Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:26:25 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: ./ZrAg.save/ 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 18 18 5 702 702 115 Max 19 19 6 713 713 124 Sum 673 673 213 25529 25529 4275 bravais-lattice index = 14 lattice parameter (alat) = 6.5536 a.u. unit-cell volume = 535.9151 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.553570 celldm(2)= 1.000000 celldm(3)= 1.903979 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.903979 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.525216 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Zr 4.00 91.22400 Zr( 1.00) Ag 11.00 107.86820 Ag( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 395 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0025316 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0025316 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0025316 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0025316 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0025316 k( 7) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0025316 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0025316 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0025316 k( 10) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0025316 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0025316 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0025316 k( 13) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0025316 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0025316 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0025316 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0025316 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0025316 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0025316 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0025316 k( 20) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0025316 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0025316 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0025316 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0025316 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025316 k( 25) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0025316 k( 26) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0025316 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0025316 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0025316 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0025316 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0025316 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0025316 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0025316 k( 33) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0025316 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0025316 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0025316 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0025316 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0025316 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0025316 k( 39) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0025316 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0025316 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0025316 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0025316 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0025316 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0025316 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0025316 k( 46) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0025316 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025316 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025316 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0025316 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0025316 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0025316 k( 52) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0025316 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0025316 k( 54) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0025316 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0025316 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0025316 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0025316 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0025316 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0025316 k( 60) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0025316 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0025316 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0025316 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0025316 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0025316 k( 65) = ( 0.1847826 0.5000000 -0.0000000), wk = 0.0025316 k( 66) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0025316 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0025316 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0025316 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0025316 k( 70) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0025316 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025316 k( 72) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0025316 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0025316 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0025316 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0025316 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0025316 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0025316 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0025316 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0025316 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0025316 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0025316 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0025316 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0025316 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0025316 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0025316 k( 86) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0025316 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0025316 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0025316 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0025316 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0025316 k( 91) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0025316 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0025316 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0025316 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 96) = ( 0.4923077 0.4923077 -0.0000000), wk = 0.0025316 k( 97) = ( 0.4846154 0.4846154 -0.0000000), wk = 0.0025316 k( 98) = ( 0.4769231 0.4769231 -0.0000000), wk = 0.0025316 k( 99) = ( 0.4692308 0.4692308 -0.0000000), wk = 0.0025316 k( 100) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0025316 k( 101) = ( 0.4538462 0.4538461 -0.0000000), wk = 0.0025316 k( 102) = ( 0.4461539 0.4461538 -0.0000000), wk = 0.0025316 k( 103) = ( 0.4384615 0.4384615 -0.0000000), wk = 0.0025316 k( 104) = ( 0.4307692 0.4307692 -0.0000000), wk = 0.0025316 k( 105) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0025316 k( 106) = ( 0.4153846 0.4153846 -0.0000000), wk = 0.0025316 k( 107) = ( 0.4076923 0.4076923 -0.0000000), wk = 0.0025316 k( 108) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0025316 k( 109) = ( 0.3923077 0.3923077 -0.0000000), wk = 0.0025316 k( 110) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0025316 k( 111) = ( 0.3769231 0.3769231 -0.0000000), wk = 0.0025316 k( 112) = ( 0.3692308 0.3692308 -0.0000000), wk = 0.0025316 k( 113) = ( 0.3615385 0.3615385 -0.0000000), wk = 0.0025316 k( 114) = ( 0.3538462 0.3538461 -0.0000000), wk = 0.0025316 k( 115) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0025316 k( 116) = ( 0.3384615 0.3384615 -0.0000000), wk = 0.0025316 k( 117) = ( 0.3307692 0.3307692 -0.0000000), wk = 0.0025316 k( 118) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0025316 k( 119) = ( 0.3153846 0.3153846 -0.0000000), wk = 0.0025316 k( 120) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0025316 k( 121) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025316 k( 122) = ( 0.2923077 0.2923077 -0.0000000), wk = 0.0025316 k( 123) = ( 0.2846154 0.2846154 -0.0000000), wk = 0.0025316 k( 124) = ( 0.2769231 0.2769231 -0.0000000), wk = 0.0025316 k( 125) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0025316 k( 126) = ( 0.2615385 0.2615385 -0.0000000), wk = 0.0025316 k( 127) = ( 0.2538461 0.2538461 -0.0000000), wk = 0.0025316 k( 128) = ( 0.2461539 0.2461538 -0.0000000), wk = 0.0025316 k( 129) = ( 0.2384615 0.2384615 -0.0000000), wk = 0.0025316 k( 130) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0025316 k( 131) = ( 0.2230769 0.2230769 -0.0000000), wk = 0.0025316 k( 132) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0025316 k( 133) = ( 0.2076923 0.2076923 -0.0000000), wk = 0.0025316 k( 134) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025316 k( 135) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0025316 k( 136) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0025316 k( 137) = ( 0.1769231 0.1769231 -0.0000000), wk = 0.0025316 k( 138) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0025316 k( 139) = ( 0.1615385 0.1615385 -0.0000000), wk = 0.0025316 k( 140) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0025316 k( 141) = ( 0.1461539 0.1461538 -0.0000000), wk = 0.0025316 k( 142) = ( 0.1384615 0.1384615 -0.0000000), wk = 0.0025316 k( 143) = ( 0.1307692 0.1307692 -0.0000000), wk = 0.0025316 k( 144) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0025316 k( 145) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0025316 k( 146) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0025316 k( 147) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025316 k( 148) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0025316 k( 149) = ( 0.0846154 0.0846154 -0.0000000), wk = 0.0025316 k( 150) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0025316 k( 151) = ( 0.0692308 0.0692308 -0.0000000), wk = 0.0025316 k( 152) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0025316 k( 153) = ( 0.0538462 0.0538461 -0.0000000), wk = 0.0025316 k( 154) = ( 0.0461539 0.0461538 -0.0000000), wk = 0.0025316 k( 155) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0025316 k( 156) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0025316 k( 157) = ( 0.0230769 0.0230769 -0.0000000), wk = 0.0025316 k( 158) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0025316 k( 159) = ( 0.0076923 0.0076923 -0.0000000), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.0109420), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.0218840), wk = 0.0025316 k( 164) = ( 0.0000000 0.0000000 0.0328260), wk = 0.0025316 k( 165) = ( 0.0000000 0.0000000 0.0437680), wk = 0.0025316 k( 166) = ( 0.0000000 0.0000000 0.0547100), wk = 0.0025316 k( 167) = ( 0.0000000 0.0000000 0.0656520), wk = 0.0025316 k( 168) = ( 0.0000000 0.0000000 0.0765940), wk = 0.0025316 k( 169) = ( 0.0000000 0.0000000 0.0875360), wk = 0.0025316 k( 170) = ( 0.0000000 0.0000000 0.0984780), wk = 0.0025316 k( 171) = ( 0.0000000 0.0000000 0.1094200), wk = 0.0025316 k( 172) = ( 0.0000000 0.0000000 0.1203620), wk = 0.0025316 k( 173) = ( 0.0000000 0.0000000 0.1313040), wk = 0.0025316 k( 174) = ( 0.0000000 0.0000000 0.1422459), wk = 0.0025316 k( 175) = ( 0.0000000 0.0000000 0.1531879), wk = 0.0025316 k( 176) = ( 0.0000000 0.0000000 0.1641299), wk = 0.0025316 k( 177) = ( 0.0000000 0.0000000 0.1750719), wk = 0.0025316 k( 178) = ( 0.0000000 0.0000000 0.1860139), wk = 0.0025316 k( 179) = ( 0.0000000 0.0000000 0.1969559), wk = 0.0025316 k( 180) = ( 0.0000000 0.0000000 0.2078979), wk = 0.0025316 k( 181) = ( 0.0000000 0.0000000 0.2188399), wk = 0.0025316 k( 182) = ( 0.0000000 0.0000000 0.2297819), wk = 0.0025316 k( 183) = ( 0.0000000 0.0000000 0.2407239), wk = 0.0025316 k( 184) = ( 0.0000000 0.0000000 0.2516659), wk = 0.0025316 k( 185) = ( 0.0000000 0.0000000 0.2626079), wk = 0.0025316 k( 186) = ( 0.0000000 0.0000000 0.2626079), wk = 0.0025316 k( 187) = ( 0.0000000 0.0108696 0.2626079), wk = 0.0025316 k( 188) = ( 0.0000000 0.0217391 0.2626079), wk = 0.0025316 k( 189) = ( 0.0000000 0.0326087 0.2626079), wk = 0.0025316 k( 190) = ( 0.0000000 0.0434783 0.2626079), wk = 0.0025316 k( 191) = ( 0.0000000 0.0543478 0.2626079), wk = 0.0025316 k( 192) = ( 0.0000000 0.0652174 0.2626079), wk = 0.0025316 k( 193) = ( 0.0000000 0.0760870 0.2626079), wk = 0.0025316 k( 194) = ( 0.0000000 0.0869565 0.2626079), wk = 0.0025316 k( 195) = ( 0.0000000 0.0978261 0.2626079), wk = 0.0025316 k( 196) = ( 0.0000000 0.1086957 0.2626079), wk = 0.0025316 k( 197) = ( 0.0000000 0.1195652 0.2626079), wk = 0.0025316 k( 198) = ( 0.0000000 0.1304348 0.2626079), wk = 0.0025316 k( 199) = ( 0.0000000 0.1413043 0.2626079), wk = 0.0025316 k( 200) = ( 0.0000000 0.1521739 0.2626079), wk = 0.0025316 k( 201) = ( 0.0000000 0.1630435 0.2626079), wk = 0.0025316 k( 202) = ( 0.0000000 0.1739130 0.2626079), wk = 0.0025316 k( 203) = ( 0.0000000 0.1847826 0.2626079), wk = 0.0025316 k( 204) = ( 0.0000000 0.1956522 0.2626079), wk = 0.0025316 k( 205) = ( 0.0000000 0.2065217 0.2626079), wk = 0.0025316 k( 206) = ( 0.0000000 0.2173913 0.2626079), wk = 0.0025316 k( 207) = ( 0.0000000 0.2282609 0.2626079), wk = 0.0025316 k( 208) = ( 0.0000000 0.2391304 0.2626079), wk = 0.0025316 k( 209) = ( 0.0000000 0.2500000 0.2626079), wk = 0.0025316 k( 210) = ( 0.0000000 0.2608696 0.2626079), wk = 0.0025316 k( 211) = ( 0.0000000 0.2717391 0.2626079), wk = 0.0025316 k( 212) = ( 0.0000000 0.2826087 0.2626079), wk = 0.0025316 k( 213) = ( 0.0000000 0.2934783 0.2626079), wk = 0.0025316 k( 214) = ( 0.0000000 0.3043478 0.2626079), wk = 0.0025316 k( 215) = ( 0.0000000 0.3152174 0.2626079), wk = 0.0025316 k( 216) = ( 0.0000000 0.3260870 0.2626079), wk = 0.0025316 k( 217) = ( 0.0000000 0.3369565 0.2626079), wk = 0.0025316 k( 218) = ( 0.0000000 0.3478261 0.2626079), wk = 0.0025316 k( 219) = ( 0.0000000 0.3586956 0.2626079), wk = 0.0025316 k( 220) = ( 0.0000000 0.3695652 0.2626079), wk = 0.0025316 k( 221) = ( 0.0000000 0.3804348 0.2626079), wk = 0.0025316 k( 222) = ( 0.0000000 0.3913044 0.2626079), wk = 0.0025316 k( 223) = ( 0.0000000 0.4021739 0.2626079), wk = 0.0025316 k( 224) = ( 0.0000000 0.4130435 0.2626079), wk = 0.0025316 k( 225) = ( 0.0000000 0.4239130 0.2626079), wk = 0.0025316 k( 226) = ( 0.0000000 0.4347826 0.2626079), wk = 0.0025316 k( 227) = ( 0.0000000 0.4456522 0.2626079), wk = 0.0025316 k( 228) = ( 0.0000000 0.4565217 0.2626079), wk = 0.0025316 k( 229) = ( 0.0000000 0.4673913 0.2626079), wk = 0.0025316 k( 230) = ( 0.0000000 0.4782609 0.2626079), wk = 0.0025316 k( 231) = ( 0.0000000 0.4891304 0.2626079), wk = 0.0025316 k( 232) = ( 0.0000000 0.5000000 0.2626079), wk = 0.0025316 k( 233) = ( 0.0000000 0.5000000 0.2626079), wk = 0.0025316 k( 234) = ( 0.0108696 0.5000000 0.2626079), wk = 0.0025316 k( 235) = ( 0.0217391 0.5000000 0.2626079), wk = 0.0025316 k( 236) = ( 0.0326087 0.5000000 0.2626079), wk = 0.0025316 k( 237) = ( 0.0434783 0.5000000 0.2626079), wk = 0.0025316 k( 238) = ( 0.0543478 0.5000000 0.2626079), wk = 0.0025316 k( 239) = ( 0.0652174 0.5000000 0.2626079), wk = 0.0025316 k( 240) = ( 0.0760870 0.5000000 0.2626079), wk = 0.0025316 k( 241) = ( 0.0869565 0.5000000 0.2626079), wk = 0.0025316 k( 242) = ( 0.0978261 0.5000000 0.2626079), wk = 0.0025316 k( 243) = ( 0.1086957 0.5000000 0.2626079), wk = 0.0025316 k( 244) = ( 0.1195652 0.5000000 0.2626079), wk = 0.0025316 k( 245) = ( 0.1304348 0.5000000 0.2626079), wk = 0.0025316 k( 246) = ( 0.1413043 0.5000000 0.2626079), wk = 0.0025316 k( 247) = ( 0.1521739 0.5000000 0.2626079), wk = 0.0025316 k( 248) = ( 0.1630435 0.5000000 0.2626079), wk = 0.0025316 k( 249) = ( 0.1739130 0.5000000 0.2626079), wk = 0.0025316 k( 250) = ( 0.1847826 0.5000000 0.2626079), wk = 0.0025316 k( 251) = ( 0.1956522 0.5000000 0.2626079), wk = 0.0025316 k( 252) = ( 0.2065217 0.5000000 0.2626079), wk = 0.0025316 k( 253) = ( 0.2173913 0.5000000 0.2626079), wk = 0.0025316 k( 254) = ( 0.2282609 0.5000000 0.2626079), wk = 0.0025316 k( 255) = ( 0.2391304 0.5000000 0.2626079), wk = 0.0025316 k( 256) = ( 0.2500000 0.5000000 0.2626079), wk = 0.0025316 k( 257) = ( 0.2608696 0.5000000 0.2626079), wk = 0.0025316 k( 258) = ( 0.2717391 0.5000000 0.2626079), wk = 0.0025316 k( 259) = ( 0.2826087 0.5000000 0.2626079), wk = 0.0025316 k( 260) = ( 0.2934783 0.5000000 0.2626079), wk = 0.0025316 k( 261) = ( 0.3043478 0.5000000 0.2626079), wk = 0.0025316 k( 262) = ( 0.3152174 0.5000000 0.2626079), wk = 0.0025316 k( 263) = ( 0.3260870 0.5000000 0.2626079), wk = 0.0025316 k( 264) = ( 0.3369565 0.5000000 0.2626079), wk = 0.0025316 k( 265) = ( 0.3478261 0.5000000 0.2626079), wk = 0.0025316 k( 266) = ( 0.3586956 0.5000000 0.2626079), wk = 0.0025316 k( 267) = ( 0.3695652 0.5000000 0.2626079), wk = 0.0025316 k( 268) = ( 0.3804348 0.5000000 0.2626079), wk = 0.0025316 k( 269) = ( 0.3913044 0.5000000 0.2626079), wk = 0.0025316 k( 270) = ( 0.4021739 0.5000000 0.2626079), wk = 0.0025316 k( 271) = ( 0.4130435 0.5000000 0.2626079), wk = 0.0025316 k( 272) = ( 0.4239130 0.5000000 0.2626079), wk = 0.0025316 k( 273) = ( 0.4347826 0.5000000 0.2626079), wk = 0.0025316 k( 274) = ( 0.4456522 0.5000000 0.2626079), wk = 0.0025316 k( 275) = ( 0.4565217 0.5000000 0.2626079), wk = 0.0025316 k( 276) = ( 0.4673913 0.5000000 0.2626079), wk = 0.0025316 k( 277) = ( 0.4782609 0.5000000 0.2626079), wk = 0.0025316 k( 278) = ( 0.4891304 0.5000000 0.2626079), wk = 0.0025316 k( 279) = ( 0.5000000 0.5000000 0.2626079), wk = 0.0025316 k( 280) = ( 0.5000000 0.5000000 0.2626079), wk = 0.0025316 k( 281) = ( 0.4923077 0.4923077 0.2626079), wk = 0.0025316 k( 282) = ( 0.4846154 0.4846154 0.2626079), wk = 0.0025316 k( 283) = ( 0.4769231 0.4769231 0.2626079), wk = 0.0025316 k( 284) = ( 0.4692308 0.4692308 0.2626079), wk = 0.0025316 k( 285) = ( 