9.9840 14.3772 14.3772 14.4105 14.4105 14.7011 14.7011 14.7564 14.7564 k = 0.2785 0.4823 0.2693 ( 1032 PWs) bands (ev): 3.1629 3.1629 3.1667 3.1667 3.3209 3.3209 3.3439 3.3439 3.6213 3.6213 3.6436 3.6436 3.8400 3.8400 3.9216 3.9216 4.2092 4.2092 4.2380 4.2380 9.7768 9.7768 9.7782 9.7782 14.5397 14.5397 14.5769 14.5769 14.8489 14.8489 14.9076 14.9076 k = 0.2743 0.4750 0.2693 ( 1028 PWs) bands (ev): 3.1577 3.1577 3.1595 3.1595 3.3175 3.3175 3.3437 3.3437 3.6244 3.6244 3.6431 3.6431 3.8435 3.8435 3.9213 3.9213 4.2146 4.2146 4.2419 4.2419 9.5740 9.5740 9.5747 9.5747 14.7050 14.7051 14.7460 14.7460 15.0005 15.0005 15.0624 15.0624 k = 0.2700 0.4677 0.2693 ( 1032 PWs) bands (ev): 3.1526 3.1526 3.1527 3.1527 3.3142 3.3142 3.3430 3.3430 3.6270 3.6270 3.6428 3.6428 3.8463 3.8463 3.9208 3.9208 4.2199 4.2199 4.2457 4.2457 9.3736 9.3736 9.3738 9.3738 14.8732 14.8732 14.9176 14.9176 15.1557 15.1557 15.2207 15.2207 k = 0.2658 0.4604 0.2693 ( 1028 PWs) bands (ev): 3.1464 3.1464 3.1480 3.1480 3.3110 3.3110 3.3422 3.3422 3.6292 3.6292 3.6426 3.6426 3.8487 3.8487 3.9202 3.9202 4.2250 4.2250 4.2495 4.2495 9.1756 9.1756 9.1759 9.1759 15.0440 15.0440 15.0917 15.0917 15.3144 15.3144 15.3824 15.3824 k = 0.2616 0.4531 0.2693 ( 1028 PWs) bands (ev): 3.1407 3.1407 3.1436 3.1436 3.3080 3.3080 3.3412 3.3412 3.6307 3.6307 3.6423 3.6423 3.8508 3.8508 3.9197 3.9197 4.2298 4.2298 4.2530 4.2530 8.9801 8.9801 8.9808 8.9808 15.2175 15.2175 15.2683 15.2683 15.4766 15.4766 15.5474 15.5474 k = 0.2574 0.4458 0.2693 ( 1032 PWs) bands (ev): 3.1354 3.1354 3.1397 3.1397 3.3052 3.3052 3.3400 3.3400 3.6315 3.6315 3.6417 3.6417 3.8525 3.8525 3.9193 3.9193 4.2343 4.2343 4.2563 4.2563 8.7875 8.7875 8.7887 8.7887 15.3938 15.3938 15.4472 15.4473 15.6420 15.6420 15.7154 15.7154 k = 0.2532 0.4385 0.2693 ( 1032 PWs) bands (ev): 3.1306 3.1306 3.1362 3.1362 3.3026 3.3026 3.3389 3.3389 3.6316 3.6316 3.6407 3.6407 3.8541 3.8541 3.9190 3.9190 4.2383 4.2383 4.2593 4.2593 8.5979 8.5979 8.5994 8.5994 15.5728 15.5728 15.6287 15.6287 15.8105 15.8105 15.8863 15.8863 k = 0.2489 0.4312 0.2693 ( 1036 PWs) bands (ev): 3.1264 3.1264 3.1331 3.1331 3.3003 3.3003 3.3377 3.3377 3.6309 3.6309 3.6392 3.6392 3.8557 3.8557 3.9190 3.9190 4.2418 4.2418 4.2618 4.2618 8.4113 8.4113 8.4131 8.4131 15.7545 15.7545 15.8126 15.8126 15.9820 15.9820 16.0599 16.0599 k = 0.2447 0.4239 0.2693 ( 1036 PWs) bands (ev): 3.1227 3.1227 3.1304 3.1304 3.2981 3.2981 3.3366 3.3366 3.6293 3.6293 3.6371 3.6371 3.8573 3.8573 3.9193 3.9193 4.2448 4.2448 4.2639 4.2639 8.2278 8.2278 8.2300 8.2300 15.9390 15.9390 15.9990 15.9990 16.1562 16.1562 16.2360 16.2360 k = 0.2405 0.4166 0.2693 ( 1036 PWs) bands (ev): 3.1195 3.1195 3.1282 3.1282 3.2963 3.2963 3.3357 3.3357 3.6268 3.6268 3.6342 3.6342 3.8592 3.8592 3.9199 3.9199 4.2472 4.2472 4.2655 4.2655 8.0475 8.0475 8.0499 8.0499 16.1263 16.1263 16.1878 16.1878 16.3328 16.3328 16.4142 16.4142 k = 0.2363 0.4093 0.2693 ( 1038 PWs) bands (ev): 3.1168 3.1168 3.1265 3.1265 3.2946 3.2946 3.3349 3.3349 3.6234 3.6234 3.6304 3.6304 3.8612 3.8612 3.9209 3.9209 4.2489 4.2489 4.2665 4.2665 7.8704 7.8704 7.8732 7.8732 16.3164 16.3164 16.3792 16.3792 16.5116 16.5116 16.5943 16.5943 k = 0.2321 0.4020 0.2693 ( 1036 PWs) bands (ev): 3.1146 3.1146 3.1253 3.1253 3.2932 3.2932 3.3343 3.3343 3.6190 3.6190 3.6259 3.6259 3.8635 3.8635 3.9224 3.9224 4.2500 4.2500 4.2670 4.2670 7.6967 7.6967 7.6997 7.6997 16.5094 16.5094 16.5729 16.5729 16.6921 16.6921 16.7757 16.7757 k = 0.2278 0.3946 0.2693 ( 1040 PWs) bands (ev): 3.1129 3.1129 3.1245 3.1245 3.2919 3.2919 3.3338 3.3338 3.6137 3.6137 3.6203 3.6203 3.8661 3.8661 3.9242 3.9242 4.2503 4.2503 4.2668 4.2668 7.5263 7.5263 7.5296 7.5296 16.7052 16.7052 16.7690 16.7690 16.8740 16.8740 16.9579 16.9579 k = 0.2236 0.3873 0.2693 ( 1040 PWs) bands (ev): 3.1116 3.1116 3.1243 3.1243 3.2908 3.2908 3.3335 3.3335 3.6075 3.6075 3.6139 3.6139 3.8689 3.8689 3.9263 3.9263 4.2499 4.2499 4.2660 4.2660 7.3594 7.3594 7.3630 7.3630 16.9038 16.9038 16.9670 16.9670 17.0567 17.0567 17.1401 17.1401 k = 0.2194 0.3800 0.2693 ( 1040 PWs) bands (ev): 3.1108 3.1108 3.1244 3.1244 3.2899 3.2899 3.3334 3.3334 3.6004 3.6004 3.6065 3.6065 3.8721 3.8721 3.9289 3.9289 4.2488 4.2488 4.2645 4.2645 7.1960 7.1960 7.1999 7.1999 17.1051 17.1051 17.1660 17.1660 17.2403 17.2403 17.3213 17.3213 k = 0.2152 0.3727 0.2693 ( 1040 PWs) bands (ev): 3.1104 3.1104 3.1250 3.1250 3.2890 3.2890 3.3335 3.3335 3.5925 3.5925 3.5982 3.5982 3.8755 3.8755 3.9317 3.9317 4.2469 4.2469 4.2623 4.2623 7.0363 7.0363 7.0404 7.0404 17.3090 17.3090 17.3631 17.3631 17.4259 17.4259 17.4999 17.4999 k = 0.2110 0.3654 0.2693 ( 1036 PWs) bands (ev): 3.1104 3.1104 3.1261 3.1261 3.2883 3.2883 3.3338 3.3338 3.5838 3.5838 3.5891 3.5891 3.8792 3.8792 3.9349 3.9349 4.2443 4.2443 4.2594 4.2594 6.8802 6.8802 6.8846 6.8846 17.5149 17.5149 17.5516 17.5516 17.6179 17.6179 17.6738 17.6738 k = 0.2068 0.3581 