0.4615385 0.4615385 0.2626079), wk = 0.0025316 k( 286) = ( 0.4538462 0.4538461 0.2626079), wk = 0.0025316 k( 287) = ( 0.4461539 0.4461538 0.2626079), wk = 0.0025316 k( 288) = ( 0.4384615 0.4384615 0.2626079), wk = 0.0025316 k( 289) = ( 0.4307692 0.4307692 0.2626079), wk = 0.0025316 k( 290) = ( 0.4230769 0.4230769 0.2626079), wk = 0.0025316 k( 291) = ( 0.4153846 0.4153846 0.2626079), wk = 0.0025316 k( 292) = ( 0.4076923 0.4076923 0.2626079), wk = 0.0025316 k( 293) = ( 0.4000000 0.4000000 0.2626079), wk = 0.0025316 k( 294) = ( 0.3923077 0.3923077 0.2626079), wk = 0.0025316 k( 295) = ( 0.3846154 0.3846154 0.2626079), wk = 0.0025316 k( 296) = ( 0.3769231 0.3769231 0.2626079), wk = 0.0025316 k( 297) = ( 0.3692308 0.3692308 0.2626079), wk = 0.0025316 k( 298) = ( 0.3615385 0.3615385 0.2626079), wk = 0.0025316 k( 299) = ( 0.3538462 0.3538461 0.2626079), wk = 0.0025316 k( 300) = ( 0.3461538 0.3461538 0.2626079), wk = 0.0025316 k( 301) = ( 0.3384615 0.3384615 0.2626079), wk = 0.0025316 k( 302) = ( 0.3307692 0.3307692 0.2626079), wk = 0.0025316 k( 303) = ( 0.3230769 0.3230769 0.2626079), wk = 0.0025316 k( 304) = ( 0.3153846 0.3153846 0.2626079), wk = 0.0025316 k( 305) = ( 0.3076923 0.3076923 0.2626079), wk = 0.0025316 k( 306) = ( 0.3000000 0.3000000 0.2626079), wk = 0.0025316 k( 307) = ( 0.2923077 0.2923077 0.2626079), wk = 0.0025316 k( 308) = ( 0.2846154 0.2846154 0.2626079), wk = 0.0025316 k( 309) = ( 0.2769231 0.2769231 0.2626079), wk = 0.0025316 k( 310) = ( 0.2692308 0.2692308 0.2626079), wk = 0.0025316 k( 311) = ( 0.2615385 0.2615385 0.2626079), wk = 0.0025316 k( 312) = ( 0.2538461 0.2538461 0.2626079), wk = 0.0025316 k( 313) = ( 0.2461539 0.2461538 0.2626079), wk = 0.0025316 k( 314) = ( 0.2384615 0.2384615 0.2626079), wk = 0.0025316 k( 315) = ( 0.2307692 0.2307692 0.2626079), wk = 0.0025316 k( 316) = ( 0.2230769 0.2230769 0.2626079), wk = 0.0025316 k( 317) = ( 0.2153846 0.2153846 0.2626079), wk = 0.0025316 k( 318) = ( 0.2076923 0.2076923 0.2626079), wk = 0.0025316 k( 319) = ( 0.2000000 0.2000000 0.2626079), wk = 0.0025316 k( 320) = ( 0.1923077 0.1923077 0.2626079), wk = 0.0025316 k( 321) = ( 0.1846154 0.1846154 0.2626079), wk = 0.0025316 k( 322) = ( 0.1769231 0.1769231 0.2626079), wk = 0.0025316 k( 323) = ( 0.1692308 0.1692308 0.2626079), wk = 0.0025316 k( 324) = ( 0.1615385 0.1615385 0.2626079), wk = 0.0025316 k( 325) = ( 0.1538461 0.1538461 0.2626079), wk = 0.0025316 k( 326) = ( 0.1461539 0.1461538 0.2626079), wk = 0.0025316 k( 327) = ( 0.1384615 0.1384615 0.2626079), wk = 0.0025316 k( 328) = ( 0.1307692 0.1307692 0.2626079), wk = 0.0025316 k( 329) = ( 0.1230769 0.1230769 0.2626079), wk = 0.0025316 k( 330) = ( 0.1153846 0.1153846 0.2626079), wk = 0.0025316 k( 331) = ( 0.1076923 0.1076923 0.2626079), wk = 0.0025316 k( 332) = ( 0.1000000 0.1000000 0.2626079), wk = 0.0025316 k( 333) = ( 0.0923077 0.0923077 0.2626079), wk = 0.0025316 k( 334) = ( 0.0846154 0.0846154 0.2626079), wk = 0.0025316 k( 335) = ( 0.0769231 0.0769231 0.2626079), wk = 0.0025316 k( 336) = ( 0.0692308 0.0692308 0.2626079), wk = 0.0025316 k( 337) = ( 0.0615385 0.0615385 0.2626079), wk = 0.0025316 k( 338) = ( 0.0538462 0.0538461 0.2626079), wk = 0.0025316 k( 339) = ( 0.0461539 0.0461538 0.2626079), wk = 0.0025316 k( 340) = ( 0.0384615 0.0384615 0.2626079), wk = 0.0025316 k( 341) = ( 0.0307692 0.0307692 0.2626079), wk = 0.0025316 k( 342) = ( 0.0230769 0.0230769 0.2626079), wk = 0.0025316 k( 343) = ( 0.0153846 0.0153846 0.2626079), wk = 0.0025316 k( 344) = ( 0.0076923 0.0076923 0.2626079), wk = 0.0025316 k( 345) = ( 0.0000000 0.0000000 0.2626079), wk = 0.0025316 k( 346) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025316 k( 347) = ( 0.0000000 0.5000000 0.0109420), wk = 0.0025316 k( 348) = ( 0.0000000 0.5000000 0.0218840), wk = 0.0025316 k( 349) = ( 0.0000000 0.5000000 0.0328260), wk = 0.0025316 k( 350) = ( 0.0000000 0.5000000 0.0437680), wk = 0.0025316 k( 351) = ( 0.0000000 0.5000000 0.0547100), wk = 0.0025316 k( 352) = ( 0.0000000 0.5000000 0.0656520), wk = 0.0025316 k( 353) = ( 0.0000000 0.5000000 0.0765940), wk = 0.0025316 k( 354) = ( 0.0000000 0.5000000 0.0875360), wk = 0.0025316 k( 355) = ( 0.0000000 0.5000000 0.0984780), wk = 0.0025316 k( 356) = ( 0.0000000 0.5000000 0.1094200), wk = 0.0025316 k( 357) = ( 0.0000000 0.5000000 0.1203620), wk = 0.0025316 k( 358) = ( 0.0000000 0.5000000 0.1313040), wk = 0.0025316 k( 359) = ( 0.0000000 0.5000000 0.1422459), wk = 0.0025316 k( 360) = ( 0.0000000 0.5000000 0.1531879), wk = 0.0025316 k( 361) = ( 0.0000000 0.5000000 0.1641299), wk = 0.0025316 k( 362) = ( 0.0000000 0.5000000 0.1750719), wk = 0.0025316 k( 363) = ( 0.0000000 0.5000000 0.1860139), wk = 0.0025316 k( 364) = ( 0.0000000 0.5000000 0.1969559), wk = 0.0025316 k( 365) = ( 0.0000000 0.5000000 0.2078979), wk = 0.0025316 k( 366) = ( 0.0000000 0.5000000 0.2188399), wk = 0.0025316 k( 367) = ( 0.0000000 0.5000000 0.2297819), wk = 0.0025316 k( 368) = ( 0.0000000 0.5000000 0.2407239), wk = 0.0025316 k( 369) = ( 0.0000000 0.5000000 0.2516659), wk = 0.0025316 k( 370) = ( 0.0000000 0.5000000 0.2626079), wk = 0.0025316 k( 371) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 372) = ( 0.5000000 0.5000000 0.0109420), wk = 0.0025316 k( 373) = ( 0.5000000 0.5000000 0.0218840), wk = 0.0025316 k( 374) = ( 0.5000000 0.5000000 0.0328260), wk = 0.0025316 k( 375) = ( 0.5000000 0.5000000 0.0437680), wk = 0.0025316 k( 376) = ( 0.5000000 0.5000000 0.0547100), wk = 0.0025316 k( 377) = ( 0.5000000 0.5000000 0.0656520), wk = 0.0025316 k( 378) = ( 0.5000000 0.5000000 0.0765940), wk = 0.0025316 k( 379) = ( 0.5000000 0.5000000 0.0875360), wk = 0.0025316 k( 380) = ( 0.5000000 0.5000000 0.0984780), wk = 0.0025316 k( 381) = ( 0.5000000 0.5000000 0.1094200), wk = 0.0025316 k( 382) = ( 0.5000000 0.5000000 0.1203620), wk = 0.0025316 k( 383) = ( 0.5000000 0.5000000 0.1313040), wk = 0.0025316 k( 384) = ( 0.5000000 0.5000000 0.1422459), wk = 0.0025316 k( 385) = ( 0.5000000 0.5000000 0.1531879), wk = 0.0025316 k( 386) = ( 0.5000000 0.5000000 0.1641299), wk = 0.0025316 k( 387) = ( 0.5000000 0.5000000 0.1750719), wk = 0.0025316 k( 388) = ( 0.5000000 0.5000000 0.1860139), wk = 0.0025316 k( 389) = ( 0.5000000 0.5000000 0.1969559), wk = 0.0025316 k( 390) = ( 0.5000000 0.5000000 0.2078979), wk = 0.0025316 k( 391) = ( 0.5000000 0.5000000 0.2188399), wk = 0.0025316 k( 392) = ( 0.5000000 0.5000000 0.2297819), wk = 0.0025316 k( 393) = ( 0.5000000 0.5000000 0.2407239), wk = 0.0025316 k( 394) = ( 0.5000000 0.5000000 0.2516659), wk = 0.0025316 k( 395) = ( 0.5000000 0.5000000 0.2626079), wk = 0.0025316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0025316 k( 3) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0025316 k( 4) = ( 0.0000000 0.0326087 0.0000000), wk = 0.0025316 k( 5) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0025316 k( 6) = ( 0.0000000 0.0543478 0.0000000), wk = 0.0025316 k( 7) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0025316 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0025316 k( 9) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0025316 k( 10) = ( 0.0000000 0.0978261 0.0000000), wk = 0.0025316 k( 11) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0025316 k( 12) = ( 0.0000000 0.1195652 0.0000000), wk = 0.0025316 k( 13) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0025316 k( 14) = ( 0.0000000 0.1413043 0.0000000), wk = 0.0025316 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0025316 k( 16) = ( 0.0000000 0.1630435 0.0000000), wk = 0.0025316 k( 17) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0025316 k( 18) = ( 0.0000000 0.1847826 0.0000000), wk = 0.0025316 k( 19) = ( 0.0000000 0.1956522 0.0000000), wk = 0.0025316 k( 20) = ( 0.0000000 0.2065217 0.0000000), wk = 0.0025316 k( 21) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0025316 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0025316 k( 23) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0025316 k( 24) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025316 k( 25) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0025316 k( 26) = ( 0.0000000 0.2717391 0.0000000), wk = 0.0025316 k( 27) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0025316 k( 28) = ( 0.0000000 0.2934783 0.0000000), wk = 0.0025316 k( 29) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0025316 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0025316 k( 31) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0025316 k( 32) = ( 0.0000000 0.3369565 0.0000000), wk = 0.0025316 k( 33) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0025316 k( 34) = ( 0.0000000 0.3586956 0.0000000), wk = 0.0025316 k( 35) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0025316 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0025316 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0025316 k( 38) = ( 0.0000000 0.4021739 0.0000000), wk = 0.0025316 k( 39) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0025316 k( 40) = ( 0.0000000 0.4239130 0.0000000), wk = 0.0025316 k( 41) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0025316 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0025316 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0025316 k( 44) = ( 0.0000000 0.4673913 0.0000000), wk = 0.0025316 k( 45) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0025316 k( 46) = ( 0.0000000 0.4891304 0.0000000), wk = 0.0025316 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025316 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025316 k( 49) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0025316 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0025316 k( 51) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0025316 k( 52) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0025316 k( 53) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0025316 k( 54) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0025316 k( 55) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0025316 k( 56) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0025316 k( 57) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0025316 k( 58) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0025316 k( 59) = ( 0.1195652 0.5000000 0.0000000), wk = 0.0025316 k( 60) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0025316 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0025316 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0025316 k( 63) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0025316 k( 64) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0025316 k( 65) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0025316 k( 66) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0025316 k( 67) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0025316 k( 68) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0025316 k( 69) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0025316 k( 70) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0025316 k( 71) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025316 k( 72) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0025316 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0025316 k( 74) = ( 0.2826087 0.5000000 0.0000000), wk = 0.0025316 k( 75) = ( 0.2934783 0.5000000 0.0000000), wk = 0.0025316 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0025316 k( 77) = ( 0.3152174 0.5000000 0.0000000), wk = 0.0025316 k( 78) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0025316 k( 79) = ( 0.3369565 0.5000000 0.0000000), wk = 0.0025316 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0025316 k( 81) = ( 0.3586956 0.5000000 0.0000000), wk = 0.0025316 k( 82) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0025316 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0025316 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0025316 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0025316 k( 86) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0025316 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0025316 k( 88) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0025316 k( 89) = ( 0.4456522 0.5000000 0.0000000), wk = 0.0025316 k( 90) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0025316 k( 91) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0025316 k( 92) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0025316 k( 93) = ( 0.4891304 0.5000000 0.0000000), wk = 0.0025316 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 96) = ( 0.4923077 0.4923077 0.0000000), wk = 0.0025316 k( 97) = ( 0.4846154 0.4846154 0.0000000), wk = 0.0025316 k( 98) = ( 0.4769231 0.4769231 0.0000000), wk = 0.0025316 k( 99) = ( 0.4692308 0.4692308 0.0000000), wk = 0.0025316 k( 100) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0025316 k( 101) = ( 0.4538462 0.4538462 -0.0000000), wk = 0.0025316 k( 102) = ( 0.4461539 0.4461539 0.0000000), wk = 0.0025316 k( 103) = ( 0.4384615 0.4384615 0.0000000), wk = 0.0025316 k( 104) = ( 0.4307692 0.4307692 0.0000000), wk = 0.0025316 k( 105) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0025316 k( 106) = ( 0.4153846 0.4153846 -0.0000000), wk = 0.0025316 k( 107) = ( 0.4076923 0.4076923 0.0000000), wk = 0.0025316 k( 108) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0025316 k( 109) = ( 0.3923077 0.3923077 0.0000000), wk = 0.0025316 k( 110) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0025316 k( 111) = ( 0.3769231 0.3769231 0.0000000), wk = 0.0025316 k( 112) = ( 0.3692308 0.3692308 0.0000000), wk = 0.0025316 k( 113) = ( 0.3615385 0.3615385 -0.0000000), wk = 0.0025316 k( 114) = ( 0.3538462 0.3538462 -0.0000000), wk = 0.0025316 k( 115) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0025316 k( 116) = ( 0.3384615 0.3384615 -0.0000000), wk = 0.0025316 k( 117) = ( 0.3307692 0.3307692 -0.0000000), wk = 0.0025316 k( 118) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0025316 k( 119) = ( 0.3153846 0.3153846 0.0000000), wk = 0.0025316 k( 120) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0025316 k( 121) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025316 k( 122) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0025316 k( 123) = ( 0.2846154 0.2846154 -0.0000000), wk = 0.0025316 k( 124) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0025316 k( 125) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0025316 k( 126) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0025316 k( 127) = ( 0.2538461 0.2538461 0.0000000), wk = 0.0025316 k( 128) = ( 0.2461539 0.2461539 0.0000000), wk = 0.0025316 k( 129) = ( 0.2384615 0.2384615 0.0000000), wk = 0.0025316 k( 130) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0025316 k( 131) = ( 0.2230769 0.2230769 0.0000000), wk = 0.0025316 k( 132) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0025316 k( 133) = ( 0.2076923 0.2076923 -0.0000000), wk = 0.0025316 k( 134) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0025316 k( 135) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0025316 k( 136) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0025316 k( 137) = ( 0.1769231 0.1769231 -0.0000000), wk = 0.0025316 k( 138) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0025316 k( 139) = ( 0.1615385 0.1615385 -0.0000000), wk = 0.0025316 k( 140) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0025316 k( 141) = ( 0.1461539 0.1461539 0.0000000), wk = 0.0025316 k( 142) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0025316 k( 143) = ( 0.1307692 0.1307692 0.0000000), wk = 0.0025316 k( 144) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0025316 k( 145) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0025316 k( 146) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0025316 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0025316 k( 148) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0025316 k( 149) = ( 0.0846154 0.0846154 -0.0000000), wk = 0.0025316 k( 150) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0025316 k( 151) = ( 0.0692308 0.0692308 0.0000000), wk = 0.0025316 k( 152) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0025316 k( 153) = ( 0.0538462 0.0538462 0.0000000), wk = 0.0025316 k( 154) = ( 0.0461539 0.0461539 0.0000000), wk = 0.0025316 k( 155) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0025316 k( 156) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0025316 k( 157) = ( 0.0230769 0.0230769 -0.0000000), wk = 0.0025316 k( 158) = ( 0.0153846 0.0153846 0.0000000), wk = 0.0025316 k( 159) = ( 0.0076923 0.0076923 0.0000000), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0025316 k( 164) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025316 k( 165) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025316 k( 166) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0025316 k( 167) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025316 k( 168) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0025316 k( 169) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025316 k( 170) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025316 k( 171) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0025316 k( 172) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0025316 k( 173) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025316 k( 174) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0025316 k( 175) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0025316 k( 176) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025316 k( 177) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025316 k( 178) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0025316 k( 179) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025316 k( 180) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0025316 k( 181) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025316 k( 182) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025316 k( 183) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0025316 