0.2693 ( 1040 PWs) bands (ev): 3.1107 3.1107 3.1274 3.1274 3.2876 3.2876 3.3342 3.3342 3.5743 3.5743 3.5792 3.5792 3.8830 3.8830 3.9383 3.9383 4.2408 4.2408 4.2558 4.2558 6.7279 6.7279 6.7326 6.7326 17.7211 17.7211 17.7241 17.7241 17.8200 17.8200 17.8406 17.8406 k = 0.2025 0.3508 0.2693 ( 1040 PWs) bands (ev): 3.1113 3.1113 3.1292 3.1292 3.2868 3.2868 3.3347 3.3347 3.5643 3.5643 3.5685 3.5685 3.8869 3.8869 3.9418 3.9418 4.2366 4.2366 4.2514 4.2514 6.5796 6.5796 6.5846 6.5846 17.8777 17.8777 17.9194 17.9194 18.0027 18.0027 18.0301 18.0301 k = 0.1983 0.3435 0.2693 ( 1040 PWs) bands (ev): 3.1122 3.1122 3.1313 3.1313 3.2858 3.2858 3.3352 3.3352 3.5537 3.5537 3.5572 3.5572 3.8909 3.8909 3.9455 3.9455 4.2316 4.2316 4.2463 4.2463 6.4352 6.4352 6.4405 6.4405 18.0074 18.0074 18.0761 18.0761 18.1851 18.1851 18.2452 18.2452 k = 0.1941 0.3362 0.2693 ( 1040 PWs) bands (ev): 3.1132 3.1132 3.1337 3.1337 3.2847 3.2847 3.3357 3.3357 3.5427 3.5427 3.5453 3.5453 3.8949 3.8949 3.9492 3.9492 4.2257 4.2257 4.2405 4.2405 6.2949 6.2949 6.3006 6.3006 18.1049 18.1049 18.1740 18.1740 18.3946 18.3946 18.4644 18.4644 k = 0.1899 0.3289 0.2693 ( 1038 PWs) bands (ev): 3.1143 3.1143 3.1362 3.1362 3.2831 3.2831 3.3361 3.3361 3.5315 3.5315 3.5330 3.5330 3.8989 3.8989 3.9530 3.9530 4.2191 4.2191 4.2340 4.2340 6.1589 6.1589 6.1649 6.1649 18.1629 18.1629 18.2230 18.2230 18.6138 18.6138 18.6870 18.6870 k = 0.1857 0.3216 0.2693 ( 1042 PWs) bands (ev): 3.1154 3.1154 3.1388 3.1388 3.2810 3.2810 3.3362 3.3362 3.5202 3.5202 3.5203 3.5203 3.9027 3.9027 3.9566 3.9566 4.2118 4.2118 4.2268 4.2268 6.0272 6.0272 6.0336 6.0336 18.1793 18.1793 18.2278 18.2278 18.8377 18.8377 18.9129 18.9129 k = 0.1814 0.3143 0.2693 ( 1042 PWs) bands (ev): 3.1163 3.1163 3.1413 3.1413 3.2784 3.2784 3.3359 3.3359 3.5078 3.5078 3.5090 3.5090 3.9064 3.9064 3.9603 3.9603 4.2036 4.2036 4.2189 4.2189 5.9001 5.9001 5.9069 5.9069 18.1596 18.1596 18.1973 18.1973 19.0653 19.0653 19.1419 19.1419 k = 0.1772 0.3069 0.2693 ( 1038 PWs) bands (ev): 3.1169 3.1169 3.1436 3.1436 3.2751 3.2751 3.3351 3.3351 3.4955 3.4955 3.4982 3.4982 3.9099 3.9099 3.9637 3.9637 4.1948 4.1948 4.2103 4.2103 5.7776 5.7776 5.7848 5.7848 18.1128 18.1128 18.1418 18.1418 19.2961 19.2961 19.3740 19.3740 k = 0.1730 0.2996 0.2693 ( 1038 PWs) bands (ev): 3.1168 3.1168 3.1452 3.1452 3.2709 3.2709 3.3334 3.3334 3.4838 3.4838 3.4880 3.4880 3.9130 3.9130 3.9669 3.9669 4.1852 4.1852 4.2012 4.2012 5.6599 5.6599 5.6675 5.6675 18.0478 18.0478 18.0702 18.0702 19.5300 19.5300 19.6090 19.6090 k = 0.1688 0.2923 0.2693 ( 1038 PWs) bands (ev): 3.1158 3.1158 3.1457 3.1457 3.2661 3.2661 3.3307 3.3307 3.4732 3.4732 3.4787 3.4787 3.9157 3.9157 3.9698 3.9698 4.1751 4.1751 4.1915 4.1915 5.5472 5.5472 5.5552 5.5552 17.9711 17.9711 17.9887 17.9887 19.7668 19.7668 19.8470 19.8470 k = 0.1646 0.2850 0.2693 ( 1038 PWs) bands (ev): 3.1134 3.1134 3.1443 3.1443 3.2610 3.2610 3.3268 3.3268 3.4640 3.4640 3.4705 3.4705 3.9180 3.9180 3.9721 3.9721 4.1644 4.1644 4.1813 4.1813 5.4396 5.4396 5.4481 5.4481 17.8873 17.8873 17.9012 17.9012 20.0064 20.0064 20.0878 20.0878 k = 0.1603 0.2777 0.2693 ( 1046 PWs) bands (ev): 3.1091 3.1091 3.1402 3.1402 3.2561 3.2561 3.3220 3.3220 3.4565 3.4565 3.4637 3.4637 3.9196 3.9196 3.9739 3.9739 4.1532 4.1532 4.1706 4.1706 5.3373 5.3373 5.3462 5.3462 17.7992 17.7992 17.8105 17.8105 20.2488 20.2488 20.3314 20.3314 k = 0.1561 0.2704 0.2693 ( 1046 PWs) bands (ev): 3.1024 3.1024 3.1324 3.1324 3.2524 3.2524 3.3164 3.3164 3.4511 3.4511 3.4582 3.4582 3.9205 3.9205 3.9749 3.9749 4.1419 4.1419 4.1598 4.1598 5.2404 5.2404 5.2497 5.2497 17.7089 17.7089 17.7181 17.7181 20.4939 20.4939 20.5779 20.5779 k = 0.1519 0.2631 0.2693 ( 1050 PWs) bands (ev): 3.0925 3.0925 3.1200 3.1200 3.2505 3.2505 3.3106 3.3106 3.4474 3.4474 3.4541 3.4541 3.9206 3.9206 3.9749 3.9749 4.1307 4.1307 4.1490 4.1490 5.1490 5.1490 5.1588 5.1588 17.6178 17.6178 17.6253 17.6253 20.7417 20.7417 20.8271 20.8271 k = 0.1477 0.2558 0.2693 ( 1050 PWs) bands (ev): 3.0789 3.0789 3.1028 3.1028 3.2507 3.2507 3.3054 3.3054 3.4455 3.4455 3.4514 3.4514 3.9196 3.9196 3.9736 3.9736 4.1197 4.1197 4.1382 4.1382 5.0632 5.0632 5.0734 5.0734 17.5266 17.5266 17.5328 17.5328 20.9921 20.9921 21.0791 21.0791 k = 0.1435 0.2485 0.2693 ( 1050 PWs) bands (ev): 3.0611 3.0611 3.0809 3.0809 3.2529 3.2529 3.3015 3.3015 3.4450 3.4450 3.4498 3.4498 3.9175 3.9175 3.9707 3.9707 4.1095 4.1095 4.1279 4.1279 4.9831 4.9831 4.9937 4.9937 17.4361 17.4361 17.4413 17.4413 21.2451 21.2451 21.3336 21.3336 k = 0.1392 0.2412 0.2693 ( 1046 PWs) bands (ev): 3.0391 3.0391 3.0548 3.0548 3.2568 3.2568 3.2992 3.2992 3.4457 3.4457 3.4494 3.4494 3.9140 3.9140 3.9658 3.9658 4.1004 4.1004 4.1181 4.1181 4.9087 4.9087 4.9196 4.9196 17.3467 17.3467 17.3510 17.3510 21.5007 21.5007 21.5908 21.5908 k = 0.1350 0.2339 0.2693 ( 1050 PWs) bands (ev): 3.0128 3.0128 3.0249 3.0249 3.2619 3.2619 3.2985 3.2985 3.4471 3.4471 3.4497 3.4497 3.9091 3.9091 3.9587 3.9587 4.0927 4.0927 4.1091 4.1091 4.8398 4.8398 4.8510 4.8510 17.2587 17.2587 17.2624 17.2624 21.7587 21.7587 21.8505 21.8505 k = 0.1308 0.2266 0.2693 ( 1050 PWs) bands (ev): 2.9826 2.9826 2.9917 2.9917 3.2679 3.2679 3.2995 3.2995 3.4492 3.4492 3.4507 3.4507 3.9026 3.9026 3.9495 3.9495 4.0867 4.0867 4.1011 4.1011 4.7764 4.7764 4.7879 4.7879 17.1725 17.1725 17.1756 17.1756 22.0191 22.0191 22.1127 22.1127 k = 0.1266 0.2192 0.2693 ( 1050 PWs) bands (ev): 2.9489 2.9489 2.9557 2.9557 3.2748 3.2748 3.3019 3.3019 3.4518 3.4518 3.4524 3.4524 3.8947 3.8947 3.9382 3.9382 4.0823 4.0823 4.0943 4.0943 4.7183 4.7183 4.7299 4.7299 17.0883 17.0883 17.0909 17.0909 22.2818 22.2818 22.3773 22.3773 k = 0.1224 0.2119 0.2693 ( 1046 PWs) bands (ev): 2.9123 2.9123 2.9172 2.9172 3.2822 3.2822 3.3056 3.3056 3.4545 3.4545 3.4547 3.4547 3.8855 3.8855 3.9253 3.9253 4.0793 4.0793 4.0887 4.0887 4.6652 4.6652 4.6768 4.6768 17.0061 17.0061 17.0083 17.0083 22.5470 22.5470 22.6442 22.6442 k = 0.1181 0.2046 0.2693 ( 1046 PWs) bands (ev): 2.8731 2.8731 2.8766 2.8766 3.2900 3.2900 3.3102 3.3102 3.4569 3.4569 3.4578 3.4578 3.8751 3.8751 3.9111 3.9111 4.0775 4.0775 4.0843 4.0843 4.6167 4.6167 4.6283 4.6283 16.9262 16.9262 16.9280 16.9280 22.8143 22.8143 22.9135 22.9135 k = 0.1139 0.1973 0.2693 ( 1046 PWs) bands (ev): 2.8318 2.8318 2.8343 2.8343 3.2982 3.2982 3.3156 3.3156 3.4595 3.4595 3.4610 3.4610 3.8639 3.8639 3.8962 3.8962 4.0766 4.0766 4.0809 4.0809 4.5726 4.5726 4.5841 4.5841 16.8485 16.8485 16.8501 16.8501 23.0838 23.0838 23.1849 23.1849 k = 0.1097 0.1900 0.2693 ( 1046 PWs) bands (ev): 2.7889 2.7889 2.7906 2.7906 3.3065 3.3065 3.3215 3.3215 3.4623 3.4623 3.4642 3.4642 3.8521 3.8521 3.8809 3.8809 4.0763 4.0763 4.0785 4.0785 4.5325 4.5325 4.5438 4.5438 16.7733 16.7733 16.7747 16.7747 23.3555 23.3555 23.4585 23.4585 k = 0.1055 0.1827 0.2693 ( 1046 PWs) bands (ev): 2.7448 2.7448 2.7460 2.7460 3.3150 3.3150 3.3280 3.3280 3.4652 3.4652 3.4675 3.4675 3.8401 3.8401 3.8656 3.8656 4.0765 4.0765 4.0768 4.0768 4.4960 4.4960 4.5070 4.5070 16.7006 16.7006 16.7018 16.7018 23.6292 23.6292 23.7341 23.7341 k = 0.1013 0.1754 0.2693 ( 1046 PWs) bands (ev): 2.6999 2.6999 2.7007 2.7007 3.3235 3.3235 3.3347 3.3347 3.4681 3.4681 3.4707 3.4707 3.8281 3.8281 3.8507 3.8507 4.0757 4.0757 4.0770 4.0770 4.4627 4.4627 4.4735 4.4735 16.6304 16.6304 16.6314 16.6314 23.9050 23.9050 24.0117 24.0117 k = 0.0970 0.1681 0.2693 ( 1046 PWs) bands (ev): 2.6546 2.6546 2.6551 2.6551 3.3320 3.3320 3.3417 3.3417 3.4710 3.4710 3.4738 3.4738 3.8164 3.8164 3.8363 3.8363 4.0751 4.0751 4.0776 4.0776 4.4324 4.4324 4.4428 4.4428 16.5628 16.5628 16.5637 16.5637 24.1826 24.1826 24.2912 24.2912 k = 0.0928 0.1608 0.2693 ( 1050 PWs) bands (ev): 2.6092 2.6092 2.6095 2.6095 3.3404 3.3404 3.3487 3.3487 3.4738 3.4738 3.4768 3.4768 3.8051 3.8051 3.8226 3.8226 4.0749 4.0749 4.0784 4.0784 4.4047 4.4047 4.4147 4.4147 16.4979 16.4979 16.4986 16.4986 24.4620 24.4620 24.5723 24.5723 k = 0.0886 0.1535 0.2693 ( 1050 PWs) bands (ev): 2.5640 2.5640 2.5642 2.5642 3.3486 3.3486 3.3557 3.3557 3.4767 3.4767 3.4797 3.4797 3.7944 3.7944 3.8097 3.8097 4.0750 4.0750 4.0791 4.0791 4.3794 4.3794 4.3889 4.3889 16.4356 16.4356 16.4362 16.4362 24.7433 24.7433 24.8551 24.8551 k = 0.0844 0.1462 0.2693 ( 1046 PWs) bands (ev): 2.5194 2.5194 2.5195 2.5195 3.3566 3.3566 3.3626 3.3626 3.4795 3.4795 3.4826 3.4826 3.7845 3.7845 3.7978 3.7978 4.0752 4.0752 4.0799 4.0799 4.3563 4.3563 4.3653 4.3653 16.3761 16.3761 16.3766 16.3766 25.0261 25.0261 25.1395 25.1395 k = 0.0802 0.1389 0.2693 ( 1050 PWs) bands (ev): 2.4757 2.4757 2.4757 2.4757 3.3643 3.3643 3.3693 3.3693 3.4823 3.4823 3.4854 3.4854 3.7753 3.7753 3.7868 3.7868 4.0756 4.0756 4.0805 4.0805 4.3350 4.3350 4.3435 4.3435 16.3193 16.3193 16.3197 16.3197 25.3105 25.3105 25.4252 25.4252 k = 0.0759 0.1315 0.2693 ( 1050 PWs) bands (ev): 2.4330 2.4330 2.4330 2.4330 3.3715 3.3715 3.3757 3.3757 3.4851 3.4851 3.4881 3.4881 3.7669 3.7669 3.7769 3.7769 4.0760 4.0760 4.0810 4.0810 4.3155 4.3155 4.3234 4.3234 16.2653 16.2653 16.2656 16.2656 25.5962 25.5962 25.7121 25.7122 k = 0.0717 0.1242 0.2693 ( 1050 PWs) bands (ev): 2.3916 2.3916 2.3916 2.3916 3.3783 3.3783 3.3816 3.3816 3.4881 3.4881 3.4909 3.4909 3.7594 3.7594 3.7679 3.7679 4.0763 4.0763 4.0814 4.0814 4.2976 4.2976 4.3049 4.3049 16.2141 16.2141 16.2143 16.2143 25.8831 25.8831 26.0001 26.0001 k = 0.0675 0.1169 0.2693 ( 1046 PWs) bands (ev): 2.3517 2.3517 2.3518 2.3518 3.3845 3.3845 3.3871 3.3871 3.4911 3.4911 3.4938 3.4938 3.7527 3.7527 3.7599 3.7599 4.0767 4.0767 4.0816 4.0816 4.2813 4.2813 4.2880 4.2880 16.1657 16.1657 16.1659 16.1659 26.1710 26.1710 26.2888 26.2888 k = 0.0633 0.1096 0.2693 ( 1046 PWs) bands (ev): 2.3136 2.3136 2.3136 2.3136 3.3900 3.3900 3.3921 3.3921 3.4943 3.4943 3.4968 3.4968 3.7468 3.7468 3.7529 3.7529 4.0769 4.0769 4.0815 4.0815 4.2663 4.2663 