k( 184) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0025316 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 187) = ( 0.0000000 0.0108696 0.5000000), wk = 0.0025316 k( 188) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0025316 k( 189) = ( 0.0000000 0.0326087 0.5000000), wk = 0.0025316 k( 190) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0025316 k( 191) = ( 0.0000000 0.0543478 0.5000000), wk = 0.0025316 k( 192) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0025316 k( 193) = ( 0.0000000 0.0760870 0.5000000), wk = 0.0025316 k( 194) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0025316 k( 195) = ( 0.0000000 0.0978261 0.5000000), wk = 0.0025316 k( 196) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0025316 k( 197) = ( 0.0000000 0.1195652 0.5000000), wk = 0.0025316 k( 198) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0025316 k( 199) = ( 0.0000000 0.1413043 0.5000000), wk = 0.0025316 k( 200) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0025316 k( 201) = ( 0.0000000 0.1630435 0.5000000), wk = 0.0025316 k( 202) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0025316 k( 203) = ( 0.0000000 0.1847826 0.5000000), wk = 0.0025316 k( 204) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0025316 k( 205) = ( 0.0000000 0.2065217 0.5000000), wk = 0.0025316 k( 206) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0025316 k( 207) = ( 0.0000000 0.2282609 0.5000000), wk = 0.0025316 k( 208) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0025316 k( 209) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025316 k( 210) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0025316 k( 211) = ( 0.0000000 0.2717391 0.5000000), wk = 0.0025316 k( 212) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0025316 k( 213) = ( 0.0000000 0.2934783 0.5000000), wk = 0.0025316 k( 214) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0025316 k( 215) = ( 0.0000000 0.3152174 0.5000000), wk = 0.0025316 k( 216) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0025316 k( 217) = ( 0.0000000 0.3369565 0.5000000), wk = 0.0025316 k( 218) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0025316 k( 219) = ( 0.0000000 0.3586956 0.5000000), wk = 0.0025316 k( 220) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0025316 k( 221) = ( 0.0000000 0.3804348 0.5000000), wk = 0.0025316 k( 222) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0025316 k( 223) = ( 0.0000000 0.4021739 0.5000000), wk = 0.0025316 k( 224) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0025316 k( 225) = ( 0.0000000 0.4239130 0.5000000), wk = 0.0025316 k( 226) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0025316 k( 227) = ( 0.0000000 0.4456522 0.5000000), wk = 0.0025316 k( 228) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0025316 k( 229) = ( 0.0000000 0.4673913 0.5000000), wk = 0.0025316 k( 230) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0025316 k( 231) = ( 0.0000000 0.4891304 0.5000000), wk = 0.0025316 k( 232) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025316 k( 233) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025316 k( 234) = ( 0.0108696 0.5000000 0.5000000), wk = 0.0025316 k( 235) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0025316 k( 236) = ( 0.0326087 0.5000000 0.5000000), wk = 0.0025316 k( 237) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0025316 k( 238) = ( 0.0543478 0.5000000 0.5000000), wk = 0.0025316 k( 239) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0025316 k( 240) = ( 0.0760870 0.5000000 0.5000000), wk = 0.0025316 k( 241) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0025316 k( 242) = ( 0.0978261 0.5000000 0.5000000), wk = 0.0025316 k( 243) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0025316 k( 244) = ( 0.1195652 0.5000000 0.5000000), wk = 0.0025316 k( 245) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0025316 k( 246) = ( 0.1413043 0.5000000 0.5000000), wk = 0.0025316 k( 247) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0025316 k( 248) = ( 0.1630435 0.5000000 0.5000000), wk = 0.0025316 k( 249) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0025316 k( 250) = ( 0.1847826 0.5000000 0.5000000), wk = 0.0025316 k( 251) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0025316 k( 252) = ( 0.2065217 0.5000000 0.5000000), wk = 0.0025316 k( 253) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0025316 k( 254) = ( 0.2282609 0.5000000 0.5000000), wk = 0.0025316 k( 255) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0025316 k( 256) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025316 k( 257) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0025316 k( 258) = ( 0.2717391 0.5000000 0.5000000), wk = 0.0025316 k( 259) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0025316 k( 260) = ( 0.2934783 0.5000000 0.5000000), wk = 0.0025316 k( 261) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0025316 k( 262) = ( 0.3152174 0.5000000 0.5000000), wk = 0.0025316 k( 263) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0025316 k( 264) = ( 0.3369565 0.5000000 0.5000000), wk = 0.0025316 k( 265) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0025316 k( 266) = ( 0.3586956 0.5000000 0.5000000), wk = 0.0025316 k( 267) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0025316 k( 268) = ( 0.3804348 0.5000000 0.5000000), wk = 0.0025316 k( 269) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0025316 k( 270) = ( 0.4021739 0.5000000 0.5000000), wk = 0.0025316 k( 271) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0025316 k( 272) = ( 0.4239130 0.5000000 0.5000000), wk = 0.0025316 k( 273) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0025316 k( 274) = ( 0.4456522 0.5000000 0.5000000), wk = 0.0025316 k( 275) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0025316 k( 276) = ( 0.4673913 0.5000000 0.5000000), wk = 0.0025316 k( 277) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0025316 k( 278) = ( 0.4891304 0.5000000 0.5000000), wk = 0.0025316 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025316 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025316 k( 281) = ( 0.4923077 0.4923077 0.5000000), wk = 0.0025316 k( 282) = ( 0.4846154 0.4846154 0.5000000), wk = 0.0025316 k( 283) = ( 0.4769231 0.4769231 0.5000000), wk = 0.0025316 k( 284) = ( 0.4692308 0.4692308 0.5000000), wk = 0.0025316 k( 285) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0025316 k( 286) = ( 0.4538462 0.4538462 0.5000000), wk = 0.0025316 k( 287) = ( 0.4461539 0.4461539 0.5000000), wk = 0.0025316 k( 288) = ( 0.4384615 0.4384615 0.5000000), wk = 0.0025316 k( 289) = ( 0.4307692 0.4307692 0.5000000), wk = 0.0025316 k( 290) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0025316 k( 291) = ( 0.4153846 0.4153846 0.5000000), wk = 0.0025316 k( 292) = ( 0.4076923 0.4076923 0.5000000), wk = 0.0025316 k( 293) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0025316 k( 294) = ( 0.3923077 0.3923077 0.5000000), wk = 0.0025316 k( 295) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0025316 k( 296) = ( 0.3769231 0.3769231 0.5000000), wk = 0.0025316 k( 297) = ( 0.3692308 0.3692308 0.5000000), wk = 0.0025316 k( 298) = ( 0.3615385 0.3615385 0.5000000), wk = 0.0025316 k( 299) = ( 0.3538462 0.3538462 0.5000000), wk = 0.0025316 k( 300) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0025316 k( 301) = ( 0.3384615 0.3384615 0.5000000), wk = 0.0025316 k( 302) = ( 0.3307692 0.3307692 0.5000000), wk = 0.0025316 k( 303) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0025316 k( 304) = ( 0.3153846 0.3153846 0.5000000), wk = 0.0025316 k( 305) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0025316 k( 306) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025316 k( 307) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0025316 k( 308) = ( 0.2846154 0.2846154 0.5000000), wk = 0.0025316 k( 309) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0025316 k( 310) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0025316 k( 311) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0025316 k( 312) = ( 0.2538461 0.2538461 0.5000000), wk = 0.0025316 k( 313) = ( 0.2461539 0.2461539 0.5000000), wk = 0.0025316 k( 314) = ( 0.2384615 0.2384615 0.5000000), wk = 0.0025316 k( 315) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0025316 k( 316) = ( 0.2230769 0.2230769 0.5000000), wk = 0.0025316 k( 317) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0025316 k( 318) = ( 0.2076923 0.2076923 0.5000000), wk = 0.0025316 k( 319) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025316 k( 320) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0025316 k( 321) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0025316 k( 322) = ( 0.1769231 0.1769231 0.5000000), wk = 0.0025316 k( 323) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0025316 k( 324) = ( 0.1615385 0.1615385 0.5000000), wk = 0.0025316 k( 325) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0025316 k( 326) = ( 0.1461539 0.1461539 0.5000000), wk = 0.0025316 k( 327) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0025316 k( 328) = ( 0.1307692 0.1307692 0.5000000), wk = 0.0025316 k( 329) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0025316 k( 330) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0025316 k( 331) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0025316 k( 332) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025316 k( 333) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0025316 k( 334) = ( 0.0846154 0.0846154 0.5000000), wk = 0.0025316 k( 335) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0025316 k( 336) = ( 0.0692308 0.0692308 0.5000000), wk = 0.0025316 k( 337) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0025316 k( 338) = ( 0.0538462 0.0538462 0.5000000), wk = 0.0025316 k( 339) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0025316 k( 340) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0025316 k( 341) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0025316 k( 342) = ( 0.0230769 0.0230769 0.5000000), wk = 0.0025316 k( 343) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0025316 k( 344) = ( 0.0076923 0.0076923 0.5000000), wk = 0.0025316 k( 345) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 346) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025316 k( 347) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0025316 k( 348) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0025316 k( 349) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025316 k( 350) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0025316 k( 351) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0025316 k( 352) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025316 k( 353) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0025316 k( 354) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025316 k( 355) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025316 k( 356) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0025316 k( 357) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0025316 k( 358) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025316 k( 359) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0025316 k( 360) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0025316 k( 361) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025316 k( 362) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025316 k( 363) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0025316 k( 364) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025316 k( 365) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0025316 k( 366) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0025316 k( 367) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025316 k( 368) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0025316 k( 369) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0025316 k( 370) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025316 k( 371) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025316 k( 372) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0025316 k( 373) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0025316 k( 374) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0025316 k( 375) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0025316 k( 376) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0025316 k( 377) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025316 k( 378) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0025316 k( 379) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025316 k( 380) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0025316 k( 381) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0025316 k( 382) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0025316 k( 383) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025316 k( 384) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0025316 k( 385) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0025316 k( 386) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0025316 k( 387) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025316 k( 388) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0025316 k( 389) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025316 k( 390) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0025316 k( 391) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0025316 k( 392) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0025316 k( 393) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0025316 k( 394) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0025316 k( 395) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025316 Dense grid: 25529 G-vectors FFT dimensions: ( 30, 30, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 198, 38) NL pseudopotentials 0.15 Mb ( 99, 100) Each V/rho on FFT grid 0.03 Mb ( 1800) Each G-vector array 0.01 Mb ( 713) G-vector shells 0.00 Mb ( 366) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 198, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.12 Mb ( 100, 2, 38) The potential is recalculated from file : ./ZrAg.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 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 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.6 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.1 secs Computing kpt #: 21 total cpu time spent up to now is 6.4 secs Computing kpt #: 22 total cpu time spent up to now is 6.7 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.3 secs Computing kpt #: 25 total cpu time spent up to now is 7.6 secs Computing kpt #: 26 total cpu time spent up to now is 7.8 secs Computing kpt #: 27 total cpu time spent up to now is 8.1 secs Computing kpt #: 28 total cpu time spent up to now is 8.4 secs Computing kpt #: 29 total cpu time spent up to now is 8.7 secs Computing kpt #: 30 total cpu time spent up to now is 9.0 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.3 secs Computing kpt #: 35 total cpu time spent up to now is 10.6 secs Computing kpt #: 36 total cpu time spent up to now is 10.9 secs Computing kpt #: 37 total cpu time spent up to now is 11.3 secs Computing kpt #: 38 total cpu time spent up to now is 11.6 secs Computing kpt #: 39 total cpu time spent up to now is 12.0 secs Computing kpt #: 40 total cpu time spent up to now is 12.4 secs Computing kpt #: 41 total cpu time spent up to now is 12.7 secs Computing kpt #: 42 total cpu time spent up to now is 13.1 secs Computing kpt #: 43 total cpu time spent up to now is 13.5 secs Computing kpt #: 44 total cpu time spent up to now is 13.9 secs Computing kpt #: 45 total cpu time spent up to now is 14.3 secs Computing kpt #: 46 total cpu time spent up to now is 14.