4.2723 4.2723 16.1201 16.1201 16.1203 16.1203 26.4596 26.4596 26.5778 26.5778 k = 0.0591 0.1023 0.2693 ( 1046 PWs) bands (ev): 2.2773 2.2773 2.2773 2.2773 3.3948 3.3948 3.3964 3.3964 3.4978 3.4978 3.5000 3.5000 3.7416 3.7416 3.7466 3.7466 4.0770 4.0770 4.0813 4.0813 4.2527 4.2527 4.2581 4.2581 16.0774 16.0774 16.0776 16.0776 26.7485 26.7485 26.8666 26.8666 k = 0.0549 0.0950 0.2693 ( 1046 PWs) bands (ev): 2.2430 2.2430 2.2430 2.2430 3.3988 3.3988 3.4001 3.4001 3.5014 3.5014 3.5034 3.5034 3.7371 3.7371 3.7412 3.7412 4.0769 4.0769 4.0808 4.0808 4.2403 4.2403 4.2450 4.2450 16.0376 16.0376 16.0377 16.0377 27.0372 27.0372 27.1545 27.1545 k = 0.0506 0.0877 0.2693 ( 1038 PWs) bands (ev): 2.2108 2.2108 2.2108 2.2108 3.4022 3.4022 3.4031 3.4031 3.5053 3.5053 3.5070 3.5070 3.7333 3.7333 3.7365 3.7365 4.0767 4.0767 4.0801 4.0801 4.2293 4.2293 4.2334 4.2334 16.0007 16.0007 16.0008 16.0008 27.3252 27.3252 27.4403 27.4403 k = 0.0464 0.0804 0.2693 ( 1038 PWs) bands (ev): 2.1808 2.1808 2.1808 2.1808 3.4049 3.4049 3.4055 3.4055 3.5094 3.5094 3.5108 3.5108 3.7299 3.7299 3.7325 3.7325 4.0762 4.0762 4.0791 4.0791 4.2194 4.2194 4.2228 4.2228 15.9666 15.9666 15.9667 15.9667 27.6115 27.6115 27.7227 27.7227 k = 0.0422 0.0731 0.2693 ( 1042 PWs) bands (ev): 2.1532 2.1532 2.1532 2.1532 3.4068 3.4068 3.4073 3.4073 3.5135 3.5135 3.5146 3.5146 3.7270 3.7270 3.7290 3.7290 4.0756 4.0756 4.0780 4.0780 4.2107 4.2107 4.2134 4.2134 15.9355 15.9355 15.9356 15.9356 27.8951 27.8951 28.0001 28.0001 k = 0.0380 0.0658 0.2693 ( 1046 PWs) bands (ev): 2.1279 2.1279 2.1279 2.1279 3.4083 3.4083 3.4086 3.4086 3.5176 3.5176 3.5185 3.5185 3.7246 3.7246 3.7260 3.7260 4.0747 4.0747 4.0766 4.0766 4.2030 4.2030 4.2051 4.2051 15.9074 15.9074 15.9074 15.9074 28.1744 28.1744 28.2710 28.2710 k = 0.0338 0.0585 0.2693 ( 1050 PWs) bands (ev): 2.1052 2.1052 2.1052 2.1052 3.4093 3.4093 3.4095 3.4095 3.5217 3.5217 3.5223 3.5223 3.7224 3.7224 3.7235 3.7235 4.0737 4.0737 4.0751 4.0751 4.1963 4.1963 4.1979 4.1979 15.8821 15.8821 15.8821 15.8821 28.4474 28.4474 28.5334 28.5334 k = 0.0295 0.0512 0.2693 ( 1056 PWs) bands (ev): 2.0849 2.0849 2.0849 2.0849 3.4099 3.4099 3.4100 3.4100 3.5255 3.5255 3.5260 3.5260 3.7206 3.7206 3.7213 3.7213 4.0725 4.0725 4.0736 4.0736 4.1907 4.1907 4.1918 4.1918 15.8598 15.8598 15.8598 15.8598 28.7110 28.7110 28.7846 28.7846 k = 0.0253 0.0438 0.2693 ( 1056 PWs) bands (ev): 2.0673 2.0673 2.0673 2.0673 3.4103 3.4103 3.4104 3.4104 3.5292 3.5292 3.5295 3.5295 3.7191 3.7191 3.7196 3.7196 4.0713 4.0713 4.0720 4.0720 4.1860 4.1860 4.1867 4.1867 15.8405 15.8405 15.8405 15.8405 28.9614 28.9614 29.0210 29.0210 k = 0.0211 0.0365 0.2693 ( 1056 PWs) bands (ev): 2.0523 2.0523 2.0523 2.0523 3.4105 3.4105 3.4106 3.4106 3.5324 3.5324 3.5326 3.5326 3.7179 3.7179 3.7182 3.7182 4.0701 4.0701 4.0706 4.0706 4.1821 4.1821 4.1825 4.1825 15.8241 15.8241 15.8241 15.8241 29.1929 29.1929 29.2375 29.2375 k = 0.0169 0.0292 0.2693 ( 1056 PWs) bands (ev): 2.0400 2.0400 2.0400 2.0400 3.4106 3.4106 3.4106 3.4106 3.5351 3.5351 3.5352 3.5352 3.7169 3.7169 3.7171 3.7171 4.0690 4.0690 4.0693 4.0693 4.1790 4.1790 4.1793 4.1793 15.8107 15.8107 15.8107 15.8107 29.3978 29.3978 29.4273 29.4273 k = 0.0127 0.0219 0.2693 ( 1056 PWs) bands (ev): 2.0304 2.0304 2.0304 2.0304 3.4106 3.4106 3.4106 3.4106 3.5374 3.5374 3.5374 3.5374 3.7162 3.7162 3.7162 3.7162 4.0681 4.0681 4.0682 4.0682 4.1767 4.1767 4.1768 4.1768 15.8003 15.8003 15.8003 15.8003 29.5665 29.5665 29.5822 29.5822 k = 0.0084 0.0146 0.2693 ( 1056 PWs) bands (ev): 2.0235 2.0235 2.0235 2.0235 3.4106 3.4106 3.4106 3.4106 3.5390 3.5390 3.5390 3.5390 3.7156 3.7156 3.7156 3.7156 4.0673 4.0673 4.0674 4.0674 4.1751 4.1751 4.1751 4.1751 15.7928 15.7928 15.7928 15.7928 29.6893 29.6893 29.6947 29.6947 k = 0.0042 0.0073 0.2693 ( 1052 PWs) bands (ev): 2.0194 2.0194 2.0194 2.0194 3.4106 3.4106 3.4106 3.4106 3.5400 3.5400 3.5400 3.5400 3.7153 3.7153 3.7153 3.7153 4.0669 4.0669 4.0669 4.0669 4.1742 4.1742 4.1742 4.1742 15.7883 15.7883 15.7883 15.7883 29.7609 29.7609 29.7617 29.7617 k = 0.0000 0.0000 0.2693 ( 1052 PWs) bands (ev): 2.0180 2.0180 2.0180 2.0180 3.4105 3.4105 3.4105 3.4105 3.5403 3.5403 3.5403 3.5403 3.7152 3.7152 3.7152 3.7152 4.0667 4.0667 4.0667 4.0667 4.1738 4.1738 4.1738 4.1738 15.7869 15.7869 15.7869 15.7869 29.7838 29.7838 29.7838 29.7838 k = 0.5000 0.2887 0.2693 ( 1048 PWs) bands (ev): 2.8112 2.8112 2.8112 2.8112 3.1105 3.1105 3.1105 3.1105 3.9130 3.9130 3.9130 3.9130 4.1624 4.1624 4.1624 4.1624 4.3987 4.3987 4.3987 4.3987 9.2930 9.2930 9.2930 9.2930 11.3261 11.3261 11.3261 11.3261 21.3236 21.3236 21.3236 21.3236 k = 0.5000 0.2887 0.2609 ( 1048 PWs) bands (ev): 2.8084 2.8084 2.8138 2.8138 3.1073 3.1073 3.1144 3.1144 3.9022 3.9022 3.9238 3.9238 4.1519 4.1519 4.1720 4.1720 4.3970 4.3970 4.4006 4.4006 9.2670 9.2670 9.3140 9.3140 11.3256 11.3256 11.3376 11.3376 21.2662 21.2662 21.3402 21.3402 k = 0.5000 0.2887 0.2525 ( 1046 PWs) bands (ev): 2.8058 2.8058 2.8162 2.8162 3.1048 3.1048 3.1191 3.1191 3.8913 3.8913 3.9344 3.9344 4.1407 4.1407 4.1807 4.1807 4.3953 4.3953 4.4024 4.4024 9.2365 9.2365 9.3298 9.3298 11.3361 11.3361 11.3597 11.3597 21.1717 21.1717 21.3158 21.3158 k = 0.5000 0.2887 0.2441 ( 1046 PWs) bands (ev): 2.8031 2.8031 2.8184 2.8184 3.1029 3.1029 3.1247 3.1247 3.8804 3.8804 3.9448 3.9448 4.1286 4.1286 4.1884 4.1884 4.3936 4.3936 4.4043 4.4043 9.2019 9.2019 9.3404 9.3404 11.3576 11.3576 11.3919 11.3919 21.0453 21.0453 21.2529 21.2529 k = 0.5000 0.2887 0.2357 ( 1036 PWs) bands (ev): 2.8007 2.8007 2.8204 2.8204 3.1015 3.1015 3.1312 3.1312 3.8695 3.8695 3.9552 3.9552 4.1161 4.1161 4.1951 4.1951 4.3921 4.3921 4.4061 4.4061 9.1640 9.1640 9.3459 9.3459 11.3898 11.3898 11.4338 11.4338 20.8929 20.8929 21.1565 21.1565 k = 0.5000 0.2887 0.2273 ( 1038 PWs) bands (ev): 2.7985 2.7985 2.8220 2.8220 3.1004 3.1004 3.1387 3.1387 3.8584 3.8584 3.9651 3.9651 4.1028 4.1028 4.2007 4.2007 4.3906 4.3906 4.4079 4.4079 9.1232 9.1232 9.3466 9.3466 11.4322 11.4322 11.4847 11.4847 20.7203 20.7203 21.0326 21.0326 k = 0.5000 0.2887 0.2188 ( 1038 PWs) bands (ev): 2.7965 2.7965 2.8232 2.8232 3.0997 3.0997 3.1471 3.1471 3.8474 3.8474 3.9748 3.9748 4.0893 4.0893 4.2053 4.2053 4.3892 4.3892 4.4095 4.4095 9.0803 9.0803 9.3430 9.3430 11.4844 11.4844 11.5442 11.5442 20.5321 20.5321 20.8869 20.8869 k = 0.5000 0.2887 0.2104 ( 1044 PWs) bands (ev): 2.7949 2.7949 2.8240 2.8240 3.0990 3.0990 3.1565 3.1565 3.8364 3.8364 3.9840 3.9840 4.0755 4.0755 4.2088 4.2088 4.3878 4.3878 4.4111 4.4111 9.0358 9.0358 9.3356 9.3356 11.5455 11.5455 11.6115 11.6115 20.3323 20.3323 20.7247 20.7247 k = 0.5000 0.2887 0.2020 ( 1046 PWs) bands (ev): 2.7937 2.7937 2.8245 2.8245 3.0986 3.0986 3.1668 3.1668 3.8254 3.8254 3.9925 3.9925 4.0619 4.0619 4.2112 4.2112 4.3866 4.3866 4.4124 4.4124 8.9904 8.9904 9.3251 9.3251 11.6150 11.6150 11.6863 11.6863 20.1240 20.1240 20.5501 20.5501 k = 0.5000 0.2887 0.1936 ( 1046 PWs) bands (ev): 2.7929 2.7929 2.8245 2.8245 3.0983 3.0983 3.1782 3.1782 3.8145 3.8145 3.9998 3.9998 4.0491 4.0491 4.2127 4.2127 4.3854 4.3854 4.4137 4.4137 8.9446 8.9446 9.3119 9.3119 11.6919 11.6919 11.7680 11.7680 19.9095 19.9095 20.3665 20.3665 k = 0.5000 0.2887 0.1852 ( 1046 PWs) bands (ev): 2.7927 2.7927 2.8241 2.8241 3.0980 3.0980 3.1905 3.1905 3.8036 3.8036 4.0043 4.0043 4.0389 4.0389 4.2133 4.2133 4.3843 4.3843 4.4147 4.4147 8.8988 8.8988 9.2967 9.2967 11.7756 11.7756 11.8561 11.8561 19.6905 19.6905 20.1767 20.1767 k = 0.5000 0.2887 0.1768 ( 1042 PWs) bands (ev): 2.7929 2.7929 2.8234 2.8234 3.0976 3.0976 3.2037 3.2037 3.7929 3.7929 4.0023 4.0023 4.0348 4.0348 4.2129 4.2129 4.3833 4.3833 4.4156 4.4156 8.8534 8.8534 9.2800 9.2800 11.8653 11.8653 11.9504 11.9504 19.4687 19.4687 19.9826 19.9826 k = 0.5000 0.2887 0.1683 ( 1042 PWs) bands (ev): 2.7937 2.7937 2.8224 2.8224 3.0970 3.0970 3.2177 3.2177 3.7823 3.7823 3.9933 3.9933 4.0374 4.0374 4.2115 4.2115 4.3823 4.3823 4.4162 4.4162 8.8087 8.8087 9.2623 9.2623 11.9604 11.9604 12.0505 12.0505 19.2449 19.2449 19.7858 19.7858 k = 0.5000 0.2887 0.1599 ( 1042 PWs) bands (ev): 2.7951 2.7951 2.8211 2.8211 3.0961 3.0961 3.2323 3.2323 3.7719 3.7719 3.9815 3.9815 4.0426 4.0426 4.2094 4.2094 4.3814 4.3814 4.4167 4.4167 8.7651 8.7651 9.2439 9.2439 12.0604 12.0604 12.1560 12.1560 19.0202 19.0202 19.5879 19.5879 k = 0.5000 0.2887 0.1515 ( 1038 PWs) bands (ev): 2.7969 2.7969 2.8197 2.8197 3.0951 3.0951 3.2474 3.2474 3.7618 3.7618 3.9690 3.9690 4.0483 4.0483 4.2065 4.2065 4.3805 4.3805 4.4170 4.4170 8.7229 8.7229 9.2252 9.2252 12.1644 12.1644 12.2667 12.2667 18.7952 18.7952 19.3898 19.3898 k = 0.5000 0.2887 0.1431 ( 1038 PWs) bands (ev): 2.7993 2.7993 2.8180 2.8180 3.0936 3.0936 3.2630 3.2630 3.7520 3.7520 3.9565 3.9565 4.0539 4.0539 4.2029 4.2029 4.3797 4.3797 4.4172 4.4172 8.6821 8.6821 9.2066 9.2066 12.2721 12.2721 12.3824 12.3824 18.5706 18.5706 19.1925 19.1925 k = 0.5000 0.2887 0.1347 ( 1040 PWs) bands (ev): 2.8022 2.8022 2.8163 2.8163 3.0918 3.0918 3.2789 3.2789 3.7425 3.7425 3.9444 3.9444 4.0587 4.0587 4.1987 4.1987 4.3789 4.3789 4.4173 4.4173 8.6431 8.6431 9.1881 9.1881 12.3828 12.3828 12.5028 12.5028 18.3466 18.3466 18.9968 18.9968 k = 0.5000 0.2887 0.1263 ( 1040 PWs) bands (ev): 2.8054 2.8054 2.8148 2.8148 3.0896 3.0896 3.2950 3.2950 3.7335 3.7335 3.9328 3.9328 4.0628 4.0628 4.1942 4.1942 4.3782 4.3782 4.4173 4.4173 8.6059 8.6059 9.1702 9.1702 12.4959 12.4959 12.6278 12.6278 18.1238 18.1238 18.8034 18.8034 k = 0.5000 0.2887 0.1178 ( 1040 PWs) bands (ev): 2.8082 2.8082 2.8140 2.8140 3.0869 3.0869 3.3111 3.3111 3.7252 3.7252 3.9219 3.9219 4.0659 4.0659 4.1896 4.1896 4.3775 4.3775 4.4172 4.4172 8.5708 8.5708 9.1529 9.1529 12.6108 12.6108 12.7571 12.7571 17.9025 17.9025 18.6132 18.6132 k = 0.5000 0.2887 0.1094 ( 1034 PWs) bands (ev): 2.8086 2.8086 2.8162 2.8162 3.0839 3.0839 3.3270 3.3270 