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.0 secs Computing kpt #: 48 total cpu time spent up to now is 15.3 secs Computing kpt #: 49 total cpu time spent up to now is 15.8 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.3 secs Computing kpt #: 53 total cpu time spent up to now is 17.8 secs Computing kpt #: 54 total cpu time spent up to now is 18.3 secs Computing kpt #: 55 total cpu time spent up to now is 18.8 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.8 secs Computing kpt #: 58 total cpu time spent up to now is 20.2 secs Computing kpt #: 59 total cpu time spent up to now is 20.7 secs Computing kpt #: 60 total cpu time spent up to now is 21.2 secs Computing kpt #: 61 total cpu time spent up to now is 21.7 secs Computing kpt #: 62 total cpu time spent up to now is 22.2 secs Computing kpt #: 63 total cpu time spent up to now is 22.6 secs Computing kpt #: 64 total cpu time spent up to now is 23.1 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.0 secs Computing kpt #: 67 total cpu time spent up to now is 24.4 secs Computing kpt #: 68 total cpu time spent up to now is 24.9 secs Computing kpt #: 69 total cpu time spent up to now is 25.3 secs Computing kpt #: 70 total cpu time spent up to now is 25.9 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.7 secs Computing kpt #: 72 total cpu time spent up to now is 27.5 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.4 secs Computing kpt #: 74 total cpu time spent up to now is 28.9 secs Computing kpt #: 75 total cpu time spent up to now is 29.3 secs Computing kpt #: 76 total cpu time spent up to now is 29.7 secs Computing kpt #: 77 total cpu time spent up to now is 30.3 secs Computing kpt #: 78 total cpu time spent up to now is 30.8 secs Computing kpt #: 79 total cpu time spent up to now is 31.2 secs Computing kpt #: 80 total cpu time spent up to now is 31.6 secs Computing kpt #: 81 total cpu time spent up to now is 32.0 secs Computing kpt #: 82 total cpu time spent up to now is 32.3 secs Computing kpt #: 83 total cpu time spent up to now is 32.7 secs Computing kpt #: 84 total cpu time spent up to now is 33.0 secs Computing kpt #: 85 total cpu time spent up to now is 33.3 secs Computing kpt #: 86 total cpu time spent up to now is 33.6 secs Computing kpt #: 87 total cpu time spent up to now is 34.0 secs Computing kpt #: 88 total cpu time spent up to now is 34.3 secs Computing kpt #: 89 total cpu time spent up to now is 34.6 secs Computing kpt #: 90 total cpu time spent up to now is 34.9 secs Computing kpt #: 91 total cpu time spent up to now is 35.2 secs Computing kpt #: 92 total cpu time spent up to now is 35.6 secs Computing kpt #: 93 total cpu time spent up to now is 35.9 secs Computing kpt #: 94 total cpu time spent up to now is 36.1 secs Computing kpt #: 95 total cpu time spent up to now is 36.4 secs Computing kpt #: 96 total cpu time spent up to now is 36.7 secs Computing kpt #: 97 total cpu time spent up to now is 37.5 secs Computing kpt #: 98 total cpu time spent up to now is 38.1 secs Computing kpt #: 99 total cpu time spent up to now is 38.6 secs Computing kpt #: 100 total cpu time spent up to now is 39.0 secs Computing kpt #: 101 total cpu time spent up to now is 39.6 secs Computing kpt #: 102 total cpu time spent up to now is 40.1 secs Computing kpt #: 103 total cpu time spent up to now is 40.6 secs Computing kpt #: 104 total cpu time spent up to now is 41.0 secs Computing kpt #: 105 total cpu time spent up to now is 41.5 secs Computing kpt #: 106 total cpu time spent up to now is 41.9 secs Computing kpt #: 107 total cpu time spent up to now is 42.4 secs Computing kpt #: 108 total cpu time spent up to now is 42.8 secs Computing kpt #: 109 total cpu time spent up to now is 43.3 secs Computing kpt #: 110 total cpu time spent up to now is 43.8 secs Computing kpt #: 111 total cpu time spent up to now is 44.2 secs Computing kpt #: 112 total cpu time spent up to now is 44.7 secs Computing kpt #: 113 total cpu time spent up to now is 45.3 secs Computing kpt #: 114 total cpu time spent up to now is 45.8 secs Computing kpt #: 115 total cpu time spent up to now is 46.2 secs Computing kpt #: 116 total cpu time spent up to now is 46.7 secs Computing kpt #: 117 total cpu time spent up to now is 47.2 secs Computing kpt #: 118 total cpu time spent up to now is 47.6 secs Computing kpt #: 119 total cpu time spent up to now is 48.1 secs Computing kpt #: 120 total cpu time spent up to now is 48.6 secs Computing kpt #: 121 total cpu time spent up to now is 49.1 secs Computing kpt #: 122 total cpu time spent up to now is 49.6 secs Computing kpt #: 123 total cpu time spent up to now is 50.0 secs Computing kpt #: 124 total cpu time spent up to now is 50.4 secs Computing kpt #: 125 total cpu time spent up to now is 50.9 secs Computing kpt #: 126 total cpu time spent up to now is 51.3 secs Computing kpt #: 127 total cpu time spent up to now is 51.7 secs Computing kpt #: 128 total cpu time spent up to now is 52.2 secs Computing kpt #: 129 total cpu time spent up to now is 52.6 secs Computing kpt #: 130 total cpu time spent up to now is 53.0 secs Computing kpt #: 131 total cpu time spent up to now is 53.4 secs Computing kpt #: 132 total cpu time spent up to now is 53.7 secs Computing kpt #: 133 total cpu time spent up to now is 54.1 secs Computing kpt #: 134 total cpu time spent up to now is 54.5 secs Computing kpt #: 135 total cpu time spent up to now is 54.8 secs Computing kpt #: 136 total cpu time spent up to now is 55.2 secs Computing kpt #: 137 total cpu time spent up to now is 55.5 secs Computing kpt #: 138 total cpu time spent up to now is 55.8 secs Computing kpt #: 139 total cpu time spent up to now is 56.1 secs Computing kpt #: 140 total cpu time spent up to now is 56.5 secs Computing kpt #: 141 total cpu time spent up to now is 56.8 secs Computing kpt #: 142 total cpu time spent up to now is 57.1 secs Computing kpt #: 143 total cpu time spent up to now is 57.4 secs Computing kpt #: 144 total cpu time spent up to now is 57.6 secs Computing kpt #: 145 total cpu time spent up to now is 57.9 secs Computing kpt #: 146 total cpu time spent up to now is 58.2 secs Computing kpt #: 147 total cpu time spent up to now is 58.4 secs Computing kpt #: 148 total cpu time spent up to now is 58.6 secs Computing kpt #: 149 total cpu time spent up to now is 58.9 secs Computing kpt #: 150 total cpu time spent up to now is 59.1 secs Computing kpt #: 151 total cpu time spent up to now is 59.4 secs Computing kpt #: 152 total cpu time spent up to now is 59.6 secs Computing kpt #: 153 total cpu time spent up to now is 59.9 secs Computing kpt #: 154 total cpu time spent up to now is 60.2 secs Computing kpt #: 155 total cpu time spent up to now is 60.4 secs Computing kpt #: 156 total cpu time spent up to now is 60.6 secs Computing kpt #: 157 total cpu time spent up to now is 60.9 secs Computing kpt #: 158 total cpu time spent up to now is 61.1 secs Computing kpt #: 159 total cpu time spent up to now is 61.3 secs Computing kpt #: 160 total cpu time spent up to now is 61.5 secs Computing kpt #: 161 total cpu time spent up to now is 61.8 secs Computing kpt #: 162 total cpu time spent up to now is 62.1 secs Computing kpt #: 163 total cpu time spent up to now is 62.3 secs Computing kpt #: 164 total cpu time spent up to now is 62.6 secs Computing kpt #: 165 total cpu time spent up to now is 62.9 secs Computing kpt #: 166 total cpu time spent up to now is 63.1 secs Computing kpt #: 167 total cpu time spent up to now is 63.4 secs Computing kpt #: 168 total cpu time spent up to now is 63.7 secs Computing kpt #: 169 total cpu time spent up to now is 63.9 secs Computing kpt #: 170 total cpu time spent up to now is 64.1 secs Computing kpt #: 171 total cpu time spent up to now is 64.4 secs Computing kpt #: 172 total cpu time spent up to now is 64.6 secs Computing kpt #: 173 total cpu time spent up to now is 64.9 secs Computing kpt #: 174 total cpu time spent up to now is 65.1 secs Computing kpt #: 175 total cpu time spent up to now is 65.4 secs Computing kpt #: 176 total cpu time spent up to now is 65.6 secs Computing kpt #: 177 total cpu time spent up to now is 65.9 secs Computing kpt #: 178 total cpu time spent up to now is 66.3 secs Computing kpt #: 179 total cpu time spent up to now is 66.7 secs Computing kpt #: 180 total cpu time spent up to now is 67.0 secs Computing kpt #: 181 total cpu time spent up to now is 67.3 secs Computing kpt #: 182 total cpu time spent up to now is 67.6 secs Computing kpt #: 183 total cpu time spent up to now is 67.9 secs Computing kpt #: 184 total cpu time spent up to now is 68.1 secs Computing kpt #: 185 total cpu time spent up to now is 68.4 secs Computing kpt #: 186 total cpu time spent up to now is 68.7 secs Computing kpt #: 187 total cpu time spent up to now is 69.0 secs Computing kpt #: 188 total cpu time spent up to now is 69.3 secs Computing kpt #: 189 total cpu time spent up to now is 69.5 secs Computing kpt #: 190 total cpu time spent up to now is 69.8 secs Computing kpt #: 191 total cpu time spent up to now is 70.1 secs Computing kpt #: 192 total cpu time spent up to now is 70.4 secs Computing kpt #: 193 total cpu time spent up to now is 70.6 secs Computing kpt #: 194 total cpu time spent up to now is 70.9 secs Computing kpt #: 195 total cpu time spent up to now is 71.1 secs Computing kpt #: 196 total cpu time spent up to now is 71.4 secs Computing kpt #: 197 total cpu time spent up to now is 71.7 secs Computing kpt #: 198 total cpu time spent up to now is 71.9 secs Computing kpt #: 199 total cpu time spent up to now is 72.2 secs Computing kpt #: 200 total cpu time spent up to now is 72.4 secs Computing kpt #: 201 total cpu time spent up to now is 72.7 secs Computing kpt #: 202 total cpu time spent up to now is 73.0 secs Computing kpt #: 203 total cpu time spent up to now is 73.2 secs Computing kpt #: 204 total cpu time spent up to now is 73.5 secs Computing kpt #: 205 total cpu time spent up to now is 73.7 secs Computing kpt #: 206 total cpu time spent up to now is 74.0 secs Computing kpt #: 207 total cpu time spent up to now is 74.3 secs Computing kpt #: 208 total cpu time spent up to now is 74.5 secs Computing kpt #: 209 total cpu time spent up to now is 74.8 secs Computing kpt #: 210 total cpu time spent up to now is 75.1 secs Computing kpt #: 211 total cpu time spent up to now is 75.3 secs Computing kpt #: 212 total cpu time spent up to now is 75.6 secs Computing kpt #: 213 total cpu time spent up to now is 75.8 secs Computing kpt #: 214 total cpu time spent up to now is 76.2 secs Computing kpt #: 215 total cpu time spent up to now is 76.4 secs Computing kpt #: 216 total cpu time spent up to now is 76.7 secs Computing kpt #: 217 total cpu time spent up to now is 77.0 secs Computing kpt #: 218 total cpu time spent up to now is 77.3 secs Computing kpt #: 219 total cpu time spent up to now is 77.7 secs Computing kpt #: 220 total cpu time spent up to now is 78.0 secs Computing kpt #: 221 total cpu time spent up to now is 78.3 secs Computing kpt #: 222 total cpu time spent up to now is 78.6 secs Computing kpt #: 223 total cpu time spent up to now is 78.9 secs Computing kpt #: 224 total cpu time spent up to now is 79.2 secs Computing kpt #: 225 total cpu time spent up to now is 79.5 secs Computing kpt #: 226 total cpu time spent up to now is 79.8 secs Computing kpt #: 227 total cpu time spent up to now is 80.1 secs Computing kpt #: 228 total cpu time spent up to now is 80.5 secs Computing kpt #: 229 total cpu time spent up to now is 80.8 secs Computing kpt #: 230 total cpu time spent up to now is 81.1 secs Computing kpt #: 231 total cpu time spent up to now is 81.6 secs Computing kpt #: 232 total cpu time spent up to now is 81.8 secs Computing kpt #: 233 total cpu time spent up to now is 82.1 secs Computing kpt #: 234 total cpu time spent up to now is 82.6 secs Computing kpt #: 235 total cpu time spent up to now is 83.1 secs Computing kpt #: 236 total cpu time spent up to now is 83.5 secs Computing kpt #: 237 total cpu time spent up to now is 83.8 secs Computing kpt #: 238 total cpu time spent up to now is 84.2 secs Computing kpt #: 239 total cpu time spent up to now is 84.5 secs Computing kpt #: 240 total cpu time spent up to now is 84.9 secs Computing kpt #: 241 total cpu time spent up to now is 85.2 secs Computing kpt #: 242 total cpu time spent up to now is 85.5 secs Computing kpt #: 243 total cpu time spent up to now is 85.9 secs Computing kpt #: 244 total cpu time spent up to now is 86.2 secs Computing kpt #: 245 total cpu time spent up to now is 86.5 secs Computing kpt #: 246 total cpu time spent up to now is 86.9 secs Computing kpt #: 247 total cpu time spent up to now is 87.2 secs Computing kpt #: 248 total cpu time spent up to now is 87.6 secs Computing kpt #: 249 total cpu time spent up to now is 87.9 secs Computing kpt #: 250 total cpu time spent up to now is 88.3 secs Computing kpt #: 251 total cpu time spent up to now is 88.8 secs Computing kpt #: 252 total cpu time spent up to now is 89.3 secs Computing kpt #: 253 total cpu time spent up to now is 89.7 secs Computing kpt #: 254 total cpu time spent up to now is 90.1 secs Computing kpt #: 255 total cpu time spent up to now is 90.6 secs Computing kpt #: 256 total cpu time spent up to now is 91.1 secs Computing kpt #: 257 total cpu time spent up to now is 91.5 secs Computing kpt #: 258 total cpu time spent up to now is 91.9 secs Computing kpt #: 259 total cpu time spent up to now is 92.5 secs Computing kpt #: 260 total cpu time spent up to now is 92.9 secs Computing kpt #: 261 total cpu time spent up to now is 93.4 secs Computing kpt #: 262 total cpu time spent up to now is 93.8 secs Computing kpt #: 263 total cpu time spent up to now is 94.2 secs Computing kpt #: 264 total cpu time spent up to now is 94.6 secs Computing kpt #: 265 total cpu time spent up to now is 95.1 secs Computing kpt #: 266 total cpu time spent up to now is 95.6 secs Computing kpt #: 267 total cpu time spent up to now is 96.0 secs Computing kpt #: 268 total cpu time spent up to now is 96.3 secs Computing kpt #: 269 total cpu time spent up to now is 96.6 secs Computing kpt #: 270 total cpu time spent up to now is 96.9 secs Computing kpt #: 271 total cpu time spent up to now is 97.2 secs Computing kpt #: 272 total cpu time spent up to now is 97.5 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.3 secs Computing kpt #: 274 total cpu time spent up to now is 98.8 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.6 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.5 secs Computing kpt #: 277 total cpu time spent up to now is 100.8 secs Computing kpt #: 278 total cpu time spent up to now is 101.2 secs Computing kpt #: 279 total cpu time spent up to now is 101.6 secs Computing kpt #: 280 total cpu time spent up to now is 102.0 secs Computing kpt #: 281 total cpu time spent up to now is 102.4 secs Computing kpt #: 282 total cpu time spent up to now is 102.9 secs Computing kpt #: 283 total cpu time spent up to now is 103.3 secs Computing kpt #: 284 total cpu time spent up to now is 103.6 secs Computing kpt #: 285 total cpu time spent up to now is 103.8 secs Computing kpt #: 286 total cpu time spent up to now is 104.1 secs Computing kpt #: 287 total cpu time spent up to now is 104.4 secs Computing kpt #: 288 total cpu time spent up to now is 104.6 secs Computing kpt #: 289 total cpu time spent up to now is 104.9 secs Computing kpt #: 290 total cpu time spent up to now is 105.1 secs Computing kpt #: 291 total cpu time spent up to now is 105.3 secs Computing kpt #: 292 total cpu time spent up to now is 105.6 secs Computing kpt #: 293 total cpu time spent up to now is 105.9 secs Computing kpt #: 294 total cpu time spent up to now is 106.2 secs Computing kpt #: 295 total cpu time spent up to now is 106.5 secs Computing kpt #: 296 total cpu time spent up to now is 106.7 secs Computing kpt #: 297 total cpu time spent up to now is 107.0 secs Computing kpt #: 298 total cpu time spent up to now is 107.2 secs Computing kpt #: 299 total cpu time spent up to now is 107.5 secs Computing kpt #: 300 total cpu time spent up to now is 107.9 secs Computing kpt #: 301 total cpu time spent up to now is 108.2 secs Computing kpt #: 302 total cpu time spent up to now is 108.5 secs Computing kpt #: 303 total cpu time spent up to now is 108.9 secs Computing kpt #: 304 total cpu time spent up to now is 109.3 secs Computing kpt #: 305 total cpu time spent up to now is 109.6 secs Computing kpt #: 306 total cpu time spent up to now is 110.0 secs Computing kpt #: 307 total cpu time spent up to now is 110.4 secs Computing kpt #: 308 total cpu time spent up to now is 110.6 secs Computing kpt #: 309 total cpu time spent up to now is 110.9 secs Computing kpt #: 310 total cpu time spent up to now is 111.1 secs Computing kpt #: 311 total cpu time spent up to now is 111.4 secs Computing kpt #: 312 total cpu time spent up to now is 111.6 secs Computing kpt #: 313 total cpu time spent up to now is 111.9 secs Computing kpt #: 314 total cpu time spent up to now is 112.1 secs Computing kpt #: 315 total cpu time spent up to now is 112.4 secs Computing kpt #: 316 total cpu time spent up to now is 112.7 secs Computing kpt #: 317 total cpu time spent up to now is 112.9 secs Computing kpt #: 318 total cpu time spent up to now is 113.2 secs Computing kpt #: 319 total cpu time spent up to now is 113.4 secs Computing kpt #: 320 total cpu time spent up to now is 113.7 secs Computing kpt #: 321 total cpu time spent up to now is 113.9 secs Computing kpt #: 322 total cpu time spent up to now is 114.2 secs Computing kpt #: 323 total cpu time spent up to now is 114.5 secs Computing kpt #: 324 total cpu time spent up to now is 114.8 secs Computing kpt #: 325 total cpu time spent up to now is 115.3 secs Computing kpt #: 326 total cpu time spent up to now is 115.7 secs Computing kpt #: 327 total cpu time spent up to now is 116.1 secs Computing kpt #: 328 total cpu time spent up to now is 116.5 secs Computing kpt #: 329 total cpu time spent up to now is 116.9 secs Computing kpt #: 330 total cpu time spent up to now is 117.4 secs Computing kpt #: 331 total cpu time spent up to now is 117.8 secs Computing kpt #: 332 total cpu time spent up to now is 118.4 secs Computing kpt #: 333 total cpu time spent up to now is 118.9 secs Computing kpt #: 334 total cpu time spent up to now is 119.4 secs Computing kpt #: 335 total cpu time spent up to now is 119.9 secs Computing kpt #: 336 total cpu time spent up to now is 120.3 secs Computing kpt #: 337 total cpu time spent up to now is 120.6 secs Computing kpt #: 338 total cpu time spent up to now is 121.0 secs Computing kpt #: 339 total cpu time spent up to now is 121.3 secs Computing kpt #: 340 total cpu time spent up to now is 121.7 secs Computing kpt #: 341 total cpu time spent up to now is 122.0 secs Computing kpt #: 342 total cpu time spent up to now is 122.3 secs Computing kpt #: 343 total cpu time spent up to now is 122.6 secs Computing kpt #: 344 total cpu time spent up to now is 122.9 secs Computing kpt #: 345 total cpu time spent up to now is 123.2 secs Computing kpt #: 346 total cpu time spent up to now is 123.5 secs Computing kpt #: 347 total cpu time spent up to now is 123.9 secs Computing kpt #: 348 total cpu time spent up to now is 124.2 secs Computing kpt #: 349 total cpu time spent up to now is 124.6 secs Computing kpt #: 350 total cpu time spent up to now is 125.0 secs Computing kpt #: 351 total cpu time spent up to now is 125.3 secs Computing kpt #: 352 total cpu time spent up to now is 125.7 secs Computing kpt #: 353 total cpu time spent up to now is 126.0 secs Computing kpt #: 354 total cpu time spent up to now is 126.4 secs Computing kpt #: 355 total cpu time spent up to now is 126.7 secs Computing kpt #: 356 total cpu time spent up to now is 127.0 secs Computing kpt #: 357 total cpu time spent up to now is 127.3 secs Computing kpt #: 358 total cpu time spent up to now is 127.6 secs Computing kpt #: 359 total cpu time spent up to now is 127.9 secs Computing kpt #: 360 total cpu time spent up to now is 128.2 secs Computing kpt #: 361 total cpu time spent up to now is 128.5 secs Computing kpt #: 362 total cpu time spent up to now is 128.8 secs Computing kpt #: 363 total cpu time spent up to now is 129.0 secs Computing kpt #: 364 total cpu time spent up to now is 129.3 secs Computing kpt #: 365 total cpu time spent up to now is 129.6 secs Computing kpt #: 366 total cpu time spent up to now is 129.8 secs Computing kpt #: 367 total cpu time spent up to now is 130.1 secs Computing kpt #: 368 total cpu time spent up to now is 130.3 secs Computing kpt #: 369 total cpu time spent up to now is 130.6 secs Computing kpt #: 370 total cpu time spent up to now is 130.9 secs Computing kpt #: 371 total cpu time spent up to now is 131.1 secs Computing kpt #: 372 total cpu time spent up to now is 131.4 secs Computing kpt #: 373 total cpu time spent up to now is 131.7 secs Computing kpt #: 374 total cpu time spent up to now is 132.1 secs Computing kpt #: 375 total cpu time spent up to now is 132.5 secs Computing kpt #: 376 total cpu time spent up to now is 132.9 secs Computing kpt #: 377 total cpu time spent up to now is 133.3 secs Computing kpt #: 378 total cpu time spent up to now is 133.8 secs Computing kpt #: 379 total cpu time spent up to now is 134.0 secs Computing kpt #: 380 total cpu time spent up to now is 134.3 secs Computing kpt #: 381 total cpu time spent up to now is 134.5 secs Computing kpt #: 382 total cpu time spent up to now is 134.8 secs Computing kpt #: 383 total cpu time spent up to now is 135.0 secs Computing kpt #: 384 total cpu time spent up to now is 135.2 secs Computing kpt #: 385 total cpu time spent up to now is 135.5 secs Computing kpt #: 386 total cpu time spent up to now is 135.8 secs Computing kpt #: 387 total cpu time spent up to now is 136.0 secs Computing kpt #: 388 total cpu time spent up to now is 136.3 secs Computing kpt #: 389 total cpu time spent up to now is 136.6 secs Computing kpt #: 390 total cpu time spent up to now is 136.9 secs Computing kpt #: 391 total cpu time spent up to now is 137.2 secs Computing kpt #: 392 total cpu time spent up to now is 137.6 secs Computing kpt #: 393 total cpu time spent up to now is 138.0 secs Computing kpt #: 394 total cpu time spent up to now is 138.3 secs Computing kpt #: 395 total cpu time spent up to now is 138.7 secs ethr = 3.33E-08, avg # of iterations = 31.6 total cpu time spent up to now is 138.