3.7176 3.7176 3.9117 3.9117 4.0678 4.0678 4.1851 4.1851 4.3768 4.3768 4.4170 4.4170 8.5377 8.5377 9.1364 9.1364 12.7269 12.7269 12.8907 12.8907 17.6830 17.6830 18.4269 18.4269 k = 0.5000 0.2887 0.1010 ( 1030 PWs) bands (ev): 2.8073 2.8073 2.8206 2.8206 3.0804 3.0804 3.3425 3.3425 3.7108 3.7108 3.9022 3.9022 4.0683 4.0683 4.1810 4.1810 4.3762 4.3762 4.4169 4.4169 8.5069 8.5069 9.1208 9.1208 12.8434 12.8434 13.0283 13.0283 17.4654 17.4654 18.2452 18.2452 k = 0.5000 0.2887 0.0926 ( 1038 PWs) bands (ev): 2.8055 2.8055 2.8257 2.8257 3.0765 3.0765 3.3573 3.3573 3.7049 3.7049 3.8934 3.8934 4.0670 4.0670 4.1772 4.1772 4.3755 4.3755 4.4167 4.4167 8.4783 8.4783 9.1062 9.1062 12.9596 12.9596 13.1698 13.1698 17.2502 17.2502 18.0690 18.0690 k = 0.5000 0.2887 0.0842 ( 1038 PWs) bands (ev): 2.8038 2.8038 2.8312 2.8312 3.0722 3.0722 3.3715 3.3715 3.7001 3.7001 3.8855 3.8855 4.0642 4.0642 4.1744 4.1744 4.3750 4.3750 4.4165 4.4165 8.4521 8.4521 9.0927 9.0927 13.0744 13.0744 13.3150 13.3150 17.0374 17.0374 17.8993 17.8993 k = 0.5000 0.2887 0.0758 ( 1038 PWs) bands (ev): 2.8021 2.8021 2.8370 2.8370 3.0677 3.0677 3.3846 3.3846 3.6965 3.6965 3.8784 3.8784 4.0599 4.0599 4.1723 4.1723 4.3745 4.3745 4.4164 4.4164 8.4282 8.4282 9.0803 9.0803 13.1869 13.1869 13.4638 13.4638 16.8275 16.8275 17.7371 17.7371 k = 0.5000 0.2887 0.0673 ( 1038 PWs) bands (ev): 2.8005 2.8005 2.8429 2.8429 3.0629 3.0629 3.3966 3.3966 3.6941 3.6941 3.8721 3.8721 4.0543 4.0543 4.1710 4.1710 4.3741 4.3741 4.4162 4.4162 8.4068 8.4068 9.0691 9.0691 13.2957 13.2957 13.6158 13.6158 16.6205 16.6205 17.5838 17.5838 k = 0.5000 0.2887 0.0589 ( 1038 PWs) bands (ev): 2.7990 2.7990 2.8488 2.8488 3.0580 3.0580 3.4073 3.4073 3.6929 3.6929 3.8665 3.8665 4.0477 4.0477 4.1704 4.1704 4.3737 4.3737 4.4161 4.4161 8.3879 8.3879 9.0592 9.0592 13.3994 13.3994 13.7709 13.7709 16.4170 16.4170 17.4410 17.4410 k = 0.5000 0.2887 0.0505 ( 1036 PWs) bands (ev): 2.7977 2.7977 2.8545 2.8545 3.0532 3.0532 3.4166 3.4166 3.6927 3.6927 3.8618 3.8618 4.0407 4.0407 4.1702 4.1702 4.3733 4.3733 4.4159 4.4159 8.3714 8.3714 9.0505 9.0505 13.4961 13.4961 13.9285 13.9285 16.2173 16.2173 17.3102 17.3102 k = 0.5000 0.2887 0.0421 ( 1028 PWs) bands (ev): 2.7968 2.7968 2.8599 2.8599 3.0485 3.0485 3.4244 3.4244 3.6935 3.6935 3.8578 3.8578 4.0337 4.0337 4.1704 4.1704 4.3731 4.3731 4.4159 4.4159 8.3574 8.3574 9.0432 9.0432 13.5839 13.5839 14.0878 14.0878 16.0224 16.0224 17.1937 17.1937 k = 0.5000 0.2887 0.0337 ( 1028 PWs) bands (ev): 2.7958 2.7958 2.8648 2.8648 3.0443 3.0443 3.4306 3.4306 3.6947 3.6947 3.8546 3.8546 4.0271 4.0271 4.1707 4.1707 4.3729 4.3729 4.4158 4.4158 8.3460 8.3460 9.0371 9.0371 13.6604 13.6604 14.2475 14.2475 15.8335 15.8335 17.0936 17.0936 k = 0.5000 0.2887 0.0253 ( 1032 PWs) bands (ev): 2.7951 2.7951 2.8688 2.8688 3.0406 3.0406 3.4353 3.4353 3.6962 3.6962 3.8521 3.8521 4.0214 4.0214 4.1710 4.1710 4.3727 4.3727 4.4157 4.4157 8.3371 8.3371 9.0324 9.0324 13.7234 13.7234 14.4049 14.4049 15.6533 15.6533 17.0123 17.0123 k = 0.5000 0.2887 0.0168 ( 1032 PWs) bands (ev): 2.7945 2.7945 2.8720 2.8720 3.0378 3.0378 3.4386 3.4386 3.6976 3.6976 3.8503 3.8503 4.0170 4.0170 4.1713 4.1713 4.3725 4.3725 4.4157 4.4157 8.3307 8.3307 9.0290 9.0290 13.7705 13.7705 14.5536 14.5536 15.4885 15.4885 16.9521 16.9521 k = 0.5000 0.2887 0.0084 ( 1028 PWs) bands (ev): 2.7942 2.7942 2.8739 2.8739 3.0361 3.0361 3.4406 3.4406 3.6987 3.6987 3.8493 3.8493 4.0142 4.0142 4.1715 4.1715 4.3725 4.3725 4.4157 4.4157 8.3269 8.3269 9.0270 9.0270 13.7996 13.7996 14.6759 14.6759 15.3564 15.3564 16.9151 16.9151 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 2.7941 2.7941 2.8746 2.8746 3.0355 3.0355 3.4413 3.4413 3.6990 3.6990 3.8490 3.8490 4.0132 4.0132 4.1716 4.1716 4.3724 4.3724 4.4157 4.4157 8.3256 8.3256 9.0263 9.0263 13.8095 13.8095 14.7291 14.7291 15.3000 15.3000 16.9026 16.9026 k = 0.3333 0.5774-0.0000 ( 1026 PWs) bands (ev): 3.1690 3.1690 3.2743 3.2743 3.3619 3.3619 3.3642 3.3642 3.5649 3.5649 3.6619 3.6619 3.8278 3.8278 3.9909 3.9909 4.0876 4.0876 4.1452 4.1452 11.1908 11.1908 11.2185 11.2185 11.3285 11.3285 16.1671 16.1671 17.2499 17.2499 17.3361 17.3361 k = 0.3333 0.5774 0.0084 ( 1026 PWs) bands (ev): 3.1693 3.1693 3.2743 3.2743 3.3620 3.3620 3.3635 3.3635 3.5655 3.5655 3.6615 3.6615 3.8276 3.8276 3.9909 3.9909 4.0878 4.0878 4.1452 4.1452 11.1920 11.1920 11.2197 11.2197 11.3303 11.3303 16.1588 16.1588 17.1325 17.1325 17.1875 17.1875 k = 0.3333 0.5774 0.0168 ( 1026 PWs) bands (ev): 3.1700 3.1700 3.2743 3.2743 3.3616 3.3616 3.3620 3.3620 3.5675 3.5675 3.6605 3.6605 3.8272 3.8272 3.9907 3.9907 4.0885 4.0885 4.1453 4.1453 11.1957 11.1957 11.2235 11.2235 11.3356 11.3356 16.1340 16.1340 16.9591 16.9591 17.0069 17.0069 k = 0.3333 0.5774 0.0253 ( 1026 PWs) bands (ev): 3.1712 3.1712 3.2744 3.2744 3.3585 3.3585 3.3621 3.3621 3.5708 3.5708 3.6589 3.6589 3.8265 3.8265 3.9903 3.9903 4.0896 4.0896 