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): 3.4190 3.4190 4.2863 4.2863 4.4979 4.4979 5.0634 5.0634 5.2236 5.2236 5.6263 5.6263 5.7731 5.7731 5.9401 5.9401 6.0446 6.0446 6.1100 6.1100 6.7274 6.7274 7.1314 7.1314 8.5081 8.5081 9.2037 9.2037 11.4182 11.4182 11.4992 11.4992 11.6773 11.6773 12.2080 12.2080 12.9495 12.9495 k = 0.0000 0.0109-0.0000 ( 3221 PWs) bands (ev): 3.4208 3.4208 4.2868 4.2868 4.4981 4.4981 5.0626 5.0626 5.2230 5.2230 5.6254 5.6254 5.7699 5.7699 5.9388 5.9388 6.0459 6.0459 6.1136 6.1136 6.7268 6.7268 7.1337 7.1337 8.5093 8.5093 9.2046 9.2046 11.4183 11.4183 11.4993 11.4993 11.6777 11.6777 12.2091 12.2091 12.9460 12.9460 k = 0.0000 0.0217-0.0000 ( 3229 PWs) bands (ev): 3.4262 3.4262 4.2888 4.2888 4.4992 4.4992 5.0607 5.0607 5.2212 5.2212 5.6226 5.6226 5.7604 5.7604 5.9357 5.9357 6.0500 6.0500 6.1239 6.1239 6.7261 6.7261 7.1408 7.1408 8.5131 8.5131 9.2072 9.2072 11.4187 11.4187 11.4996 11.4996 11.6788 11.6788 12.2121 12.2121 12.9358 12.9358 k = 0.0000 0.0326-0.0000 ( 3229 PWs) bands (ev): 3.4351 3.4351 4.2921 4.2921 4.5009 4.5009 5.0578 5.0578 5.2184 5.2184 5.6183 5.6183 5.7452 5.7452 5.9325 5.9325 6.0560 6.0560 6.1397 6.1397 6.7249 6.7249 7.1526 7.1526 8.5193 8.5193 9.2116 9.2116 11.4186 11.4186 11.5007 11.5007 11.6807 11.6807 12.2170 12.2170 12.9192 12.9192 k = 0.0000 0.0435-0.0000 ( 3229 PWs) bands (ev): 3.4476 3.4476 4.2965 4.2965 4.5035 4.5035 5.0538 5.0538 5.2146 5.2146 5.6125 5.6125 5.7251 5.7251 5.9304 5.9304 6.0634 6.0634 6.1591 6.1591 6.7233 6.7233 7.1688 7.1688 8.5280 8.5280 9.2178 9.2178 11.4174 11.4174 11.5036 11.5036 11.6833 11.6833 12.2235 12.2235 12.8968 12.8968 k = 0.0000 0.0543-0.0000 ( 3233 PWs) bands (ev): 3.4637 3.4637 4.3022 4.3022 4.5067 4.5067 5.0486 5.0486 5.2096 5.2096 5.6053 5.6053 5.7012 5.7012 5.9299 5.9299 6.0722 6.0722 6.1806 6.1806 6.7212 6.7212 7.1895 7.1895 8.5391 8.5391 9.2257 9.2257 11.4143 11.4143 11.5090 11.5090 11.6865 11.6865 12.2312 12.2312 12.8692 12.8692 k = 0.0000 0.0652-0.0000 ( 3235 PWs) bands (ev): 3.4832 3.4832 4.3089 4.3089 4.5107 4.5107 5.0424 5.0424 5.2036 5.2036 5.5968 5.5968 5.6743 5.6743 5.9310 5.9310 6.0821 6.0821 6.2032 6.2032 6.7188 6.7188 7.2144 7.2144 8.5528 8.5528 9.2353 9.2353 11.4090 11.4090 11.5173 11.5173 11.6902 11.6902 12.2397 12.2397 12.8370 12.8370 k = 0.0000 0.0761-0.0000 ( 3225 PWs) bands (ev): 3.5062 3.5062 4.3166 4.3166 4.5157 4.5157 5.0353 5.0353 5.1967 5.1967 5.5874 5.5874 5.6457 5.6457 5.9339 5.9339 6.0932 6.0932 6.2262 6.2262 6.7161 6.7161 7.2433 7.2433 8.5689 8.5689 9.2466 9.2466 11.4016 11.4016 11.5285 11.5285 11.6943 11.6943 12.2484 12.2484 12.8009 12.8009 k = 0.0000 0.0870-0.0000 ( 3221 PWs) bands (ev): 3.5326 3.5326 4.3249 4.3249 4.5217 4.5217 5.0272 5.0272 5.1887 5.1887 5.5770 5.5770 5.6159 5.6159 5.9382 5.9382 6.1052 6.1052 6.2488 6.2488 6.7132 6.7132 7.2761 7.2761 8.5874 8.5874 9.2596 9.2596 11.3924 11.3924 11.5422 11.5422 11.6986 11.6986 12.2569 12.2569 12.7616 12.7616 k = 0.0000 0.0978-0.0000 ( 3225 PWs) bands (ev): 3.5623 3.5623 4.3337 4.3337 4.5287 4.5287 5.0183 5.0183 5.1797 5.1797 5.5654 5.5654 5.5859 5.5859 5.9438 5.9438 6.1181 6.1181 6.2706 6.2706 6.7099 6.7099 7.3125 7.3125 8.6084 8.6084 9.2742 9.2742 11.3819 11.3819 11.5580 11.5580 11.7029 11.7029 12.2645 12.2645 12.7196 12.7196 k = 0.0000 0.1087-0.0000 ( 3221 PWs) bands (ev): 3.5953 3.5953 4.3428 4.3428 4.5369 4.5369 5.0086 5.0086 5.1698 5.1698 5.5489 5.5489 5.5603 5.5603 5.9507 5.9507 6.1319 6.1319 6.2915 6.2915 6.7066 6.7066 7.3521 7.3521 8.6317 8.6317 9.2903 9.2903 11.3705 11.3705 11.5752 11.5752 11.7069 11.7069 12.2707 12.2707 12.6755 12.6755 k = 0.0000 0.1196-0.0000 ( 3221 PWs) bands (ev): 3.6314 3.6314 4.3519 4.3519 4.5464 4.5464 4.9982 4.9982 5.1590 5.1590 5.5209 5.5209 5.5461 5.5461 5.9588 5.9588 6.1463 6.1463 6.3111 6.3111 6.7031 6.7031 7.3949 7.3949 8.6574 8.6574 9.3081 9.3081 11.3585 11.3585 11.5934 11.5934 11.7105 11.7105 12.2748 12.2748 12.6297 12.6297 k = 0.0000 0.1304-0.0000 ( 3217 PWs) bands (ev): 3.6706 3.6706 4.3607 4.3607 4.5574 4.5574 4.9873 4.9873 5.1473 5.1473 5.4909 5.4909 5.5344 5.5344 5.9679 5.9679 6.1613 6.1613 6.3293 6.3293 6.6996 6.6996 7.4405 7.4405 8.6854 8.6854 9.3273 9.3273 11.3462 11.3462 11.6121 11.6121 11.7134 11.7134 12.2762 12.2762 12.5825 12.5825 k = 0.0000 0.1413-0.0000 ( 3217 PWs) bands (ev): 3.7126 3.7126 4.3691 4.3691 4.5700 4.5700 4.9759 4.9759 5.1348 5.1348 5.4611 5.4611 5.5234 5.5234 5.9779 5.9779 6.1767 6.1767 6.3460 6.3460 6.6961 6.6961 7.4887 7.4887 8.7156 8.7156 9.3479 9.3479 11.3337 11.3337 11.6305 11.6305 11.7153 11.7153 12.2743 12.2743 12.5344 12.5344 k = 0.0000 0.1522-0.0000 ( 3217 PWs) bands (ev): 3.7574 3.7574 4.3766 4.3766 4.5842 4.5842 4.9641 4.9641 5.1216 5.1216 5.4321 5.4321 5.5132 5.5132 5.9888 5.9888 6.1925 6.1925 6.3609 6.3609 6.6926 6.6926 7.5391 7.5391 8.7478 8.7478 9.3698 9.3698 11.3211 11.3211 11.6479 11.6479 11.7163 11.7163 12.2684 12.2684 12.4856 12.4856 k = 0.0000 0.1630-0.0000 ( 3213 PWs) bands (ev): 3.8046 3.8046 4.3832 4.3832 4.6001 4.6001 4.9520 4.9520 5.1077 5.1077 5.4042 5.4042 5.5039 5.5039 6.0006 6.0006 6.2087 6.2087 6.3741 6.3741 6.6895 6.6895 7.5916 7.5916 8.7821 8.7821 9.3929 9.3929 11.3084 11.3084 11.6630 11.6630 11.7167 11.7167 12.2579 12.2579 12.4363 12.4363 k = 0.0000 0.1739-0.0000 ( 3219 PWs) bands (ev): 3.8542 3.8542 4.3887 4.3887 4.6176 4.6176 4.9397 4.9397 5.0932 5.0932 5.3773 5.3773 5.4956 5.4956 6.0130 6.0130 6.2251 6.2251 6.3853 6.3853 6.6863 6.6863 7.6459 7.6459 8.8182 8.8182 9.4171 9.4171 11.2957 11.2957 11.6734 11.6734 11.7180 11.7180 12.2424 12.2424 12.3869 12.3869 k = 0.0000 0.1848-0.0000 ( 3217 PWs) bands (ev): 3.9057 3.9057 4.3930 4.3930 4.6367 4.6367 4.9274 4.9274 5.0784 5.0784 5.3519 5.3519 5.4887 5.4887 6.0261 6.0261 6.2417 6.2417 6.3947 6.3947 6.6835 6.6835 7.7017 7.7017 8.8560 8.8560 9.4421 9.4421 11.2828 11.2828 11.6763 11.6763 11.7223 11.7223 12.2216 12.2216 12.3375 12.3375 k = 0.0000 0.1957-0.0000 ( 3213 PWs) bands (ev): 3.9589 3.9589 4.3961 4.3961 4.6573 4.6573 4.9152 4.9152 5.0635 5.0635 5.3279 5.3279 5.4833 5.4833 6.0397 6.0397 6.2585 6.2585 6.4022 6.4022 6.6809 6.6809 7.7587 7.7587 8.8953 8.8953 9.4678 9.4678 11.2695 11.2695 11.6713 11.6713 11.7293 11.7293 12.1952 12.1952 12.2884 12.2884 k = 0.0000 0.2065-0.0000 ( 3209 PWs) bands (ev): 4.0132 4.0132 4.3980 4.3980 4.6792 4.6792 4.9031 4.9031 5.0488 5.0488 5.3054 5.3054 5.4797 5.4797 6.0540 6.0540 6.2754 6.2754 6.4078 6.4078 6.6786 6.6786 7.8167 7.8167 8.9358 8.9358 9.4938 9.4938 11.2556 11.2556 11.6602 11.6602 11.7364 11.7364 12.1635 12.1635 12.2396 12.2396 k = 0.0000 0.2174-0.0000 ( 3207 PWs) bands (ev): 4.0680 4.0680 4.3988 4.3988 4.7021 4.7021 4.8913 4.8913 5.0345 5.0345 5.2846 5.2846 5.4779 5.4779 6.0687 6.0687 6.2924 6.2924 6.4114 6.4114 6.6764 6.6764 7.8754 7.8754 8.9773 8.9773 9.5196 9.5196 11.2407 11.2407 11.6446 11.6446 11.7418 11.7418 12.1267 12.1267 12.1914 12.1914 k = 0.0000 0.2283-0.0000 ( 3211 PWs) bands (ev): 4.1226 4.1226 4.3984 4.3984 4.7258 4.7258 4.8800 4.8800 5.0211 5.0211 5.2657 5.2657 5.4782 5.4782 6.0838 6.0838 6.3093 6.3093 6.4134 6.4134 6.6745 6.6745 7.9346 7.9346 9.0195 9.0195 9.5448 9.5448 11.2244 11.2244 11.6254 11.6254 11.7444 11.7444 12.0858 12.0858 12.1439 12.1439 k = 0.0000 0.2391-0.0000 ( 3207 PWs) bands (ev): 4.1761 4.1761 4.3972 4.3972 4.7502 4.7502 4.8695 4.8695 5.0089 5.0089 5.2491 5.2491 5.4805 5.4805 6.0994 6.0994 6.3261 6.3261 6.4137 6.4137 6.6727 6.6727 7.9941 7.9941 9.0620 9.0620 9.5688 9.5688 11.2062 11.2062 11.6031 11.6031 11.7438 11.7438 12.0421 12.0421 12.0973 12.0973 k = 0.0000 0.2500-0.0000 ( 3203 PWs) bands (ev): 4.2274 4.2274 4.3951 4.3951 4.7744 4.7744 4.8607 4.8607 4.9985 4.9985 5.2350 5.2350 5.4850 5.4850 6.1154 6.1154 6.3426 6.3426 6.4129 6.4129 6.6712 6.6712 8.0536 8.0536 9.1045 9.1045 9.5905 9.5905 11.1857 11.1857 11.5783 11.5783 11.7399 11.7399 11.9970 11.9970 12.0517 12.0517 k = 0.0000 0.2609-0.0000 ( 3207 PWs) bands (ev): 4.2751 4.2751 4.3923 4.3923 4.7963 4.7963 4.8554 4.8554 4.9899 4.9899 5.2239 5.2239 5.4917 5.4917 6.1319 6.1319 6.3579 6.3579 6.4117 6.4117 6.6696 6.6696 8.1129 8.1129 9.1465 9.1465 9.6090 9.6090 11.1626 11.1626 11.5518 11.5518 11.7325 11.7325 11.9524 11.9524 12.0071 12.0071 k = 0.0000 0.2717-0.0000 ( 3197 PWs) bands (ev): 4.3179 4.3179 4.3890 4.3890 4.8097 4.8097 4.8606 4.8606 4.9839 4.9839 5.2168 5.2168 5.5006 5.5006 6.1489 6.1489 6.3704 6.3704 6.4122 6.4122 6.6681 6.6681 8.1719 8.1719 9.1876 9.1876 9.6229 9.6229 11.1369 11.1369 11.5242 11.5242 11.7219 11.7219 11.9101 11.9101 11.9638 11.9638 k = 0.0000 0.2826-0.0000 ( 3201 PWs) bands (ev): 4.3540 4.3540 4.3854 4.3854 4.8101 4.8101 4.8794 4.8794 4.9809 4.9809 5.2140 5.2140 5.5116 5.5116 6.1665 6.1665 6.3762 6.3762 6.4185 6.4185 6.6665 6.6665 8.2304 8.2304 9.2272 9.2272 9.6304 9.6304 11.1092 11.1092 11.4963 11.4963 11.7083 11.7083 11.8719 11.8719 11.9218 11.9218 k = 0.0000 0.2935-0.0000 ( 3199 PWs) bands (ev): 4.3762 4.3762 4.3883 4.3883 4.8045 4.8045 4.9023 4.9023 4.9837 4.9837 5.2165 5.2165 5.5247 5.5247 6.1849 6.1849 6.3744 6.3744 6.4319 6.4319 6.6647 6.6647 8.2882 8.2882 9.2648 9.2648 9.6299 9.6299 11.0807 11.0807 11.4688 11.4688 11.6923 11.6923 11.8386 11.8386 11.8815 11.8815 k = 0.0000 0.3043-0.0000 ( 3197 PWs) bands (ev): 4.3740 4.3740 4.4079 4.4079 4.7971 4.7971 4.9183 4.9183 4.9981 4.9981 5.2247 5.2247 5.5398 5.5398 6.2038 6.2038 6.3682 6.3682 6.4497 6.4497 6.6628 6.6628 8.3454 8.3454 9.2997 9.2997 9.6194 9.6194 11.0534 11.0534 11.4425 11.4425 11.6744 11.6744 11.8105 11.8105 11.8434 11.8434 k = 0.0000 0.3152-0.0000 ( 3191 PWs) bands (ev): 4.3694 4.3694 4.4226 4.4226 4.7895 4.7895 4.9224 4.9224 5.0267 5.0267 5.2387 5.2387 5.5571 5.5571 6.2232 6.2232 6.3602 6.3602 6.4703 6.4703 6.6606 6.6606 8.4017 8.4017 9.3312 9.3312 9.5971 9.5971 11.0295 11.0295 11.4181 11.4181 11.6550 11.6550 11.7854 11.7854 11.8099 11.8099 k = 0.0000 0.3261-0.0000 ( 3185 PWs) bands (ev): 4.3644 4.3644 4.4314 4.4314 4.7819 4.7819 4.9186 4.9186 5.0634 5.0634 5.2583 5.2583 5.5763 5.5763 6.2421 6.2421 6.3519 6.3519 6.4933 6.4933 6.6583 6.6583 8.4571 8.4571 9.3582 9.3582 9.5620 9.5620 11.0115 11.0115 11.3961 11.3961 11.6348 11.6348 11.7572 11.7572 11.7867 11.7867 k = 0.0000 0.3370-0.0000 ( 3183 PWs) bands (ev): 4.3593 4.3593 4.4350 4.4350 4.7748 4.7748 4.9110 4.9110 5.1028 5.1028 5.2829 5.2829 5.5973 5.5973 6.2587 6.2587 6.3456 6.3456 6.5194 6.5194 6.6556 6.6556 8.5115 8.5115 9.3783 9.3783 9.5151 9.5151 11.0010 11.0010 11.3771 11.3771 11.6141 11.6141 11.7251 11.7251 11.7743 11.7743 k = 0.0000 0.3478-0.0000 ( 3189 PWs) bands (ev): 4.3542 4.3542 4.4345 4.4345 4.7681 4.7681 4.9011 4.9011 5.1418 5.1418 5.3111 5.3111 5.6201 5.6201 6.2689 6.2689 6.3454 6.3454 6.5494 6.5494 6.6525 6.6525 8.5650 8.5650 9.3816 9.3816 9.4659 9.4659 10.9991 10.9991 11.3614 11.3614 11.5933 11.5933 11.6929 11.6929 11.7684 11.7684 k = 0.0000 0.3587-0.0000 ( 3191 PWs) bands (ev): 4.3494 4.3494 4.4311 4.4311 4.7620 4.7620 4.8901 4.8901 5.1794 5.1794 5.3418 5.3418 5.6445 5.6445 6.2685 6.2685 6.3551 6.3551 6.5844 6.5844 6.6491 6.6491 8.6176 8.6176 9.3372 9.3372 9.4458 9.4458 11.0059 11.0059 11.3493 11.3493 11.5727 11.5727 11.6618 11.6618 11.7670 11.7670 k = 0.0000 0.3696-0.0000 ( 3187 PWs) bands (ev): 4.3449 4.3449 4.4255 4.4255 4.7567 4.7567 4.8783 4.8783 5.2147 5.2147 5.3731 5.3731 5.6704 5.6704 6.2593 6.2593 6.3724 6.3724 6.6252 6.6252 6.6462 6.6462 8.6691 8.6691 9.2538 9.2538 9.4472 9.4472 11.0207 11.0207 11.3409 11.3409 11.5528 11.5528 11.6322 11.6322 11.7693 11.7693 k = 0.0000 0.3804-0.0000 ( 3186 PWs) bands (ev): 4.3408 4.3408 4.4185 4.4185 4.7521 4.7521 4.8661 4.8661 5.2479 5.2479 5.4032 5.4032 5.6974 5.6974 6.2452 6.2452 6.3927 6.3927 6.6396 6.6396 6.6771 6.6771 8.7197 8.7197 9.1540 9.1540 9.4493 9.4493 11.0422 11.0422 11.3360 11.3360 11.5337 11.5337 11.6044 11.6044 11.7744 11.7744 k = 0.0000 0.3913-0.0000 ( 3182 PWs) bands (ev): 4.3372 4.3372 4.4104 4.4104 4.7483 4.7483 4.8540 4.8540 5.2790 5.2790 5.4309 5.4309 5.7251 5.7251 6.2283 6.2283 6.4135 6.4135 6.6354 6.6354 6.7351 6.7351 8.7692 8.7692 9.0440 9.0440 9.4478 9.4478 11.0692 11.0692 11.3343 11.3343 11.5158 11.5158 11.5784 11.5784 11.7820 11.7820 k = 0.0000 0.4022-0.0000 ( 3176 PWs) bands (ev): 4.3340 4.3340 4.4019 4.4019 4.7454 4.7454 4.8420 4.8420 5.3085 5.3085 5.4551 5.4551 5.7532 5.7532 6.2096 6.2096 6.4335 6.4335 6.6303 6.6303 6.8028 6.8028 8.8167 8.8167 8.9274 8.9274 9.4418 9.4418 11.1001 11.1001 11.3354 11.3355 11.4992 11.4992 11.5544 11.5544 11.7916 11.7916 k = 0.0000 0.4130-0.0000 ( 3180 PWs) bands (ev): 4.3315 4.3315 4.3931 4.3931 4.7434 4.7434 4.8304 4.8304 5.3361 5.3361 5.4752 5.4752 5.7813 5.7813 6.1894 6.1894 6.4521 6.4521 6.6246 6.6246 6.8799 6.8799 8.7976 8.7976 8.8707 8.8707 9.4312 9.4312 11.1334 11.1334 11.3387 11.3387 11.4843 11.4843 11.5325 11.5325 11.8031 11.8031 k = 0.0000 0.4239-0.0000 ( 3180 PWs) bands (ev): 4.3295 4.3295 4.3844 4.3844 4.7422 4.7422 4.8191 4.8191 5.3622 5.3622 5.4912 5.4912 5.8094 5.8094 6.1682 6.1682 6.4694 6.4694 6.6184 6.6184 6.9658 6.9658 8.6723 8.6723 8.9151 8.9151 9.4160 9.4160 11.1679 11.1679 11.3435 11.3435 11.4712 11.4712 11.5126 11.5126 11.8162 11.8162 k = 0.0000 0.4348-0.0000 ( 3182 PWs) bands (ev): 4.3284 4.3284 4.3760 4.3760 4.7420 4.7420 4.8085 4.8085 5.3866 5.3866 5.5030 5.5030 5.8371 5.8371 6.1459 6.1459 6.4854 6.4854 6.6118 6.6118 7.0599 7.0599 8.5420 8.5420 8.9608 8.9608 9.3967 9.3967 11.2021 11.2021 11.3488 11.3488 11.4599 11.4599 11.4949 11.4949 11.8310 11.8310 k = 0.0000 0.4457-0.0000 ( 3182 PWs) bands (ev): 4.3279 4.3279 4.3680 4.3680 4.7426 4.7426 4.7984 4.7984 5.4095 5.4095 5.5106 5.5106 5.8647 5.8647 6.1229 6.1229 6.5002 6.5002 6.6046 6.6046 7.1614 7.1614 8.4097 8.4097 9.0058 9.0058 9.3736 9.3736 11.2349 11.2349 11.3539 11.3539 11.4507 11.4507 11.4794 11.4794 11.8476 11.8476 k = 0.0000 0.4565-0.0000 ( 3190 PWs) bands (ev): 4.3283 4.3283 4.3606 4.3606 4.7441 4.7441 4.7889 4.7889 5.4305 5.4305 5.5142 5.5142 5.8920 5.8920 6.0992 6.0992 6.5139 6.5139 6.5968 6.5968 7.2694 7.2694 8.2764 8.2764 9.0498 9.0498 9.3470 9.3470 11.2652 11.2652 11.3578 11.3578 11.4436 11.4436 11.4661 11.4661 11.8662 11.8662 k = 0.0000 0.4674-0.0000 ( 3186 PWs) bands (ev): 4.3295 4.3295 4.3539 4.3539 4.7465 4.7465 4.7803 4.7803 5.4497 5.4497 5.5141 5.5141 5.9190 5.9190 6.0748 6.0748 6.5267 6.5267 6.5886 6.5886 7.3830 7.3830 8.1431 8.1431 9.0927 9.0927 9.3174 9.3174 11.2921 11.2921 11.3598 11.3598 11.4385 11.4385 11.4551 11.4551 11.8870 11.8870 k = 0.0000 0.4783-0.0000 ( 3182 PWs) bands (ev): 4.3315 4.3315 4.3478 4.3478 4.7499 4.7499 4.7725 4.7725 5.4668 5.4668 5.5105 5.5105 5.9460 5.9460 6.0500 6.0500 6.5387 6.5387 6.5798 6.5798 7.5016 7.5016 8.0106 8.0106 9.1344 9.1344 9.2850 9.2850 11.3149 11.3149 11.3590 11.3590 11.4356 11.4356 11.4465 11.4465 11.9102 11.9102 k = 0.0000 0.4891-0.0000 ( 3182 PWs) bands (ev): 4.3343 4.3343 4.3425 4.3425 4.7542 4.7542 4.7655 4.7655 5.4817 5.4817 5.5038 5.5038 5.9725 5.9725 6.0245 6.0245 6.5500 6.5500 6.5705 6.5705 7.6243 7.6243 7.8795 7.8795 9.1747 9.1747 9.2502 9.2502 11.3329 11.3329 11.3547 11.3547 11.4349 11.4349 11.4403 11.4403 11.9360 11.9360 k = 0.0000 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3380 4.3380 4.3380 4.3380 4.7594 4.7594 4.7594 4.7594 5.4941 5.4941 5.4941 5.4941 5.9987 5.9987 5.9987 5.9987 6.5605 6.5605 6.5605 6.5605 7.7505 7.7505 7.7505 7.7505 9.2134 9.2134 9.2134 9.2134 11.3461 11.3461 11.3462 11.3462 11.4364 11.4364 11.4364 11.4364 11.9642 11.9642 k = 0.0000 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3380 4.3380 4.3380 4.3380 4.7594 4.7594 4.7594 4.7594 5.4941 5.4941 5.4941 5.4941 5.9987 5.9987 5.9987 5.9987 6.5605 6.5605 6.5605 6.5605 7.7505 7.7505 7.7505 7.7505 9.2134 9.2134 9.2134 9.2134 11.3461 11.3461 11.3462 11.3462 11.4364 11.4364 11.4364 11.4364 11.9642 11.9642 k = 0.0109 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3382 4.3382 4.3398 4.3398 4.7576 4.7576 4.7607 4.7607 5.4892 5.4892 5.4991 5.4991 5.9955 5.9955 6.0017 6.0017 6.5523 6.5523 6.5665 6.5665 7.7523 7.7523 7.7524 7.7524 9.2133 9.2133 9.2148 9.2148 11.3263 11.3263 11.3393 11.3393 11.4416 11.4416 11.4539 11.4539 11.9628 11.9630 k = 0.0217 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3403 4.3403 4.3434 4.3434 4.7552 4.7552 4.7615 4.7615 5.4843 5.4843 5.5043 5.5043 5.9921 5.9921 6.0045 6.0045 6.5419 6.5419 6.5701 6.5701 7.7577 7.7577 7.7579 7.7579 9.2146 9.2146 9.2177 9.2177 11.2933 11.2933 11.3110 11.3110 11.4640 11.4640 11.4802 11.4802 11.9626 11.9626 k = 0.0326 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3443 4.3443 4.3491 4.3491 4.7523 4.7523 4.7616 4.7616 5.4794 5.4794 5.5096 5.5096 5.9887 5.9887 6.0069 6.0069 6.5294 6.5294 6.5715 6.5715 7.7667 7.7667 7.7668 7.7668 9.2173 9.2173 9.2219 9.2219 11.2544 11.2544 11.2739 11.2739 11.4913 11.4913 11.5082 11.5082 11.9641 11.9641 k = 0.0435 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3502 4.3502 4.3565 4.3565 4.7489 4.7489 4.7614 4.7614 5.4744 5.4744 5.5150 5.5150 5.9854 5.9854 6.0090 6.0090 6.5151 6.5151 6.5707 6.5707 7.7789 7.7789 7.7790 7.7790 9.2215 9.2215 9.2277 9.2277 11.2117 11.2117 11.2321 11.2321 11.5194 11.5194 11.5358 11.5358 11.9677 11.9678 k = 0.0543 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3581 4.3581 4.3660 4.3660 4.7448 4.7448 4.7604 4.7604 5.4691 5.4691 5.5206 5.5206 5.9823 5.9823 6.0109 6.0109 6.4992 6.4992 6.5680 6.5680 7.7938 7.7938 7.7944 7.7944 9.2274 9.2274 9.2352 9.2352 11.1657 11.1657 11.1869 11.1869 11.5471 11.5471 11.5625 11.5625 11.9739 11.9739 k = 0.0652 0.5000-0.0000 ( 3184 PWs) bands (ev): 4.3676 4.3676 4.3772 4.3772 4.7403 4.7403 4.7591 4.7591 5.4635 5.4635 5.5262 5.5262 5.9793 5.9793 6.0124 6.0124 6.4820 6.4820 6.5637 6.5637 7.8112 7.8112 7.8123 7.8123 9.2349 9.2349 9.2444 9.2444 11.1168 11.1168 11.1386 11.1386 11.5742 11.5742 11.5880 11.5880 11.9829 11.9829 k = 0.0761 0.5000-0.0000 ( 3184 PWs) bands (ev): 4.3790 4.3790 4.3901 4.3901 4.7354 4.7354 4.7574 4.7574 5.4575 5.4575 5.5318 5.5318 5.9767 5.9767 6.0136 6.0136 6.4639 6.4639 6.5579 6.5579 7.8306 7.8306 7.8326 7.8326 9.2444 9.2444 9.2555 9.2555 11.0652 11.0652 11.0876 11.0876 11.6004 11.6004 11.6124 11.6124 11.9952 11.9952 k = 0.0870 0.5000-0.0000 ( 3190 PWs) bands (ev): 4.3919 4.3919 4.4047 4.4047 4.7300 4.7300 4.7551 4.7551 5.4508 5.4508 5.5372 5.5372 5.9746 5.9746 6.0145 6.0145 6.4452 6.4452 6.5509 6.5509 7.8517 7.8517 7.8546 7.8546 9.2559 9.2559 9.2688 9.2688 11.0111 11.0111 11.0342 11.0342 11.6259 11.6259 11.6357 11.6357 12.0111 12.0111 k = 0.0978 0.5000-0.0000 ( 3198 PWs) bands (ev): 4.4064 4.4064 4.4209 4.4209 4.7242 4.7242 4.7525 4.7525 5.4435 5.4435 5.5423 5.5423 5.9731 5.9731 6.0152 6.0152 6.4261 6.4261 6.5430 6.5430 7.8740 7.8740 7.8780 7.8780 9.2698 9.2698 9.2844 9.2844 10.9548 10.9548 10.9786 10.9786 11.6505 11.6505 11.6581 11.6581 12.0306 12.0306 k = 0.1087 0.5000-0.0000 ( 3194 PWs) bands (ev): 4.4225 4.4225 4.4387 4.4387 4.7182 4.7182 4.7496 4.7496 5.4354 5.4354 5.5470 5.5470 5.9724 5.9724 6.0159 6.0159 6.4070 6.4070 6.5343 6.5343 7.8971 7.8971 7.9023 7.9023 9.2862 9.2862 9.3026 9.3026 10.8966 10.8966 10.9211 10.9211 11.6745 11.6745 11.6797 11.6797 12.0538 12.0538 k = 0.1196 0.5000-0.0000 ( 3202 PWs) bands (ev): 4.4399 4.4399 4.4577 4.4577 4.7118 4.7118 4.7465 4.7465 5.4265 5.4265 5.5511 5.5511 5.9724 5.9724 6.0167 6.0167 6.3878 6.3878 6.5250 6.5250 7.9205 7.9205 7.9270 7.9270 9.3052 9.3052 9.3234 9.3234 10.8368 10.8368 10.8619 10.8619 11.6980 11.6980 11.7010 11.7010 12.0806 12.0806 k = 0.1304 0.5000-0.0000 ( 3214 PWs) bands (ev): 4.4584 4.4584 4.4780 4.4780 4.7053 4.7053 4.7433 4.7433 5.4167 5.4167 5.5545 5.5545 5.9732 5.9732 6.0176 6.0176 6.3691 6.3691 6.5154 6.5154 7.9439 7.9439 7.9517 7.9517 9.3272 9.3272 9.3472 9.3472 10.7759 10.7759 10.8015 10.8015 11.7211 11.7211 11.7221 11.7221 12.1108 12.1108 k = 0.1413 0.5000-0.0000 ( 3218 PWs) bands (ev): 4.4780 4.4780 4.4991 4.4991 4.6987 4.6987 4.7401 4.7401 5.4061 5.4061 5.5570 5.5570 5.9751 5.9751 6.0191 6.0191 6.3508 6.3508 6.5056 6.5056 7.9670 7.9670 7.9760 7.9760 9.3523 9.3523 9.3740 9.3740 10.7141 10.7141 10.7402 10.7402 11.7433 11.7433 11.7441 11.7441 12.1441 12.1441 k = 0.1522 0.5000-0.0000 ( 3210 PWs) bands (ev): 4.4985 4.4985 4.5210 4.5210 4.6922 4.6922 4.7372 4.7372 5.3947 5.3947 5.5584 5.5584 5.9780 5.9780 6.0214 6.0214 6.3333 6.3333 6.4958 6.4958 7.9894 7.9894 7.9997 7.9997 9.3805 9.3805 9.4039 9.4039 10.6519 10.6519 10.6783 10.6783 11.7649 11.7649 11.7671 11.7671 12.1804 12.1804 k = 0.1630 0.5000-0.0000 ( 3208 PWs) bands (ev): 4.5195 4.5195 4.5431 4.5431 4.6860 4.6860 4.7349 4.7349 5.3826 5.3826 5.5587 5.5587 5.9818 5.9818 6.0245 6.0245 6.3162 6.3162 6.4858 6.4858 8.0109 8.0109 8.0223 8.0223 9.4119 9.4119 9.4370 9.4370 10.5898 10.5898 10.6163 10.6163 11.7870 11.7870 11.7904 11.7904 12.2194 12.2194 k = 0.1739 0.5000-0.0000 ( 3208 PWs) bands (ev): 4.5403 4.5403 4.5648 4.5648 4.6804 4.6804 4.7336 4.7336 5.3699 5.3699 5.5577 5.5577 5.9865 5.9865 6.0287 6.0287 6.2999 6.2999 6.4760 6.4760 8.0313 8.0313 8.0437 8.0437 9.4463 9.4463 9.4731 9.4731 10.5282 10.5282 10.5546 10.5546 11.8098 11.8098 11.8142 11.8142 12.2607 12.2607 k = 0.1848 0.5000-0.0000 ( 3212 PWs) bands (ev): 4.5604 4.5604 4.5852 4.5852 4.6760 4.6760 4.7339 4.7339 5.3568 5.3568 5.5556 5.5556 5.9921 5.9921 6.0341 6.0341 6.2840 6.2840 6.4663 6.4663 8.0504 8.0504 8.0637 8.0637 9.4835 9.4835 9.5120 9.5120 10.4677 10.4677 10.4937 10.4937 11.8335 11.8335 11.8387 11.8387 12.3043 12.3043 k = 0.1957 0.5000-0.0000 ( 3208 PWs) bands (ev): 4.5783 4.5783 4.6031 4.6031 4.6743 4.6743 4.7371 4.7371 5.3435 5.3435 5.5522 5.5522 5.9984 5.9984 6.0409 6.0409 6.2688 6.2688 6.4568 6.4568 8.0684 8.0684 8.0823 8.0823 9.5229 9.5229 9.5531 9.5531 10.4090 10.4090 10.4343 10.4343 11.8582 11.8582 11.8638 11.8638 12.3497 12.3499 k = 0.2065 0.5000-0.0000 ( 3212 PWs) bands (ev): 4.5917 4.5917 4.6171 4.6171 4.6772 4.6772 4.7444 4.7444 5.3301 5.3301 5.5478 5.5478 6.0053 6.0053 6.0491 6.0491 6.2541 6.2541 6.4475 6.4475 8.0850 8.0850 8.0995 8.0995 9.5637 9.5637 9.5958 9.5958 10.3531 10.3531 10.3773 10.3773 11.8838 11.8838 11.8899 11.8899 12.3968 12.3969 k = 0.2174 0.5000-0.0000 ( 3208 PWs) bands (ev): 4.5988 4.5988 4.6262 4.6262 4.6866 4.6866 4.7566 4.7566 5.3171 5.3171 5.5425 5.5425 6.0127 6.0127 6.0587 6.0587 6.2398 6.2398 6.4386 6.4386 8.1004 8.1004 8.1153 8.1153 9.6045 9.6045 9.6387 9.6387 10.3014 10.3014 10.3238 10.3238 11.9106 11.9106 11.9169 11.9169 12.4454 12.4454 k = 0.2283 0.5000-0.0000 ( 3206 PWs) bands (ev): 4.5998 4.5998 4.6305 4.6305 4.7019 4.7019 4.7732 4.7732 5.3046 5.3046 5.5367 5.5367 6.0204 6.0204 6.0697 6.0697 6.2259 6.2259 6.4300 6.4300 8.1148 8.1148 8.1298 8.1298 9.6432 9.6432 9.6799 9.6799 10.2559 10.2559 10.2761 10.2761 11.9384 11.9384 11.9449 11.9449 12.4950 12.4952 k = 0.2391 0.5000-0.0000 ( 3206 PWs) bands (ev): 4.5968 4.5968 4.6309 4.6309 4.7209 4.7209 4.7930 4.7930 5.2931 5.2931 5.5305 5.5305 6.0282 6.0282 6.0818 6.0818 6.2123 6.2123 6.4219 6.4219 8.1282 8.1282 8.1433 8.1433 9.6764 9.6764 9.7160 9.7160 10.2199 10.2199 10.2370 10.2370 11.9672 11.9672 11.9739 11.9739 12.5456 12.5462 k = 0.2500 0.5000-0.0000 ( 3210 PWs) bands (ev): 4.5916 4.5916 4.6286 4.6286 4.7416 4.7416 4.8145 4.8145 5.2827 5.2827 5.5242 5.5242 6.0359 6.0359 6.0950 6.0950 6.1990 6.1990 6.4142 6.4142 8.1408 8.1408 8.1560 8.1560 9.6997 9.6997 9.7425 9.7425 10.1975 10.1975 10.2110 10.2110 11.9972 11.9972 12.0040 12.0040 12.5968 12.5984 k = 0.2609 0.5000-0.0000 ( 3214 PWs) bands (ev): 4.5851 4.5851 4.6244 4.6244 4.7629 4.7629 4.8365 4.8365 5.2740 5.2740 5.5181 5.5181 6.0433 6.0433 6.1088 6.1088 6.1863 6.1863 6.4073 6.4073 8.1529 8.1529 8.1680 8.1680 9.7088 9.7088 9.7541 9.7541 10.1928 10.1928 10.2032 10.2032 12.0282 12.0282 12.0351 12.0351 12.6484 12.6494 k = 0.2717 0.5000-0.0000 ( 3214 PWs) bands (ev): 4.5781 4.5781 4.6190 4.6190 4.7838 4.7838 4.8579 4.8579 5.2675 5.2675 5.5126 5.5126 6.0501 6.0501 6.1221 6.1221 6.1751 6.1751 6.4011 6.4011 8.1647 8.1647 8.1796 8.1796 9.7014 9.7014 9.7479 9.7479 10.2077 10.2077 10.2161 10.2161 12.0602 12.0602 12.0672 12.0672 12.6998 12.7028 k = 0.2826 0.5000-0.0000 ( 3214 PWs) bands (ev): 4.5709 4.5709 4.6128 4.6128 4.8040 4.8040 4.8779 4.8779 5.2636 5.2636 5.5080 5.5080 6.0561 6.0561 6.1314 6.1314 6.1686 6.1686 6.3960 6.3960 8.1765 8.1765 8.1912 8.1912 9.6791 9.6791 9.7254 9.7254 10.2404 10.2404 10.2480 10.2480 12.0932 12.0932 12.1003 12.1003 12.7507 12.7543 k = 0.2935 0.5000-0.0000 ( 3206 PWs) bands (ev): 4.5635 4.5635 4.6060 4.6060 4.8231 4.8231 4.8959 4.8959 5.2628 5.2628 5.5044 5.5044 6.0611 6.0611 6.1298 6.1298 6.1738 6.1738 6.3919 6.3919 8.1883 8.1883 8.2028 8.2028 9.6456 9.6456 9.6908 9.6908 10.2866 10.2866 10.2940 10.2940 12.1272 12.1272 12.1344 12.1344 12.8010 12.8033 k = 0.3043 0.5000-0.0000 ( 3202 PWs) bands (ev): 4.5561 4.5561 4.5989 4.5989 4.8407 4.8407 4.9111 4.9111 5.2654 5.2654 5.5022 5.5022 6.0648 6.0648 6.1199 6.1199 6.1877 6.1877 6.3891 6.3891 8.2006 8.2006 8.2149 8.2149 9.6049 9.6049 9.6486 9.6486 10.3420 10.3420 10.3496 10.3496 12.1620 12.1620 12.1693 12.1693 12.8501 12.8503 k = 0.3152 0.5000-0.0000 ( 3202 PWs) bands (ev): 4.5489 4.5489 4.5914 4.5914 4.8567 4.8567 4.9234 4.9234 5.2716 5.2716 5.5015 5.5015 6.0668 6.0668 6.1071 6.1071 6.2045 6.2045 6.3875 6.3875 8.2134 8.2134 8.2275 8.2275 9.5595 9.5595 9.6018 9.6018 10.4035 10.4035 10.4111 10.4111 12.1975 12.1975 12.2049 12.2049 12.8977 12.9003 k = 0.3261 0.5000-0.0000 ( 3202 PWs) bands (ev): 4.5418 4.5418 4.5837 4.5837 4.8709 4.8709 4.9325 4.9325 5.2813 5.2813 5.5023 5.5023 6.0672 6.0672 6.0933 6.0933 6.2225 6.2225 6.3874 6.3874 8.2270 8.2270 8.2409 8.2409 9.5116 9.5116 9.5523 9.5523 10.4686 10.4686 10.4762 10.4762 12.2337 12.2337 12.2411 12.2411 12.9429 12.9437 k = 0.3370 0.5000-0.0000 ( 3198 PWs) bands (ev): 4.5350 4.5350 4.5759 4.5759 4.8833 4.8833 4.9388 4.9388 5.2944 5.2944 5.5048 5.5048 6.0657 6.0657 6.0791 6.0791 6.2409 6.2409 6.3886 6.3886 8.2416 8.2416 8.2553 8.2553 9.4621 9.4621 9.5014 9.5014 10.5358 10.5358 10.5431 10.5431 12.2704 12.2704 12.2779 12.2779 12.9858 12.9870 k = 0.3478 0.5000-0.0000 ( 3194 PWs) bands (ev): 4.5285 4.5285 4.5681 4.5681 4.8938 4.8938 4.9426 4.9426 5.3104 5.3104 5.5088 5.5088 6.0625 6.0625 6.0645 6.0645 6.2595 6.2595 6.3911 6.3911 8.2572 8.2572 8.2709 8.2709 9.4119 9.4119 9.4498 9.4498 10.6036 10.6036 10.6107 10.6107 12.3074 12.3074 12.3149 12.3149 13.0260 13.0279 k = 0.3587 0.5000-0.0000 ( 3188 PWs) bands (ev): 4.5224 4.5224 4.5604 4.5604 4.9026 4.9026 4.9443 4.9443 5.3286 5.3286 5.5144 5.5144 6.0499 6.0499 6.0575 6.0575 6.2778 6.2778 6.3947 6.3947 8.2741 8.2741 8.2877 8.2877 9.3616 9.3616 9.3980 9.3980 10.6712 10.6712 10.6778 10.6778 12.3446 12.3446 12.3520 12.3520 13.0625 13.0638 k = 0.3696 0.5000-0.0000 ( 3192 PWs) bands (ev): 4.5166 4.5166 4.5528 4.5528 4.9096 4.9096 4.9444 4.9444 5.3485 5.3485 5.5211 5.5211 6.0352 6.0352 6.0508 6.0508 6.2957 6.2957 6.3991 6.3991 8.2924 8.2924 8.3060 8.3060 9.3114 9.3114 9.3465 9.3465 10.7376 10.7376 10.7437 10.7437 12.3816 12.3816 12.3889 12.3889 13.0958 13.0965 k = 0.3804 0.5000-0.0000 ( 3192 PWs) bands (ev): 4.5113 4.5113 4.5453 4.5453 4.9151 4.9151 4.9435 4.9435 5.3696 5.3696 5.5289 5.5289 6.0207 6.0207 6.0428 6.0428 6.3131 6.3131 6.4042 6.4042 8.3120 8.3120 8.3256 8.3256 9.2618 9.2618 9.2954 9.2954 10.8020 10.8020 10.8076 10.8076 12.4183 12.4183 12.4253 12.4253 13.1244 13.1247 k = 0.3913 0.5000-0.0000 ( 3196 PWs) bands (ev): 4.5065 4.5065 4.5382 4.5382 4.9192 4.9192 4.9417 4.9417 5.3913 5.3913 5.5374 5.5374 6.0064 6.0064 6.0335 6.0335 6.3297 6.3297 6.4095 6.4095 8.3331 8.3331 8.3467 8.3467 9.2130 9.2130 9.2451 9.2451 10.8637 10.8637 10.8688 10.8688 12.4542 12.4542 12.4610 12.4610 13.1492 13.1492 k = 0.4022 0.5000-0.0000 ( 3196 PWs) bands (ev): 4.5022 4.5022 4.5313 4.5313 4.9221 4.9221 4.9397 4.9397 5.4132 5.4132 5.5463 5.5463 5.9927 5.9927 6.0233 6.0233 6.3455 6.3455 6.4150 6.4150 8.3555 8.3555 8.3692 8.3692 9.1652 9.1652 9.1957 9.1957 10.9220 10.9220 10.9267 10.9267 12.4890 12.4890 12.4954 12.4954 13.1693 13.1694 k = 0.4130 0.5000-0.0000 ( 3192 PWs) bands (ev): 4.4986 4.4986 4.5249 4.5249 4.9241 4.9241 4.9374 4.9374 5.4351 5.4351 5.5551 5.5551 5.9797 5.9797 6.0125 6.0125 6.3604 6.3604 6.4203 6.4203 8.3791 8.3791 8.3929 8.3929 9.1187 9.1187 9.1476 9.1476 10.9764 10.9764 10.9805 10.9805 12.5224 12.5224 12.5283 12.5283 13.1852 13.1852 k = 0.4239 0.5000-0.0000 ( 3188 PWs) bands (ev): 4.4955 4.4955 4.5189 4.5189 4.9253 4.9253 4.9351 4.9351 5.4565 5.4565 5.5634 5.5634 5.9677 5.9677 6.0012 6.0012 6.3741 6.3741 6.4252 6.4252 8.4038 8.4038 8.4175 8.4175 9.0739 9.0739 9.1011 9.1011 11.0261 11.0261 11.0296 11.0296 12.5537 12.5537 12.5591 12.5591 13.1972 13.1975 k = 0.4348 0.5000-0.0000 ( 3188 PWs) bands (ev): 4.4930 4.4930 4.5133 4.5133 4.9259 4.9259 4.9330 4.9330 5.4771 5.4771 5.5706 5.5706 5.9570 5.9570 5.9898 5.9898 6.3866 6.3866 6.4294 6.4294 8.4292 8.4292 8.4428 8.4428 9.0313 9.0313 9.0565 9.0565 11.0706 11.0706 11.0736 11.0736 12.5826 12.5826 12.5873 12.5873 13.2058 13.2063 k = 0.4457 0.5000-0.0000 ( 3188 PWs) bands (ev): 4.4912 4.4912 4.5083 4.5083 4.9262 4.9262 4.9311 4.9311 5.4967 5.4967 5.5763 5.5763 5.9480 5.9480 5.9786 5.9786 6.3978 6.3978 6.4328 6.4328 8.4548 8.4548 8.4679 8.4679 8.9915 8.9915 9.0144 9.0144 11.1093 11.1093 11.1119 11.1119 12.6084 12.6084 12.6124 12.6124 13.2113 13.2119 k = 0.4565 0.5000-0.0000 ( 3184 PWs) bands (ev): 4.4900 4.4900 4.5038 4.5038 4.9262 4.9262 4.9295 4.9295 5.5149 5.5149 5.5801 5.5801 5.9409 5.9409 5.9679 5.9679 6.4077 6.4077 6.4352 6.4352 8.4798 8.4798 8.4921 8.4921 8.9555 8.9555 8.9756 8.9756 11.1418 11.1418 11.1439 11.1439 12.6307 12.6307 12.6339 12.6339 13.2147 13.2152 k = 0.4674 0.5000-0.0000 ( 3188 PWs) bands (ev): 4.4894 4.4894 4.4998 4.4998 4.9261 4.9261 4.9281 4.9281 5.5316 5.5316 5.5815 5.5815 5.9361 5.9361 5.9579 5.9579 6.4161 6.4161 6.4365 6.4365 8.5032 8.5032 8.5139 8.5139 8.9247 8.9247 8.9414 8.9414 11.1677 11.1677 11.1692 11.1692 12.6488 12.6488 12.6513 12.6513 13.2163 13.2170 k = 0.4783 0.5000-0.0000 ( 3192 PWs) bands (ev): 4.4895 4.4895 4.4965 4.4965 4.9259 4.9259 4.9271 4.9271 5.5463 5.5463 5.5801 5.5801 5.9339 5.9339 5.9492 5.9492 6.4231 6.4231 6.4366 6.4366 8.5232 8.5232 8.5314 8.5314 8.9011 8.9011 8.9132 8.9132 11.1865 11.1865 11.1875 11.1875 12.6623 12.6623 12.6640 12.6640 13.2170 13.2173 k = 0.4891 0.5000-0.0000 ( 3186 PWs) bands (ev): 4.4902 4.4902 4.4938 4.4938 4.9259 4.9259 4.9264 4.9264 5.5588 5.5588 5.5759 5.5759 5.9343 5.9343 5.9422 5.9422 6.4287 6.4287 6.4354 6.4354 8.5378 8.5378 8.5423 8.5423 8.8869 8.8869 8.8935 8.8935 11.1980 11.1980 11.1985 11.1985 12.6707 12.6707 12.6716 12.6716 13.2172 13.2174 k = 0.5000 0.5000-0.0000 ( 3180 PWs) bands (ev): 4.4917 4.4917 4.4917 4.4917 4.9261 4.9261 4.9261 4.9261 5.5688 5.5688 5.5688 5.5688 5.9371 5.9371 5.9371 5.9371 6.4328 6.4328 6.4328 6.4328 8.5446 8.5446 8.5446 8.5446 8.8842 8.8842 8.8842 8.8842 11.2020 11.2020 11.2020 11.2020 12.6739 12.6739 12.6739 12.6739 13.2173 13.2173 k = 0.5000 0.5000-0.0000 ( 3180 PWs) bands (ev): 4.4917 4.4917 4.4917 4.4917 4.9261 4.9261 4.9261 4.9261 5.5688 5.5688 5.5688 5.5688 5.9371 5.9371 5.9371 5.9371 6.4328 6.4328 6.4328 6.4328 8.5446 8.5446 8.5446 8.5446 8.8842 8.8842 8.8842 8.8842 11.2020 11.2020 11.2020 11.2020 12.6739 12.6739 12.6739 12.6739 13.2173 13.2173 k = 0.4923 0.4923-0.0000 ( 3190 PWs) bands (ev): 4.4902 4.4902 4.4938 4.4938 4.9258 4.9258 4.9264 4.9264 5.5587 5.5587 5.5759 5.5759 5.9341 5.9341 5.9423 5.9423 6.4285 6.4285 6.4355 6.4355 8.5341 8.5341 8.5460 8.5460 8.8853 8.8853 8.8950 8.8950 11.1956 11.1956 11.2009 11.2009 12.6690 12.6690 12.6732 12.6732 13.2168 13.2180 k = 0.4846 0.4846-0.0000 ( 3186 PWs) bands (ev): 4.4891 4.4891 4.4969 4.4969 4.9258 4.9258 4.9272 4.9272 5.5459 5.5459 5.5807 5.5807 5.9327 5.9327 5.9504 5.9504 6.4219 6.4219 6.4379 6.4379 8.5070 8.5070 8.5489 8.5489 8.8922 8.8922 8.9209 8.9209 11.1768 11.1768 11.1974 11.1974 12.6548 12.6548 12.6713 12.6713 13.2142 13.2143 k = 0.4769 0.4769-0.0000 ( 3182 PWs) bands (ev): 4.4881 4.4881 4.5012 4.5012 4.9258 4.9258 4.9285 4.9285 5.5303 5.5303 5.5835 5.5835 5.9321 5.9321 5.9614 5.9614 6.4124 6.4124 6.4403 6.4403 8.4680 8.4680 8.5537 8.5537 8.9037 8.9037 8.9575 8.9575 11.1463 11.1463 11.1916 11.1916 12.6313 12.6313 12.6680 12.6680 13.2103 13.2104 k = 0.4692 0.4692-0.0000 ( 3190 PWs) bands (ev): 4.4870 4.4870 4.5067 4.5067 4.9258 4.9258 4.9298 4.9298 5.5122 5.5122 5.5845 5.5845 5.9321 5.9321 5.9748 5.9748 6.3999 6.3999 6.4432 6.4432 8.4214 8.4214 8.5604 8.5604 8.9196 8.9196 9.0005 9.0005 11.1053 11.1053 11.1836 11.1836 12.5989 12.5989 12.6635 12.6635 13.2049 13.2049 k = 0.4615 0.4615-0.0000 ( 3194 PWs) bands (ev): 4.4860 4.4860 4.5136 4.5136 4.9258 4.9258 4.9316 4.9316 5.4922 5.4922 5.5842 5.5842 5.9324 5.9324 5.9901 5.9901 6.3846 6.3846 6.4466 6.4466 8.3700 8.3700 8.5690 8.5690 8.9398 8.9398 9.0471 9.0471 11.0554 11.0554 11.1734 11.1734 12.5582 12.5582 12.6577 12.6577 13.1979 13.1980 k = 0.4538 0.4538-0.0000 ( 3186 PWs) bands (ev): 4.4849 4.4849 4.5219 4.5219 4.9260 4.9260 4.9335 4.9335 5.4708 5.4708 5.5830 5.5830 5.9330 5.9330 6.0066 6.0066 6.3668 6.3668 6.4507 6.4507 8.3152 8.3152 8.5794 8.5794 8.9639 8.9639 9.0956 9.0956 10.9982 10.9982 11.1611 11.1611 12.5099 12.5099 12.6506 12.6506 13.1895 13.1895 k = 0.4462 0.4462-0.0000 ( 3182 PWs) bands (ev): 4.4836 4.4836 4.5315 4.5315 4.9260 4.9260 4.9356 4.9356 5.4485 5.4485 5.5809 5.5809 5.9337 5.9337 6.0234 6.0234 6.3468 6.3468 6.4553 6.4553 8.2577 