4.1456 4.1456 11.2019 11.2019 11.2298 11.2298 11.3443 11.3443 16.0936 16.0936 16.7826 16.7826 16.8277 16.8277 k = 0.3333 0.5774 0.0337 ( 1026 PWs) bands (ev): 3.1728 3.1728 3.2746 3.2746 3.3544 3.3544 3.3622 3.3622 3.5751 3.5751 3.6566 3.6566 3.8256 3.8256 3.9897 3.9897 4.0912 4.0912 4.1459 4.1459 11.2106 11.2106 11.2385 11.2385 11.3566 11.3566 16.0389 16.0389 16.6072 16.6072 16.6511 16.6511 k = 0.3333 0.5774 0.0421 ( 1026 PWs) bands (ev): 3.1749 3.1749 3.2748 3.2748 3.3494 3.3494 3.3623 3.3623 3.5804 3.5804 3.6538 3.6538 3.8244 3.8244 3.9887 3.9887 4.0934 4.0934 4.1464 4.1464 11.2216 11.2216 11.2498 11.2498 11.3723 11.3723 15.9713 15.9713 16.4342 16.4342 16.4774 16.4774 k = 0.3333 0.5774 0.0505 ( 1032 PWs) bands (ev): 3.1773 3.1773 3.2750 3.2750 3.3437 3.3437 3.3624 3.3624 3.5864 3.5864 3.6505 3.6505 3.8229 3.8229 3.9873 3.9873 4.0961 4.0961 4.1469 4.1469 11.2352 11.2352 11.2636 11.2636 11.3915 11.3915 15.8924 15.8924 16.2639 16.2639 16.3067 16.3067 k = 0.3333 0.5774 0.0589 ( 1038 PWs) bands (ev): 3.1802 3.1802 3.2752 3.2752 3.3374 3.3374 3.3625 3.3625 3.5930 3.5930 3.6467 3.6467 3.8212 3.8212 3.9854 3.9854 4.0993 4.0993 4.1474 4.1474 11.2512 11.2512 11.2798 11.2798 11.4141 11.4141 15.8039 15.8039 16.0964 16.0964 16.1391 16.1391 k = 0.3333 0.5774 0.0673 ( 1041 PWs) bands (ev): 3.1836 3.1836 3.2755 3.2755 3.3306 3.3306 3.3626 3.3626 3.6001 3.6001 3.6427 3.6427 3.8192 3.8192 3.9831 3.9831 4.1032 4.1032 4.1480 4.1480 11.2696 11.2696 11.2986 11.2986 11.4402 11.4402 15.7072 15.7072 15.9320 15.9320 15.9749 15.9749 k = 0.3333 0.5774 0.0758 ( 1041 PWs) bands (ev): 3.1874 3.1874 3.2758 3.2758 3.3236 3.3236 3.3628 3.3628 3.6076 3.6076 3.6383 3.6383 3.8169 3.8169 3.9802 3.9802 4.1077 4.1077 4.1488 4.1488 11.2905 11.2905 11.3198 11.3198 11.4697 11.4697 15.6037 15.6037 15.7706 15.7706 15.8141 15.8141 k = 0.3333 0.5774 0.0842 ( 1041 PWs) bands (ev): 3.1915 3.1915 3.2762 3.2762 3.3165 3.3165 3.3630 3.3630 3.6153 3.6153 3.6338 3.6338 3.8144 3.8144 3.9769 3.9769 4.1127 4.1127 4.1496 4.1496 11.3137 11.3137 11.3434 11.3434 11.5025 11.5025 15.4945 15.4945 15.6125 15.6125 15.6570 15.6570 k = 0.3333 0.5774 0.0926 ( 1041 PWs) bands (ev): 3.1960 3.1960 3.2766 3.2766 3.3092 3.3092 3.3632 3.3632 3.6231 3.6231 3.6291 3.6291 3.8116 3.8116 3.9731 3.9731 4.1181 4.1181 4.1505 4.1505 11.3394 11.3394 11.3695 11.3695 11.5387 11.5387 15.3803 15.3803 15.4576 15.4576 15.5040 15.5040 k = 0.3333 0.5774 0.1010 ( 1041 PWs) bands (ev): 3.2008 3.2008 3.2771 3.2771 3.3019 3.3019 3.3633 3.3633 3.6243 3.6243 3.6309 3.6309 3.8085 3.8085 3.9689 3.9689 4.1239 4.1239 4.1515 4.1515 11.3674 11.3674 11.3980 11.3980 11.5782 11.5782 15.2615 15.2615 15.3061 15.3061 15.3557 15.3557 k = 0.3333 0.5774 0.1094 ( 1038 PWs) bands (ev): 3.2060 3.2060 3.2776 3.2776 3.2948 3.2948 3.3635 3.3635 3.6196 3.6196 3.6386 3.6386 3.8051 3.8051 3.9645 3.9645 4.1299 4.1299 4.1525 4.1525 11.3977 11.3977 11.4289 11.4289 11.6209 11.6209 15.1382 15.1382 15.1580 15.1580 15.2129 15.2129 k = 0.3333 0.5774 0.1178 ( 1038 PWs) bands (ev): 3.2113 3.2113 3.2781 3.2781 3.2877 3.2877 3.3636 3.3636 3.6150 3.6150 3.6463 3.6463 3.8013 3.8013 3.9598 3.9598 4.1362 4.1362 4.1536 4.1536 11.4303 11.4303 11.4620 11.4620 11.6669 11.6669 15.0104 15.0104 15.0134 15.0134 15.0763 15.0763 k = 0.3333 0.5774 0.1263 ( 1044 PWs) bands (ev): 3.2168 3.2168 3.2786 3.2786 3.2807 3.2807 3.3637 3.3637 3.6104 3.6104 3.6538 3.6538 3.7972 3.7972 3.9550 3.9550 4.1425 4.1425 4.1547 4.1547 11.4651 11.4651 11.4975 11.4975 11.7161 11.7161 14.8724 14.8724 14.8796 14.8796 14.9453 14.9453 k = 0.3333 0.5774 0.1347 ( 1044 PWs) bands (ev): 3.2225 3.2225 3.2740 3.2740 3.2792 3.2792 3.3638 3.3638 3.6061 3.6061 3.6610 3.6610 3.7927 3.7927 3.9501 3.9501 4.1488 4.1488 4.1558 4.1558 11.5020 11.5020 11.5351 11.5351 11.7685 11.7685 14.7352 14.7352 14.7479 14.7479 14.8182 14.8182 k = 0.3333 0.5774 0.1431 ( 1044 PWs) bands (ev): 3.2283 3.2283 3.2675 3.2675 3.2798 3.2798 3.3638 3.3638 3.6020 3.6020 3.6680 3.6680 3.7880 3.7880 3.9453 3.9453 4.1552 4.1552 4.1569 4.1569 11.5409 11.5409 11.5749 11.5749 11.8240 11.8240 14.6018 14.6018 14.6174 14.6174 14.6934 14.6934 k = 0.3333 0.5774 0.1515 ( 1044 PWs) bands (ev): 3.2342 3.2342 3.2614 3.2614 3.2804 3.2804 3.3638 3.3638 3.5982 3.5982 3.6747 3.6747 3.7829 3.7829 3.9406 3.9406 4.1581 4.1581 4.1613 4.1613 11.5818 11.5818 11.6166 11.6166 11.8826 11.8826 14.4725 14.4725 14.4895 14.4895 14.5702 14.5702 k = 0.3333 0.5774 0.1599 ( 1044 PWs) bands (ev): 3.2401 3.2401 3.2555 3.2555 3.2811 3.2811 3.3638 3.3638 3.5947 3.5947 3.6810 3.6810 3.7776 3.7776 3.9361 3.9361 4.1592 4.1592 4.1674 4.1674 11.6244 11.6244 11.6601 11.6601 11.9442 11.9442 14.3473 14.3473 14.3649 14.3649 14.4484 14.4484 k = 0.3333 0.5774 0.1683 ( 1044 PWs) bands (ev): 3.2458 3.2458 3.2500 3.2500 3.2818 3.2818 3.3637 3.3637 3.5916 3.5916 3.6870 3.6870 3.7720 3.7720 3.9318 3.9318 4.1603 4.1603 4.1731 4.1731 11.6686 