8.2577 8.5917 8.5917 8.9916 8.9916 9.1450 9.1450 10.9355 10.9355 11.1468 11.1468 12.4546 12.4546 12.6422 12.6422 13.1795 13.1795 k = 0.4385 0.4385-0.0000 ( 3194 PWs) bands (ev): 4.4821 4.4821 4.5422 4.5422 4.9259 4.9259 4.9375 4.9375 5.4257 5.4257 5.5780 5.5780 5.9344 5.9344 6.0398 6.0398 6.3253 6.3253 6.4602 6.4602 8.1979 8.1979 8.6057 8.6057 9.0227 9.0227 9.1946 9.1946 10.8690 10.8690 11.1306 11.1306 12.3929 12.3929 12.6325 12.6325 13.1681 13.1681 k = 0.4308 0.4308-0.0000 ( 3194 PWs) bands (ev): 4.4808 4.4808 4.5542 4.5542 4.9258 4.9258 4.9392 4.9392 5.4030 5.4030 5.5748 5.5748 5.9351 5.9351 6.0549 6.0549 6.3032 6.3032 6.4657 6.4657 8.1362 8.1362 8.6213 8.6213 9.0568 9.0568 9.2439 9.2439 10.8005 10.8005 11.1127 11.1127 12.3257 12.3257 12.6216 12.6216 13.1552 13.1553 k = 0.4231 0.4231-0.0000 ( 3186 PWs) bands (ev): 4.4797 4.4797 4.5672 4.5672 4.9256 4.9256 4.9404 4.9404 5.3806 5.3806 5.5713 5.5713 5.9357 5.9357 6.0675 6.0675 6.2817 6.2817 6.4716 6.4716 8.0724 8.0724 8.6386 8.6386 9.0936 9.0936 9.2923 9.2923 10.7315 10.7315 11.0931 11.0931 12.2538 12.2538 12.6095 12.6095 13.1410 13.1410 k = 0.4154 0.4154-0.0000 ( 3182 PWs) bands (ev): 4.4784 4.4784 4.5813 4.5813 4.9253 4.9253 4.9411 4.9411 5.3588 5.3588 5.5673 5.5673 5.9361 5.9361 6.0759 6.0759 6.2628 6.2628 6.4778 6.4778 8.0068 8.0068 8.6573 8.6573 9.1327 9.1327 9.3394 9.3394 10.6636 10.6636 11.0721 11.0721 12.1779 12.1779 12.5962 12.5962 13.1255 13.1256 k = 0.4077 0.4077-0.0000 ( 3186 PWs) bands (ev): 4.4772 4.4772 4.5961 4.5961 4.9248 4.9248 4.9408 4.9408 5.3379 5.3379 5.5630 5.5630 5.9361 5.9361 6.0777 6.0777 6.2488 6.2488 6.4842 6.4842 7.9391 7.9391 8.6775 8.6775 9.1737 9.1737 9.3848 9.3848 10.5983 10.5983 11.0498 11.0498 12.0986 12.0986 12.5817 12.5817 13.1088 13.1088 k = 0.4000 0.4000-0.0000 ( 3192 PWs) bands (ev): 4.4761 4.4761 4.6118 4.6118 4.9241 4.9241 4.9395 4.9395 5.3182 5.3182 5.5585 5.5585 5.9354 5.9354 6.0715 6.0715 6.2419 6.2419 6.4907 6.4907 7.8694 7.8694 8.6988 8.6988 9.2164 9.2164 9.4279 9.4279 10.5369 10.5369 11.0264 11.0264 12.0168 12.0168 12.5660 12.5660 13.0910 13.0910 k = 0.3923 0.3923-0.0000 ( 3192 PWs) bands (ev): 4.4752 4.4752 4.6281 4.6281 4.9232 4.9232 4.9372 4.9372 5.2998 5.2998 5.5539 5.5539 5.9338 5.9338 6.0575 6.0575 6.2422 6.2422 6.4972 6.4972 7.7977 7.7977 8.7210 8.7210 9.2602 9.2602 9.4682 9.4682 10.4807 10.4807 11.0021 11.0021 11.9332 11.9332 12.5493 12.5493 13.0721 13.0721 k = 0.3846 0.3846-0.0000 ( 3188 PWs) bands (ev): 4.4746 4.4746 4.6449 4.6449 4.9219 4.9219 4.9337 4.9337 5.2830 5.2830 5.5491 5.5491 5.9304 5.9304 6.0383 6.0383 6.2483 6.2483 6.5036 6.5036 7.7240 7.7240 8.7441 8.7441 9.3050 9.3050 9.5050 9.5050 10.4310 10.4310 10.9771 10.9771 11.8486 11.8486 12.5314 12.5314 13.0522 13.0522 k = 0.3769 0.3769-0.0000 ( 3192 PWs) bands (ev): 4.4741 4.4741 4.6619 4.6619 4.9199 4.9199 4.9291 4.9291 5.2675 5.2675 5.5442 5.5442 5.9238 5.9238 6.0178 6.0178 6.2579 6.2579 6.5099 6.5099 7.6485 7.6485 8.7676 8.7676 9.3502 9.3502 9.5376 9.5376 10.3890 10.3890 10.9518 10.9518 11.7636 11.7636 12.5126 12.5126 13.0315 13.0315 k = 0.3692 0.3692-0.0000 ( 3196 PWs) bands (ev): 4.4740 4.4740 4.6791 4.6791 4.9165 4.9165 4.9243 4.9243 5.2534 5.2534 5.5392 5.5392 5.9118 5.9118 5.9999 5.9999 6.2695 6.2695 6.5160 6.5160 7.5712 7.5712 8.7913 8.7913 9.3954 9.3954 9.5652 9.5652 10.3556 10.3556 10.9263 10.9263 11.6790 11.6790 12.4928 12.4928 13.0100 13.0100 k = 0.3615 0.3615-0.0000 ( 3198 PWs) bands (ev): 4.4743 4.4743 4.6963 4.6963 4.9105 4.9105 4.9203 4.9203 5.2405 5.2405 5.5341 5.5341 5.8929 5.8929 5.9874 5.9874 6.2822 6.2822 6.5217 6.5217 7.4924 7.4924 8.8147 8.8147 9.4404 9.4404 9.5874 9.5874 10.3316 10.3316 10.9010 10.9010 11.5956 11.5956 12.4721 12.4721 12.9879 12.9879 k = 0.3538 0.3538-0.0000 ( 3198 PWs) bands (ev): 4.4749 4.4749 4.7131 4.7131 4.9024 4.9024 4.9171 4.9171 5.2284 5.2284 5.5289 5.5289 5.8682 5.8682 5.9801 5.9801 6.2954 6.2954 6.5270 6.5270 7.4125 7.4125 8.8373 8.8373 9.4846 9.4846 9.6037 9.6037 10.3176 10.3176 10.8761 10.8761 11.5142 11.5142 12.4505 12.4505 12.9652 12.9652 k = 0.3462 0.3462-0.0000 ( 3204 PWs) bands (ev): 4.4760 4.4760 4.7294 4.7294 4.8931 4.8931 4.9139 4.9139 5.2168 5.2168 5.5235 5.5235 5.8398 5.8398 5.9763 5.9763 6.3086 6.3086 6.5318 6.5318 7.3317 7.3317 8.8587 8.8587 9.5274 9.5274 9.6143 9.6143 10.3134 10.3134 10.8521 10.8521 11.4355 11.4355 12.4282 12.4282 12.9420 12.9421 k = 0.3385 0.3385-0.0000 ( 3198 PWs) bands (ev): 4.4775 4.4775 4.7447 4.7447 4.8834 4.8834 4.9104 4.9104 5.2054 5.2054 5.5179 5.5179 5.8101 5.8101 5.9745 5.9745 6.3220 6.3220 6.5361 6.5361 7.2506 7.2506 8.8783 8.8783 9.5679 9.5679 9.6202 9.6202 10.3184 10.3184 10.8293 10.8293 11.3606 11.3606 12.4051 12.4051 12.9186 12.9187 k = 0.3308 0.3308-0.0000 ( 3198 PWs) bands (ev): 4.4796 4.4796 4.7583 4.7583 4.8740 4.8740 4.9063 4.9063 5.1936 5.1936 5.5119 5.5119 5.7803 5.7803 5.9738 5.9738 6.3352 6.3352 6.5398 6.5398 7.1697 7.1697 8.8953 8.8953 9.6011 9.6011 9.6263 9.6263 10.3318 10.3318 10.8082 10.8082 11.2903 11.2903 12.3815 12.3815 12.8952 12.8953 k = 0.3231 0.3231-0.0000 ( 3202 PWs) bands (ev): 4.4822 4.4822 4.7693 4.7693 4.8658 4.8658 4.9017 4.9017 5.1810 5.1810 5.5055 5.5055 5.7511 5.7511 5.9735 5.9735 6.3482 6.3482 6.5426 6.5426 7.0897 7.0897 8.9089 8.9089 9.6089 9.6089 9.6514 9.6514 10.3525 10.3525 10.7892 10.7892 11.2255 11.2255 12.3573 12.3573 12.8722 12.8722 k = 0.3154 0.3154-0.0000 ( 3190 PWs) bands (ev): 4.4855 4.4855 4.7765 4.7765 4.8601 4.8601 4.8968 4.8968 5.1673 5.1673 5.4986 5.4986 5.7235 5.7235 5.9736 5.9736 6.3612 6.3612 6.5448 6.5448 7.0113 7.0113 8.9184 8.9184 9.6034 9.6034 9.6834 9.6834 10.3793 10.3793 10.7729 10.7729 11.1673 11.1673 12.3326 12.3326 12.8499 12.8499 k = 0.3077 0.3077-0.0000 ( 3184 PWs) bands (ev): 4.4893 4.4893 4.7783 4.7783 4.8574 4.8574 4.8921 4.8921 5.1521 5.1521 5.4910 5.4910 5.6979 5.6979 5.9735 5.9735 6.3739 6.3739 6.5461 6.5461 6.9352 6.9352 8.9231 8.9231 9.5940 9.5940 9.7130 9.7130 10.4112 10.4112 10.7597 10.7597 11.1165 11.1165 12.3075 12.3075 12.8287 12.8287 k = 0.3000 0.3000-0.0000 ( 3180 PWs) bands (ev): 4.4938 4.4938 4.7747 4.7747 4.8563 4.8563 4.8887 4.8887 5.1353 5.1353 5.4825 5.4825 5.6747 5.6747 5.9731 5.9731 6.3861 6.3861 6.5461 6.5461 6.8624 6.8624 8.9220 8.9220 9.5821 9.5821 9.7387 9.7387 10.4475 10.4475 10.7501 10.7501 11.0741 11.0741 12.2822 12.2822 12.8089 12.8089 k = 0.2923 0.2923-0.0000 ( 3180 PWs) bands (ev): 4.4988 4.4988 4.7672 4.7672 4.8531 4.8531 4.8886 4.8886 5.1168 5.1168 5.4732 5.4732 5.6543 5.6543 5.9721 5.9721 6.3981 6.3981 6.5446 6.5446 6.7941 6.7941 8.9146 8.9146 9.5680 9.5680 9.7598 9.7598 10.4876 10.4876 10.7446 10.7446 11.0407 11.0407 12.2566 12.2566 12.7905 12.7905 k = 0.2846 0.2846-0.0000 ( 3178 PWs) bands (ev): 4.5045 4.5045 4.7573 4.7573 4.8460 4.8460 4.8915 4.8915 5.0969 5.0969 5.4631 5.4631 5.6370 5.6370 5.9700 5.9700 6.4098 6.4098 6.5410 6.5410 6.7315 6.7315 8.9004 8.9004 9.5520 9.5520 9.7760 9.7760 10.5311 10.5311 10.7435 10.7435 11.0169 11.0169 12.2309 12.2309 12.7737 12.7737 k = 0.2769 0.2769-0.0000 ( 3182 PWs) bands (ev): 4.5107 4.5107 4.7457 4.7457 4.8355 4.8355 4.8947 4.8947 5.0764 5.0764 5.4523 5.4523 5.6227 5.6227 5.9666 5.9666 6.4210 6.4210 6.5342 6.5342 6.6769 6.6769 8.8790 8.8790 9.5339 9.5339 9.7870 9.7870 10.5778 10.5778 10.7471 10.7471 11.0029 11.0029 12.2051 12.2051 12.7585 12.7585 k = 0.2692 0.2692-0.0000 ( 3186 PWs) bands (ev): 4.5173 4.5173 4.7332 4.7332 4.8226 4.8226 4.8955 4.8955 5.0569 5.0569 5.4412 5.4412 5.6114 5.6114 5.9615 5.9615 6.4316 6.4316 6.5219 6.5219 6.6330 6.6330 8.8505 8.8505 9.5136 9.5136 9.7927 9.7927 10.6275 10.6275 10.7554 10.7554 10.9986 10.9986 12.1794 12.1794 12.7449 12.7449 k = 0.2615 0.2615-0.0000 ( 3200 PWs) bands (ev): 4.5242 4.5242 4.7197 4.7197 4.8075 4.8075 4.8909 4.8909 5.0408 5.0408 5.4301 5.4301 5.6026 5.6026 5.9544 5.9544 6.4412 6.4412 6.5023 6.5023 6.6027 6.6027 8.8150 8.8150 9.4912 9.4912 9.7933 9.7933 10.6799 10.6799 10.7687 10.7687 11.0038 11.0038 12.1538 12.1538 12.7331 12.7331 k = 0.2538 0.2538-0.0000 ( 3200 PWs) bands (ev): 4.5309 4.5309 4.7053 4.7053 4.7909 4.7909 4.8789 4.8789 5.0305 5.0305 5.4194 5.4194 5.5963 5.5963 5.9451 5.9451 6.4479 6.4479 6.4792 6.4792 6.5848 6.5848 8.7730 8.7730 9.4664 9.4664 9.7891 9.7891 10.7337 10.7337 10.7876 10.7876 11.0179 11.0179 12.1283 12.1283 12.7233 12.7233 k = 0.2462 0.2462-0.0000 ( 3204 PWs) bands (ev): 4.5367 4.5367 4.6896 4.6896 4.7730 4.7730 4.8595 4.8595 5.0267 5.0267 5.4095 5.4095 5.5921 5.5921 5.9334 5.9334 6.4400 6.4400 6.4693 6.4693 6.5742 6.5742 8.7251 8.7251 9.4392 9.4392 9.7806 9.7806 10.7831 10.7831 10.8177 10.8177 11.0399 11.0399 12.1032 12.1032 12.7158 12.7158 k = 0.2385 0.2385-0.0000 ( 3194 PWs) bands (ev): 4.5403 4.5403 4.6729 4.6729 4.7546 4.7546 4.8351 4.8351 5.0282 5.0282 5.4006 5.4006 5.5896 5.5896 5.9197 5.9197 6.4194 6.4194 6.4740 6.4740 6.5676 6.5676 8.6720 8.6720 9.4097 9.4097 9.7682 9.7682 10.8172 10.8172 10.8694 10.8694 11.0688 11.0688 12.0784 12.0784 12.7106 12.7106 k = 0.2308 0.2308-0.0000 ( 3190 PWs) bands (ev): 4.5385 4.5385 4.6563 4.6563 4.7364 4.7364 4.8089 4.8089 5.0332 5.0332 5.3927 5.3927 5.5887 5.5887 5.9040 5.9040 6.4004 6.4004 6.4797 6.4797 6.5635 6.5635 8.6143 8.6143 9.3779 9.3779 9.7525 9.7525 10.8455 10.8455 10.9326 10.9326 11.1035 11.1035 12.0540 12.0540 12.7079 12.7079 k = 0.2231 0.2231-0.0000 ( 3190 PWs) bands (ev): 4.5266 4.5266 4.6432 4.6432 4.7191 4.7191 4.7833 4.7833 5.0402 5.0402 5.3860 5.3860 5.5891 5.5891 5.8871 5.8871 6.3852 6.3852 6.4838 6.4838 6.5616 6.5616 8.5529 8.5529 9.3438 9.3438 9.7340 9.7340 10.8739 10.8739 11.0007 11.0007 11.1426 11.1426 12.0300 12.0300 12.7079 12.7079 k = 0.2154 0.2154-0.0000 ( 3182 PWs) bands (ev): 4.5006 4.5006 4.6366 4.6366 4.7031 4.7031 4.7605 4.7605 5.0485 5.0485 5.3807 5.3807 5.5908 5.5908 5.8695 5.8695 6.3736 6.3736 6.4855 6.4855 6.5621 6.5621 8.4886 8.4886 9.3078 9.3078 9.7133 9.7133 10.9033 10.9033 11.0724 11.0724 11.1849 11.1849 12.0066 12.0066 12.7103 12.7103 k = 0.2077 0.2077-0.0000 ( 3183 PWs) bands (ev): 4.4622 4.4622 4.6347 4.6347 4.6878 4.6878 4.7424 4.7424 5.0575 5.0575 5.3766 5.3766 5.5936 5.5936 5.8517 5.8517 6.3649 6.3649 6.4842 6.4842 6.5650 6.5650 8.4219 8.4219 9.2700 9.2700 9.6908 9.6908 10.9335 10.9335 11.1471 11.1471 11.2292 11.2292 11.9838 11.9838 12.7149 12.7149 k = 0.2000 0.2000-0.0000 ( 3193 PWs) bands (ev): 4.4152 4.4152 4.6326 4.6326 4.6726 4.6726 4.7314 4.7314 5.0669 5.0669 5.3737 5.3737 5.5974 5.5974 5.8342 5.8342 6.3585 6.3585 6.4799 6.4799 6.5699 6.5699 8.3535 8.3535 9.2307 9.2307 9.6668 9.6668 10.9643 10.9643 11.2244 11.2244 11.2742 11.2742 11.9617 11.9617 12.7207 12.7207 k = 0.1923 0.1923-0.0000 ( 3189 PWs) bands (ev): 4.3628 4.3628 4.6257 4.6257 4.6585 4.6585 4.7291 4.7291 5.0765 5.0765 5.3721 5.3721 5.6023 5.6023 5.8174 5.8174 6.3539 6.3539 6.4735 6.4735 6.5765 6.5765 8.2841 8.2841 9.1902 9.1902 9.6418 9.6418 10.9953 10.9953 11.3023 11.3023 11.3207 11.3207 11.9402 11.9402 12.7266 12.7266 k = 0.1846 0.1846-0.0000 ( 3193 PWs) bands (ev): 4.3071 4.3071 4.6118 4.6118 4.6470 4.6470 4.7344 4.7344 5.0862 5.0862 5.3718 5.3718 5.6080 5.6080 5.8017 5.8017 6.3502 6.3502 6.4652 6.4652 6.5842 6.5842 8.2140 8.2140 9.1488 9.1488 9.6161 9.6161 11.0263 11.0263 11.3574 11.3574 11.3906 11.3906 11.9195 11.9195 12.7302 12.7303 k = 0.1769 0.1769-0.0000 ( 3191 PWs) bands (ev): 4.2495 4.2495 4.5932 4.5932 4.6372 4.6372 4.7455 4.7455 5.0959 5.0959 5.3729 5.3729 5.6145 5.6145 5.7874 5.7874 6.3470 6.3470 6.4555 6.4555 6.5926 6.5926 8.1437 8.1437 9.1068 9.1068 9.5899 9.5899 11.0571 11.0571 11.3978 11.3978 11.4745 11.4745 11.8996 11.8996 12.7291 12.7291 k = 0.1692 0.1692-0.0000 ( 3187 PWs) bands (ev): 4.1911 4.1911 4.5725 4.5725 4.6280 4.6280 4.7602 4.7602 5.1054 5.1054 5.3752 5.3752 5.6218 5.6218 5.7745 5.7745 6.3438 6.3438 6.4445 6.4445 6.6014 6.6014 8.0737 8.0737 9.0644 9.0644 9.5635 9.5635 11.0875 11.0875 11.4338 11.4338 11.5609 11.5609 11.8806 11.8806 12.7204 12.7204 k = 0.1615 0.1615-0.0000 ( 3197 PWs) bands (ev): 4.1325 4.1325 4.5511 4.5511 4.6189 4.6189 4.7771 4.7771 5.1146 5.1146 5.3789 5.3789 5.6296 5.6296 5.7632 5.7632 6.3400 6.3400 6.4325 6.4325 6.6103 6.6103 8.0043 8.0043 9.0221 9.0221 9.5371 9.5371 11.1173 11.1173 11.4654 11.4654 11.6487 11.6487 11.8627 11.8627 12.7028 12.7028 k = 0.1538 0.1538-0.0000 ( 3197 PWs) bands (ev): 4.0743 4.0743 4.5296 4.5296 4.6099 4.6099 4.7957 4.7957 5.1235 5.1235 5.3841 5.3841 5.6378 5.6378 5.7539 5.7539 6.3357 6.3357 6.4196 6.4196 6.6194 6.6194 7.9359 7.9359 8.9801 8.9801 9.5109 9.5109 11.1463 11.1463 11.4923 11.4923 11.7369 11.7369 11.8466 11.8466 12.6766 12.6766 k = 0.1462 0.1462-0.0000 ( 3197 PWs) bands (ev): 4.0172 4.0172 4.5084 4.5084 4.6011 4.6011 4.8153 4.8153 5.1320 5.1320 5.3908 5.3908 5.6460 5.6460 5.7468 5.7468 6.3302 6.3302 6.4059 6.4059 6.6285 6.6285 7.8686 7.8686 8.9388 8.9388 9.4850 9.4850 11.1745 11.1745 11.5145 11.5145 11.8108 11.8108 11.8464 11.8464 12.6436 12.6436 k = 0.1385 0.1385-0.0000 ( 3197 PWs) bands (ev): 3.9614 3.9614 4.4876 4.4876 4.5923 4.5923 4.8357 4.8357 5.1400 5.1400 5.3991 5.3991 5.6540 5.6540 5.7422 5.7422 6.3234 6.3234 6.3915 6.3915 6.6375 6.6375 7.8029 7.8029 8.8983 8.8983 9.4597 9.4597 11.2016 11.2016 11.5320 11.5320 11.8084 11.8084 11.9239 11.9239 12.6062 12.6062 k = 0.1308 0.1308-0.0000 ( 3203 PWs) bands (ev): 3.9072 3.9072 4.4674 4.4674 4.5837 4.5837 4.8565 4.8565 5.1474 5.1474 5.4090 5.4090 5.6610 5.6610 5.7407 5.7407 6.3151 6.3151 6.3766 6.3766 6.6463 6.6463 7.7389 7.7389 8.8590 8.8590 9.4349 9.4349 11.2276 11.2276 11.5448 11.5448 11.7948 11.7948 12.0132 12.0132 12.5666 12.5666 k = 0.1231 0.1231-0.0000 ( 3201 PWs) bands (ev): 3.8551 3.8551 4.4481 4.4481 4.5753 4.5753 4.8774 4.8774 5.1543 5.1543 5.4206 5.4206 5.6668 5.6668 5.7426 5.7426 6.3050 6.3050 6.3612 6.3612 6.6550 6.6550 7.6769 7.6769 8.8210 8.8210 9.4110 9.4110 11.2525 11.2525 11.5534 11.5534 11.7814 11.7814 12.1029 12.1029 12.5265 12.5265 k = 0.1154 0.1154-0.0000 ( 3207 PWs) bands (ev): 3.8052 3.8052 4.4295 4.4295 4.5671 4.5671 4.8981 4.8981 5.1607 5.1607 5.4337 5.4337 5.6709 5.6709 5.7481 5.7481 6.2932 6.2932 6.3453 6.3453 6.6633 6.6633 7.6171 7.6171 8.7847 8.7847 9.3879 9.3879 11.2760 11.2760 11.5580 11.5580 11.7686 11.7686 12.1915 12.1915 12.4871 12.4871 k = 0.1077 0.1077-0.0000 ( 3203 PWs) bands (ev): 3.7577 3.7577 4.4119 4.4119 4.5592 4.5592 4.9186 4.9186 5.1665 5.1665 5.4484 5.4484 5.6738 5.6738 5.7569 5.7569 6.2795 6.2795 6.3293 6.3293 6.6714 6.6714 7.5598 7.5598 8.7502 8.7502 9.3658 9.3658 11.2981 11.2981 11.5592 11.5592 11.7566 11.7566 12.2784 12.2784 12.4494 12.4494 k = 0.1000 0.1000-0.0000 ( 3207 PWs) bands (ev): 3.7128 3.7128 4.3952 4.3952 4.5515 4.5515 4.9383 4.9383 5.1720 5.1720 5.4644 5.4644 5.6759 5.6759 5.7683 5.7683 6.2640 6.2640 6.3129 6.3129 6.6790 6.6790 7.5052 7.5052 8.7176 8.7176 9.3448 9.3448 11.3187 11.3187 11.5573 11.5573 11.7455 11.7455 12.3626 12.3626 12.4143 12.4143 k = 0.0923 0.0923-0.0000 ( 3213 PWs) bands (ev): 3.6707 3.6707 4.3796 4.3796 4.5442 4.5442 4.9571 4.9571 5.1770 5.1770 5.4815 5.4815 5.6779 5.6779 5.7816 5.7816 6.2467 6.2467 6.2962 6.2962 6.6862 6.6862 7.4534 7.4534 8.6870 8.6870 9.3250 9.3250 11.3378 11.3378 11.5530 11.5530 11.7352 11.7352 12.3808 12.3808 12.4445 12.4445 k = 0.0846 0.0846-0.0000 ( 3209 PWs) bands (ev): 3.6315 3.6315 4.3652 4.3652 4.5374 4.5374 4.9749 4.9749 5.1820 5.1820 5.4997 5.4997 5.6803 5.6803 5.7965 5.7965 6.2279 6.2279 6.2791 6.2791 6.6929 6.6929 7.4047 7.4047 8.6587 8.6587 9.3064 9.3064 11.3551 11.3551 11.5468 11.5468 11.7258 11.7258 12.3513 12.3513 12.5216 12.5216 k = 0.0769 0.0769-0.0000 ( 3213 PWs) bands (ev): 3.5954 3.5954 4.3518 4.3518 4.5309 4.5309 4.9912 4.9912 5.1869 5.1869 5.5184 5.5184 5.6833 5.6833 5.8124 5.8124 6.2077 6.2077 6.2617 6.2617 6.6991 6.6991 7.3594 7.3594 8.6327 8.6327 9.2892 9.2892 11.3707 11.3707 11.5393 11.5393 11.7173 11.7173 12.3246 12.3246 12.5940 12.5940 k = 0.0692 0.0692-0.0000 ( 3219 PWs) bands (ev): 3.5625 3.5625 4.3394 4.3394 4.5249 4.5249 5.0060 5.0060 5.1918 5.1918 5.5372 5.5372 5.6875 5.6875 5.8291 5.8291 6.1864 6.1864 6.2439 6.2439 6.7047 6.7047 7.3176 7.3176 8.6091 8.6091 9.2734 9.2734 11.3843 11.3843 11.5312 11.5312 11.7095 11.7095 12.3009 12.3009 12.6608 12.6608 k = 0.0615 0.0615-0.0000 ( 3227 PWs) bands (ev): 3.5327 3.5327 4.3283 4.3283 4.5193 4.5193 5.0190 5.0190 5.1967 5.1967 5.5555 5.5555 5.6932 5.6932 5.8462 5.8462 6.1644 6.1644 6.2257 6.2257 6.7095 6.7095 7.2796 7.2796 8.5879 8.5879 9.2591 9.2591 11.3957 11.3957 11.5231 11.5231 11.7027 11.7027 12.2802 12.2802 12.7215 12.7215 k = 0.0538 0.0538-0.0000 ( 3231 PWs) bands (ev): 3.5063 3.5063 4.3184 4.3184 4.5144 4.5144 5.0302 5.0302 5.2016 5.2016 5.5727 5.5727 5.7006 5.7006 5.8636 5.8636 6.1420 6.1420 6.2073 6.2073 6.7138 6.7138 7.2456 7.2456 8.5692 8.5692 9.2463 9.2463 11.4049 11.4049 11.5156 11.5156 11.6967 11.6967 12.2625 12.2625 12.7754 12.7754 k = 0.0462 0.0462-0.0000 ( 3231 PWs) bands (ev): 3.4833 3.4833 4.3099 4.3099 4.5101 4.5101 5.0396 5.0396 5.2065 5.2065 5.5879 5.5879 5.7103 5.7103 5.8807 5.8807 6.1199 6.1199 6.1889 6.1889 6.7175 6.7175 7.2157 7.2157 8.5530 8.5530 9.2352 9.2352 11.4117 11.4117 11.5093 11.5093 11.6915 11.6915 12.2475 12.2475 12.8221 12.8221 k = 0.0385 0.0385-0.0000 ( 3231 PWs) bands (ev): 3.4638 3.4638 4.3027 4.3027 4.5064 4.5064 5.0473 5.0473 5.2110 5.2110 5.6006 5.6006 5.7221 5.7221 5.8972 5.8972 6.0986 6.0986 6.1707 6.1707 6.7206 6.7206 7.1902 7.1902 8.5393 8.5393 9.2256 9.2256 11.4160 11.4160 11.5047 11.5047 11.6871 11.6871 12.2351 12.2351 12.8615 12.8615 k = 0.0308 0.0308-0.0000 ( 3231 PWs) bands (ev): 3.4477 3.4477 4.2967 4.2967 4.5033 4.5033 5.0532 5.0532 5.2151 5.2151 5.6105 5.6105 5.7354 5.7354 5.9122 5.9122 6.0793 6.0793 6.1532 6.1532 6.7230 6.7230 7.1692 7.1692 8.5280 8.5280 9.2178 9.2178 11.4182 11.4182 11.5017 11.5017 11.6836 11.6836 12.2251 12.2251 12.8935 12.8935 k = 0.0231 0.0231-0.0000 ( 3225 PWs) bands (ev): 3.4351 3.4351 4.2921 4.2921 4.5009 4.5009 5.0577 5.0577 5.2187 5.2187 5.6177 5.6177 