11.6686 11.7053 11.7053 12.0088 12.0088 14.2266 14.2266 14.2440 14.2440 14.3278 14.3278 k = 0.3333 0.5774 0.1768 ( 1044 PWs) bands (ev): 3.2449 3.2449 3.2515 3.2515 3.2826 3.2826 3.3635 3.3635 3.5889 3.5889 3.6925 3.6925 3.7662 3.7662 3.9278 3.9278 4.1614 4.1614 4.1786 4.1786 11.7140 11.7140 11.7519 11.7519 12.0764 12.0764 14.1106 14.1106 14.1274 14.1274 14.2085 14.2085 k = 0.3333 0.5774 0.1852 ( 1044 PWs) bands (ev): 3.2402 3.2402 3.2568 3.2568 3.2834 3.2834 3.3634 3.3634 3.5866 3.5866 3.6977 3.6977 3.7603 3.7603 3.9241 3.9241 4.1624 4.1624 4.1838 4.1838 11.7605 11.7605 11.7996 11.7996 12.1468 12.1468 13.9997 13.9997 14.0155 14.0155 14.0908 14.0908 k = 0.3333 0.5774 0.1936 ( 1050 PWs) bands (ev): 3.2358 3.2358 3.2618 3.2618 3.2843 3.2843 3.3631 3.3631 3.5847 3.5847 3.7024 3.7024 3.7543 3.7543 3.9208 3.9208 4.1633 4.1633 4.1885 4.1885 11.8075 11.8075 11.8479 11.8479 12.2201 12.2201 13.8943 13.8943 13.9085 13.9085 13.9748 13.9748 k = 0.3333 0.5774 0.2020 ( 1044 PWs) bands (ev): 3.2320 3.2320 3.2664 3.2664 3.2854 3.2854 3.3629 3.3629 3.5832 3.5832 3.7066 3.7066 3.7486 3.7486 3.9178 3.9178 4.1642 4.1642 4.1929 4.1929 11.8545 11.8545 11.8964 11.8964 12.2962 12.2962 13.7950 13.7950 13.8067 13.8067 13.8610 13.8610 k = 0.3333 0.5774 0.2104 ( 1044 PWs) bands (ev): 3.2285 3.2285 3.2703 3.2703 3.2866 3.2866 3.3626 3.3626 3.5820 3.5820 3.7104 3.7104 3.7429 3.7429 3.9152 3.9152 4.1650 4.1650 4.1968 4.1968 11.9007 11.9007 11.9442 11.9442 12.3750 12.3750 13.7024 13.7024 13.7099 13.7099 13.7507 13.7507 k = 0.3333 0.5774 0.2188 ( 1038 PWs) bands (ev): 3.2255 3.2255 3.2736 3.2736 3.2881 3.2881 3.3624 3.3624 3.5813 3.5813 3.7138 3.7138 3.7376 3.7376 3.9130 3.9130 4.1658 4.1658 4.2003 4.2003 11.9454 11.9454 11.9906 11.9906 12.4565 12.4565 13.6145 13.6145 13.6177 13.6177 13.6483 13.6483 k = 0.3333 0.5774 0.2273 ( 1032 PWs) bands (ev): 3.2229 3.2229 3.2761 3.2761 3.2898 3.2898 3.3621 3.3621 3.5808 3.5808 3.7166 3.7166 3.7329 3.7329 3.9111 3.9111 4.1666 4.1666 4.2034 4.2034 11.9874 11.9874 12.0342 12.0342 12.5407 12.5407 13.5137 13.5137 13.5418 13.5418 13.5620 13.5620 k = 0.3333 0.5774 0.2357 ( 1026 PWs) bands (ev): 3.2208 3.2208 3.2779 3.2779 3.2915 3.2915 3.3619 3.3619 3.5805 3.5805 3.7189 3.7189 3.7288 3.7288 3.9096 3.9096 4.1672 4.1672 4.2060 4.2060 12.0252 12.0252 12.0738 12.0738 12.6273 12.6273 13.4094 13.4094 13.4761 13.4761 13.4915 13.4915 k = 0.3333 0.5774 0.2441 ( 1026 PWs) bands (ev): 3.2192 3.2192 3.2791 3.2791 3.2931 3.2931 3.3616 3.3616 3.5804 3.5804 3.7207 3.7207 3.7253 3.7253 3.9084 3.9084 4.1676 4.1676 4.2079 4.2079 12.0573 12.0573 12.1075 12.1075 12.7163 12.7163 13.3054 13.3054 13.4224 13.4224 13.4349 13.4349 k = 0.3333 0.5774 0.2525 ( 1026 PWs) bands (ev): 3.2180 3.2180 3.2799 3.2799 3.2944 3.2944 3.3615 3.3615 3.5803 3.5803 3.7220 3.7220 3.7228 3.7228 3.9075 3.9075 4.1679 4.1679 4.2093 4.2093 12.0820 12.0820 12.1335 12.1335 12.8074 12.8074 13.2033 13.2033 13.3823 13.3823 13.3929 13.3929 k = 0.3333 0.5774 0.2609 ( 1032 PWs) bands (ev): 3.2172 3.2172 3.2802 3.2802 3.2951 3.2951 3.3613 3.3613 3.5803 3.5803 3.7212 3.7212 3.7228 3.7228 3.9070 3.9070 4.1681 4.1681 4.2101 4.2101 12.0976 12.0976 12.1500 12.1500 12.8993 12.8993 13.1047 13.1047 13.3574 13.3574 13.3669 13.3669 k = 0.3333 0.5774 0.2693 ( 1038 PWs) bands (ev): 3.2169 3.2169 3.2803 3.2803 3.2954 3.2954 3.3612 3.3612 3.5802 3.5802 3.7206 3.7206 3.7230 3.7230 3.9068 3.9068 4.1681 4.1681 4.2103 4.2103 12.1029 12.1029 12.1557 12.1557 12.9695 12.9695 13.0323 13.0323 13.3490 13.3490 13.3580 13.3580 Writing output data file Zn.save init_run : 0.59s CPU 0.70s WALL ( 1 calls) electrons : 52.00s CPU 56.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 51.99s CPU 56.82s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 481 calls) cegterg : 47.58s CPU 48.67s WALL ( 526 calls) Called by sum_band: Called by *egterg: h_psi : 21.11s CPU 21.85s WALL ( 7209 calls) s_psi : 1.07s CPU 1.06s WALL ( 7209 calls) g_psi : 0.03s CPU 0.04s WALL ( 6202 calls) cdiaghg : 25.44s CPU 25.77s WALL ( 6683 calls) cegterg:over : 1.36s CPU 1.39s WALL ( 6202 calls) cegterg:upda : 0.93s CPU 0.91s WALL ( 6202 calls) cegterg:last : 0.46s CPU 0.51s WALL ( 1247 calls) cdiaghg:chol : 1.16s CPU 1.26s WALL ( 6683 calls) cdiaghg:inve : 0.77s CPU 0.73s WALL ( 6683 calls) cdiaghg:para : 1.43s CPU 1.44s WALL ( 13366 calls) Called by h_psi: h_psi:vloc : 18.46s CPU 19.19s WALL ( 7209 calls) h_psi:vnl : 2.61s CPU 2.63s WALL ( 7209 calls) add_vuspsi : 1.37s CPU 1.44s WALL ( 7209 calls) General routines calbec : 1.23s CPU 1.16s WALL ( 7209 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.42s CPU 18.15s WALL ( 511216 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 962 calls) Parallel routines fft_scatter : 8.58s CPU 9.05s WALL ( 511239 calls) PWSCF : 1m 1.13s CPU 2m28.64s WALL This run was terminated on: 21:20:29 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=