5.7491 5.7491 5.9247 5.9247 6.0633 6.0633 6.1370 6.1370 6.7248 6.7248 7.1527 7.1527 8.5193 8.5193 9.2116 9.2116 11.4189 11.4189 11.5001 11.5001 11.6808 11.6808 12.2176 12.2176 12.9181 12.9181 k = 0.0154 0.0154-0.0000 ( 3221 PWs) bands (ev): 3.4262 3.4262 4.2888 4.2888 4.4992 4.4992 5.0608 5.0608 5.2213 5.2213 5.6226 5.6226 5.7613 5.7613 5.9337 5.9337 6.0520 6.0520 6.1233 6.1233 6.7262 6.7262 7.1409 7.1409 8.5131 8.5131 9.2072 9.2072 11.4187 11.4187 11.4994 11.4994 11.6788 11.6788 12.2122 12.2122 12.9356 12.9356 k = 0.0077 0.0077-0.0000 ( 3221 PWs) bands (ev): 3.4208 3.4208 4.2868 4.2868 4.4982 4.4982 5.0626 5.0626 5.2229 5.2229 5.6253 5.6253 5.7699 5.7699 5.9386 5.9386 6.0461 6.0461 6.1135 6.1135 6.7270 6.7270 7.1338 7.1338 8.5093 8.5093 9.2046 9.2046 11.4183 11.4183 11.4993 11.4993 11.6777 11.6777 12.2091 12.2091 12.9460 12.9460 k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): 3.4190 3.4190 4.2863 4.2863 4.4979 4.4979 5.0634 5.0634 5.2236 5.2236 5.6263 5.6263 5.7731 5.7731 5.9401 5.9401 6.0446 6.0446 6.1100 6.1100 6.7274 6.7274 7.1314 7.1314 8.5081 8.5081 9.2037 9.2037 11.4182 11.4182 11.4992 11.4992 11.6773 11.6773 12.2080 12.2080 12.9495 12.9495 k = 0.0000 0.0000 0.0000 ( 3205 PWs) bands (ev): 3.4190 3.4190 4.2863 4.2863 4.4979 4.4979 5.0634 5.0634 5.2236 5.2236 5.6263 5.6263 5.7731 5.7731 5.9401 5.9401 6.0446 6.0446 6.1100 6.1100 6.7274 6.7274 7.1314 7.1314 8.5081 8.5081 9.2037 9.2037 11.4182 11.4182 11.4992 11.4992 11.6773 11.6773 12.2080 12.2080 12.9495 12.9495 k = 0.0000 0.0000 0.0109 ( 3213 PWs) bands (ev): 3.4205 3.4205 4.2863 4.2863 4.4983 4.4983 5.0633 5.0633 5.2236 5.2236 5.6263 5.6263 5.7727 5.7727 5.9402 5.9402 6.0441 6.0441 6.1100 6.1100 6.7273 6.7273 7.1247 7.1247 8.5110 8.5110 9.2039 9.2039 11.4193 11.4193 11.5003 11.5003 11.6774 11.6774 12.2122 12.2122 12.9495 12.9495 k = 0.0000 0.0000 0.0219 ( 3225 PWs) bands (ev): 3.4251 3.4251 4.2867 4.2867 4.4995 4.4995 5.0631 5.0631 5.2235 5.2235 5.6260 5.6260 5.7715 5.7715 5.9407 5.9407 6.0431 6.0431 6.1103 6.1103 6.7272 6.7272 7.1051 7.1051 8.5194 8.5194 9.2047 9.2047 11.4226 11.4226 11.5036 11.5036 11.6776 11.6776 12.2247 12.2247 12.9497 12.9497 k = 0.0000 0.0000 0.0328 ( 3240 PWs) bands (ev): 3.4328 3.4328 4.2873 4.2873 4.5017 4.5017 5.0630 5.0630 5.2235 5.2235 5.6258 5.6258 5.7697 5.7697 5.9413 5.9413 6.0414 6.0414 6.1107 6.1107 6.7267 6.7267 7.0733 7.0733 8.5327 8.5327 9.2058 9.2058 11.4281 11.4281 11.5089 11.5089 11.6779 11.6779 12.2454 12.2454 12.9501 12.9501 k = 0.0000 0.0000 0.0438 ( 3240 PWs) bands (ev): 3.4435 3.4435 4.2882 4.2882 4.5047 4.5047 5.0631 5.0631 5.2236 5.2236 5.6256 5.6256 5.7671 5.7671 5.9424 5.9424 6.0393 6.0393 6.1113 6.1113 6.7265 6.7265 7.0309 7.0309 8.5496 8.5496 9.2075 9.2075 11.4359 11.4359 11.5164 11.5164 11.6784 11.6784 12.2740 12.2740 12.9506 12.9506 k = 0.0000 0.0000 0.0547 ( 3244 PWs) bands (ev): 3.4571 3.4571 4.2894 4.2894 4.5084 4.5084 5.0631 5.0631 5.2237 5.2237 5.6253 5.6253 5.7637 5.7637 5.9436 5.9436 6.0366 6.0366 6.1121 6.1121 6.7262 6.7262 6.9793 6.9793 8.5690 8.5690 9.2095 9.2095 11.4458 11.4458 11.5260 11.5260 11.6791 11.6791 12.3100 12.3100 12.9512 12.9512 k = 0.0000 0.0000 0.0657 ( 3244 PWs) bands (ev): 3.4735 3.4735 4.2907 4.2907 4.5130 4.5130 5.0632 5.0632 5.2239 5.2239 5.6251 5.6251 5.7596 5.7596 5.9451 5.9451 6.0334 6.0334 6.1131 6.1131 6.7258 6.7258 6.9203 6.9203 8.5897 8.5897 9.2119 9.2119 11.4579 11.4579 11.5375 11.5375 11.6801 11.6801 12.3532 12.3532 12.9519 12.9519 k = 0.0000 0.0000 0.0766 ( 3244 PWs) bands (ev): 3.4927 3.4927 4.2923 4.2923 4.5182 4.5182 5.0632 5.0632 5.2242 5.2242 5.6248 5.6248 5.7545 5.7545 5.9468 5.9468 6.0298 6.0298 6.1141 6.1141 6.7254 6.7254 6.8555 6.8555 8.6106 8.6106 9.2147 9.2147 11.4720 11.4720 11.5509 11.5509 11.6813 11.6813 12.4028 12.4028 12.9527 12.9527 k = 0.0000 0.0000 0.0875 ( 3232 PWs) bands (ev): 3.5143 3.5143 4.2940 4.2940 4.5240 4.5240 5.0633 5.0633 5.2248 5.2248 5.6246 5.6246 5.7485 5.7485 5.9488 5.9488 6.0260 6.0260 6.1154 6.1154 6.7249 6.7249 6.7866 6.7866 8.6309 8.6309 9.2177 9.2177 11.4882 11.4882 11.5659 11.5659 11.6829 11.6829 12.4582 12.4582 12.9537 12.9537 k = 0.0000 0.0000 0.0985 ( 3236 PWs) bands (ev): 3.5384 3.5384 4.2959 4.2959 4.5302 4.5302 5.0633 5.0633 5.2253 5.2253 5.6242 5.6242 5.7414 5.7414 5.9507 5.9507 6.0217 6.0217 6.1166 6.1166 6.7149 6.7149 6.7244 6.7244 8.6500 8.6500 9.2210 9.2210 11.5064 11.5064 11.5823 11.5823 11.6850 11.6850 12.5184 12.5184 12.9547 12.9547 k = 0.0000 0.0000 0.1094 ( 3240 PWs) bands (ev): 3.5646 3.5646 4.2979 4.2979 4.5367 4.5367 5.0634 5.0634 5.2260 5.2260 5.6238 5.6238 5.7331 5.7331 5.9526 5.9526 6.0173 6.0173 6.1178 6.1178 6.6419 6.6419 6.7239 6.7239 8.6674 8.6674 9.2244 9.2244 11.5264 11.5264 11.5997 11.5997 11.6881 11.6881 12.5825 12.5825 12.9557 12.9557 k = 0.0000 0.0000 0.1204 ( 3236 PWs) bands (ev): 3.5927 3.5927 4.3001 4.3001 4.5435 4.5435 5.0634 5.0634 5.2268 5.2268 5.6233 5.6233 5.7234 5.7234 5.9548 5.9548 6.0127 6.0127 6.1192 6.1192 6.5689 6.5689 6.7235 6.7235 8.6828 8.6828 9.2280 9.2280 11.5482 11.5482 11.6171 11.6171 11.6928 11.6928 12.6495 12.6495 12.9568 12.9568 k = 0.0000 0.0000 0.1313 ( 3228 PWs) bands (ev): 3.6224 3.6224 4.3022 4.3022 4.5503 4.5503 5.0636 5.0636 5.2279 5.2279 5.6230 5.6230 5.7122 5.7122 5.9569 5.9569 6.0083 6.0083 6.1205 6.1205 6.4973 6.4973 6.7229 6.7229 8.6962 8.6962 9.2316 9.2316 11.5716 11.5716 11.6333 11.6333 11.7002 11.7002 12.7182 12.7182 12.9579 12.9579 k = 0.0000 0.0000 0.1422 ( 3220 PWs) bands (ev): 3.6533 3.6533 4.3043 4.3043 4.5571 4.5571 5.0637 5.0637 5.2295 5.2295 5.6227 5.6227 5.6994 5.6994 5.9590 5.9590 6.0036 6.0036 6.1217 6.1217 6.4282 6.4282 6.7224 6.7224 8.7076 8.7076 9.2352 9.2352 11.5964 11.5964 11.6466 11.6466 11.7119 11.7119 12.7871 12.7871 12.9590 12.9590 k = 0.0000 0.0000 0.1532 ( 3220 PWs) bands (ev): 3.6850 3.6850 4.3064 4.3064 4.5638 4.5638 5.0637 5.0637 5.2313 5.2313 5.6223 5.6223 5.6843 5.6843 5.9610 5.9610 5.9991 5.9991 6.1230 6.1230 6.3627 6.3627 6.7219 6.7219 8.7169 8.7169 9.2388 9.2388 11.6222 11.6222 11.6559 11.6559 11.7285 11.7285 12.8551 12.8551 12.9601 12.9601 k = 0.0000 0.0000 0.1641 ( 3220 PWs) bands (ev): 3.7170 3.7170 4.3085 4.3085 4.5701 4.5701 5.0637 5.0637 5.2334 5.2334 5.6219 5.6219 5.6671 5.6671 5.9629 5.9629 5.9947 5.9947 6.1241 6.1241 6.3020 6.3020 6.7214 6.7214 8.7245 8.7245 9.2422 9.2422 11.6489 11.6489 11.6619 11.6619 11.7490 11.7490 12.9203 12.9203 12.9612 12.9612 k = 0.0000 0.0000 0.1751 ( 3216 PWs) bands (ev): 3.7487 3.7487 4.3104 4.3104 4.5758 4.5758 5.0638 5.0638 5.2361 5.2361 5.6216 5.6216 5.6477 5.6477 5.9648 5.9648 5.9906 5.9906 6.1254 6.1254 6.2471 6.2471 6.7209 6.7209 8.7305 8.7305 9.2454 9.2454 11.6658 11.6658 11.6760 11.6760 11.7719 11.7719 12.9622 12.9622 12.9807 12.9807 k = 0.0000 0.0000 0.1860 ( 3216 PWs) bands (ev): 3.7795 3.7795 4.3122 4.3122 4.5811 4.5811 5.0638 5.0638 5.2392 5.2392 5.6212 5.6212 5.6262 5.6262 5.9665 5.9665 5.9867 5.9867 6.1264 6.1264 6.1988 6.1988 6.7205 6.7205 8.7350 8.7350 9.2484 9.2484 11.6684 11.6684 11.7030 11.7030 11.7958 11.7958 12.9631 12.9631 13.0234 13.0234 k = 0.0000 0.0000 0.1970 ( 3224 PWs) bands (ev): 3.8086 3.8086 4.3139 4.3139 4.5857 4.5857 5.0638 5.0638 5.2427 5.2427 5.6032 5.6032 5.6208 5.6208 5.9681 5.9681 5.9832 5.9832 6.1273 6.1273 6.1574 6.1574 6.7201 6.7201 8.7384 8.7384 9.2511 9.2511 11.6702 11.6702 11.7292 11.7292 11.8195 11.8195 12.9640 12.9640 12.9909 12.9909 k = 0.0000 0.0000 0.2079 ( 3216 PWs) bands (ev): 3.8353 3.8353 4.3153 4.3153 4.5898 4.5898 5.0639 5.0639 5.2468 5.2468 5.5797 5.5797 5.6205 5.6205 5.9695 5.9695 5.9802 5.9802 6.1233 6.1233 6.1281 6.1281 6.7197 6.7197 8.7409 8.7409 9.2534 9.2534 11.6715 11.6715 11.7539 11.7539 11.8420 11.8420 12.9429 12.9429 12.9648 12.9648 k = 0.0000 0.0000 0.2188 ( 3232 PWs) bands (ev): 3.8587 3.8587 4.3164 4.3164 4.5929 4.5929 5.0638 5.0638 5.2511 5.2511 5.5568 5.5568 5.6202 5.6202 5.9705 5.9705 5.9776 5.9776 6.0962 6.0962 6.1285 6.1285 6.7193 6.7193 8.7426 8.7426 9.2554 9.2554 11.6725 11.6725 11.7761 11.7761 11.8624 11.8624 12.9001 12.9001 12.9655 12.9655 k = 0.0000 0.0000 0.2298 ( 3228 PWs) bands (ev): 3.8779 3.8779 4.3176 4.3176 4.5953 4.5953 5.0638 5.0638 5.2555 5.2555 5.5363 5.5363 5.6200 5.6200 5.9715 5.9715 5.9756 5.9756 6.0757 6.0757 6.1291 6.1291 6.7191 6.7191 8.7438 8.7438 9.2570 9.2570 11.6732 11.6732 11.7950 11.7950 11.8796 11.8796 12.8648 12.8648 12.9661 12.9661 k = 0.0000 0.0000 0.2407 ( 3228 PWs) bands (ev): 3.8923 3.8923 4.3183 4.3183 4.5970 4.5970 5.0638 5.0638 5.2594 5.2594 5.5199 5.5199 5.6199 5.6199 5.9723 5.9723 5.9741 5.9741 6.0614 6.0614 6.1294 6.1294 6.7189 6.7189 8.7445 8.7445 9.2581 9.2581 11.6736 11.6736 11.8094 11.8094 11.8927 11.8927 12.8386 12.8386 12.9666 12.9666 k = 0.0000 0.0000 0.2517 ( 3228 PWs) bands (ev): 3.9013 3.9013 4.3187 4.3187 4.5980 4.5980 5.0638 5.0638 5.2621 5.2621 5.5092 5.5092 5.6198 5.6198 5.9728 5.9728 5.9733 5.9733 6.0530 6.0530 6.1297 6.1297 6.7188 6.7188 8.7449 8.7449 9.2588 9.2588 11.6739 11.6739 11.8185 11.8185 11.9010 11.9010 12.8223 12.8223 12.9671 12.9671 k = 0.0000 0.0000 0.2626 ( 3228 PWs) bands (ev): 3.9043 3.9043 4.3188 4.3188 4.5983 4.5983 5.0638 5.0638 5.2630 5.2630 5.5055 5.5055 5.6198 5.6198 5.9730 5.9730 5.9731 5.9731 6.0501 6.0501 6.1298 6.1298 6.7188 6.7188 8.7450 8.7450 9.2590 9.2590 11.6740 11.6740 11.8216 11.8216 11.9038 11.9038 12.8168 12.8168 12.9674 12.9674 k = 0.0000 0.0000 0.2626 ( 3228 PWs) bands (ev): 3.9043 3.9043 4.3188 4.3188 4.5983 4.5983 5.0638 5.0638 5.2630 5.2630 5.5055 5.5055 5.6198 5.6198 5.9730 5.9730 5.9731 5.9731 6.0501 6.0501 6.1298 6.1298 6.7188 6.7188 8.7450 8.7450 9.2590 9.2590 11.6740 11.6740 11.8216 11.8216 11.9038 11.9038 12.8168 12.8168 12.9674 12.9674 k = 0.0000 0.0109 0.2626 ( 3228 PWs) bands (ev): 3.9056 3.9056 4.3195 4.3195 4.5985 4.5985 5.0631 5.0631 5.2612 5.2612 5.5061 5.5061 5.6223 5.6223 5.9535 5.9535 5.9908 5.9908 6.0498 6.0498 6.1334 6.1334 6.7187 6.7187 8.7459 8.7459 9.2596 9.2596 11.6732 11.6732 11.8213 11.8213 11.9034 11.9034 12.7931 12.7931 12.9307 12.9307 k = 0.0000 0.0217 0.2626 ( 3234 PWs) bands (ev): 3.9095 3.9095 4.3212 4.3212 4.5990 4.5990 5.0608 5.0608 5.2562 5.2562 5.5076 5.5076 5.6302 5.6302 5.9326 5.9326 6.0065 6.0065 6.0498 6.0498 6.1433 6.1433 6.7185 6.7185 8.7485 8.7485 9.2613 9.2613 11.6708 11.6708 11.8205 11.8205 11.9023 11.9023 12.7391 12.7391 12.8806 12.8806 k = 0.0000 0.0326 0.2626 ( 3236 PWs) bands (ev): 3.9161 3.9161 4.3242 4.3242 4.6000 4.6000 5.0571 5.0571 5.2486 5.2486 5.5086 5.5086 5.6437 5.6437 5.9107 5.9107 6.0193 6.0193 6.0521 6.0521 6.1579 6.1579 6.7182 6.7182 8.7528 8.7528 9.2642 9.2642 11.6661 11.6661 11.8192 11.8192 11.9004 11.9004 12.6743 12.6743 12.8202 12.8202 k = 0.0000 0.0435 0.2626 ( 3236 PWs) bands (ev): 3.9252 3.9252 4.3283 4.3283 4.6014 4.6014 5.0520 5.0520 5.2394 5.2394 5.5080 5.5080 5.6630 5.6630 5.8884 5.8884 6.0286 6.0286 6.0589 6.0589 6.1756 6.1756 6.7177 6.7177 8.7588 8.7588 9.2683 9.2683 11.6585 11.6585 11.8174 11.8174 11.8978 11.8978 12.6061 12.6061 12.7530 12.7530 k = 0.0000 0.0543 0.2626 ( 3228 PWs) bands (ev): 3.9369 3.9369 4.3335 4.3335 4.6033 4.6033 5.0458 5.0458 5.2295 5.2295 5.5055 5.5055 5.6872 5.6872 5.8664 5.8664 6.0351 6.0351 6.0701 6.0701 6.1953 6.1953 6.7171 6.7171 8.7664 8.7664 9.2738 9.2738 11.6468 11.6468 11.8152 11.8152 11.8945 11.8945 12.5375 12.5375 12.6832 12.6832 k = 0.0000 0.0652 0.2626 ( 3220 PWs) bands (ev): 3.9510 3.9510 4.3396 4.3396 4.6059 4.6059 5.0384 5.0384 5.2193 5.2193 5.5010 5.5010 5.7143 5.7143 5.8459 5.8459 6.0415 6.0415 6.0839 6.0839 6.2159 6.2159 6.7164 6.7164 8.7757 8.7757 9.2805 9.2805 11.6294 11.6294 11.8124 11.8124 11.8904 11.8904 12.4699 12.4699 12.6145 12.6145 k = 0.0000 0.0761 0.2626 ( 3216 PWs) bands (ev): 3.9674 3.9674 4.3464 4.3464 4.6091 4.6091 5.0299 5.0299 5.2093 5.2093 5.4949 5.4949 5.7399 5.7399 5.8304 5.8304 6.0496 6.0496 6.0989 6.0989 6.2369 6.2369 6.7154 6.7154 8.7864 8.7864 9.2888 9.2888 11.6045 11.6045 11.8093 11.8093 11.8857 11.8857 12.4044 12.4044 12.5500 12.5500 k = 0.0000 0.0870 0.2626 ( 3220 PWs) bands (ev): 3.9861 3.9861 4.3537 4.3537 4.6132 4.6132 5.0206 5.0206 5.1998 5.1998 5.4876 5.4876 5.7531 5.7531 5.8299 5.8299 6.0604 6.0604 6.1146 6.1146 6.2577 6.2577 6.7143 6.7143 8.7986 8.7986 9.2985 9.2985 11.5701 11.5701 11.8057 11.8057 11.8805 11.8805 12.3416 12.3416 12.4923 12.4923 k = 0.0000 0.0978 0.2626 ( 3216 PWs) bands (ev): 4.0069 4.0069 4.3614 4.3614 4.6184 4.6184 5.0106 5.0106 5.1910 5.1910 5.4793 5.4793 5.7464 5.7464 5.8508 5.8508 6.0754 6.0754 6.1308 6.1308 6.2782 6.2782 6.7129 6.7129 8.8121 8.8121 9.3100 9.3100 11.5249 11.5249 11.8018 11.8018 11.8748 11.8748 12.2815 12.2815 12.4440 12.4440 k = 0.0000 0.1087 0.2626 ( 3214 PWs) bands (ev): 4.0297 4.0297 4.3691 4.3691 4.6248 4.6248 5.0001 5.0001 5.1829 5.1829 5.4705 5.4705 5.7302 5.7302 5.8808 5.8808 6.0960 6.0960 6.1474 6.1474 6.2981 6.2981 6.7114 6.7114 8.8269 8.8269 9.3232 9.3232 11.4683 11.4683 11.7974 11.7974 11.8690 11.8690 12.2238 12.2238 12.4068 12.4068 k = 0.0000 0.1196 0.2626 ( 3210 PWs) bands (ev): 4.0543 4.0543 4.3766 4.3766 4.6326 4.6326 4.9891 4.9891 5.1756 5.1756 5.4613 5.4613 5.7117 5.7117 5.9114 5.9114 6.1238 6.1238 6.1642 6.1642 6.3172 6.3172 6.7096 6.7096 8.8429 8.8429 9.3382 9.3382 11.4006 11.4006 11.7927 11.7927 11.8630 11.8630 12.1679 12.1679 12.3812 12.3812 k = 0.0000 0.1304 0.2626 ( 3220 PWs) bands (ev): 4.0804 4.0804 4.3837 4.3837 4.6420 4.6420 4.9777 4.9777 5.1690 5.1690 5.4519 5.4519 5.6931 5.6931 5.9387 5.9387 6.1597 6.1597 6.1813 6.1813 6.3353 6.3353 6.7074 6.7074 8.8600 8.8600 9.3552 9.3552 11.3232 11.3232 11.7875 11.7875 11.8570 11.8570 12.1134 12.1134 12.3667 12.3667 k = 0.0000 0.1413 0.2626 ( 3220 PWs) bands (ev): 4.1079 4.1079 4.3901 4.3901 4.6533 4.6533 4.9662 4.9662 5.1631 5.1631 5.4428 5.4428 5.6754 5.6754 5.9619 5.9619 6.1964 6.1964 6.2062 6.2062 6.3523 6.3523 6.7052 6.7052 8.8782 8.8782 9.3741 9.3741 11.2378 11.2378 11.7818 11.7818 11.8510 11.8510 12.0605 12.0605 12.3615 12.3615 k = 0.0000 0.1522 0.2626 ( 3218 PWs) bands (ev): 4.1363 4.1363 4.3956 4.3956 4.6666 4.6666 4.9545 4.9545 5.1579 5.1579 5.4341 5.4341 5.6593 5.6593 5.9811 5.9811 6.2144 6.2144 6.2571 6.2571 6.3684 6.3684 6.7028 6.7028 8.8974 8.8974 9.3951 9.3951 11.1461 11.1461 11.7756 11.7756 11.8450 11.8450 12.0096 12.0096 12.3636 12.3636 k = 0.0000 0.1630 0.2626 ( 3214 PWs) bands (ev): 4.1655 4.1655 4.4002 4.4002 4.6820 4.6820 4.9428 4.9428 5.1533 5.1533 5.4259 5.4259 5.6450 5.6450 5.9974 5.9974 6.2314 6.2314 6.3142 6.3142 6.3844 6.3844 6.7001 6.7001 8.9176 8.9176 9.4181 9.4181 11.0498 11.0498 11.7687 11.7687 11.8385 11.8385 11.9614 11.9614 12.3710 12.3710 k = 0.0000 0.1739 0.2626 ( 3206 PWs) bands (ev): 4.1951 4.1951 4.4037 4.4037 4.6995 4.6995 4.9312 4.9312 5.1491 5.1491 5.4187 5.4187 5.6329 5.6329 6.0117 6.0117 6.2481 6.2481 6.3683 6.3683 6.4073 6.4073 6.6972 6.6972 8.9387 8.9387 9.4430 9.4430 10.9500 10.9500 11.7610 11.7610 11.8302 11.8302 11.9177 11.9177 12.3817 12.3817 k = 0.0000 0.1848 0.2626 ( 3210 PWs) bands (ev): 4.2247 4.2247 4.4061 4.4061 4.7190 4.7190 4.9196 4.9196 5.1452 5.1452 5.4125 5.4125 5.6233 5.6233 6.0244 6.0244 6.2646 6.2646 6.3948 6.3948 6.4606 6.4606 6.6941 6.6941 8.9609 8.9609 9.4697 9.4697 10.8480 10.8480 11.7525 11.7525 11.8161 11.8161 11.8828 11.8828 12.3936 12.3936 k = 0.0000 0.1957 0.2626 ( 3202 PWs) bands (ev): 4.2538 4.2538 4.4075 4.4075 4.7404 4.7404 4.9082 4.9082 5.1415 5.1415 5.4076 5.4076 5.6167 5.6167 6.0364 6.0364 6.2808 6.2808 6.4066 6.4066 6.5308 6.5308 6.6909 6.6909 8.9841 8.9841 9.4981 9.4981 10.7444 10.7444 11.7431 11.7431 11.7904 11.7904 11.8624 11.8624 12.4046 12.4046 k = 0.0000 0.2065 0.2626 ( 3206 PWs) bands (ev): 4.2820 4.2820 4.4080 4.4080 4.7633 4.7633 4.8970 4.8970 5.1380 5.1380 5.4041 5.4041 5.6132 5.6132 6.0477 6.0477 6.2968 6.2968 6.4142 6.4142 6.6062 6.6062 6.6878 6.6878 9.0084 9.0084 9.5281 9.5281 10.6400 10.6400 11.7325 11.7325 11.7565 11.7565 11.8538 11.8538 12.4123 12.4123 k = 0.0000 0.2174 0.2626 ( 3204 PWs) bands (ev): 4.3090 4.3090 4.4078 4.4078 4.7873 4.7873 4.8860 4.8860 5.1347 5.1347 5.4024 5.4024 5.6133 5.6133 6.0586 6.0586 6.3125 6.3125 6.4196 6.4196 6.6767 6.6767 6.6930 6.6930 9.0338 9.0338 9.5593 9.5593 10.5351 10.5351 11.7152 11.7152 11.7263 11.7263 11.8508 11.8508 12.4138 12.4138 k = 0.0000 0.2283 0.2626 ( 3200 PWs) bands (ev): 4.3341 4.3341 4.4070 4.4070 4.8121 4.8121 4.8756 4.8756 5.1316 5.1316 5.4027 5.4027 5.6170 5.6170 6.0694 6.0694 6.3279 6.3279 6.4229 6.4229 6.6789 6.6789 6.7694 6.7694 9.0605 9.0605 9.5915 9.5915 10.4304 10.4304 11.6812 11.6812 11.7123 11.7123 11.8505 11.8505 12.4064 12.4064 k = 0.0000 0.2391 0.2626 ( 3200 PWs) bands (ev): 4.3571 4.3571 4.4058 4.4058 4.8363 4.8363 4.8662 4.8662 5.1290 5.1290 5.4051 5.4051 5.6245 5.6245 6.0803 6.0803 6.3429 6.3429 6.4243 6.4243 6.6753 6.6753 6.8540 6.8540 9.0885 9.0885 9.6243 9.6243 10.3260 10.3260 11.6466 11.6466 11.6998 11.6998 11.8519 11.8519 12.3873 12.3873 k = 0.0000 0.2500 0.2626 ( 3200 PWs) bands (ev): 4.3771 4.3771 4.4049 4.4049 4.8499 4.8499 4.8673 4.8673 5.1274 5.1274 5.4096 5.4096 5.6356 5.6356 6.0914 6.0914 6.3573 6.3573 6.4242 6.4242 6.6713 6.6713 6.9410 6.9410 9.1180 9.1180 9.6574 9.6574 10.2222 10.2222 11.6135 11.6135 11.6870 11.6870 11.8546 11.8546 12.3552 12.3552 k = 0.0000 0.2609 0.2626 ( 3194 PWs) bands (ev): 4.3914 4.3914 4.4067 4.4067 4.8432 4.8432 4.8877 4.8877 5.1276 5.1276 5.4164 5.4164 5.6504 5.6504 6.1031 6.1031 6.3710 6.3710 6.4230 6.4230 6.6672 6.6672 7.0299 7.0299 9.1489 9.1489 9.6904 9.6904 10.1193 10.1193 11.5824 11.5824 11.6737 11.6737 11.8584 11.8584 12.3104 12.3104 k = 0.0000 0.2717 0.2626 ( 3198 PWs) bands (ev): 4.3948 4.3948 4.4165 4.4165 4.8344 4.8344 4.9078 4.9078 5.1306 5.1306 5.4253 5.4253 5.6684 5.6684 6.1154 6.1154 6.3828 6.3828 6.4219 6.4219 6.6628 6.6628 7.1203 7.1203 9.1815 9.1815 9.7229 9.7229 10.0177 10.0177 11.5533 11.5533 11.6600 11.6600 11.8629 11.8629 12.2542 12.2542 k = 0.0000 0.2826 0.2626 ( 3202 PWs) bands (ev): 4.3935 4.3935 4.4283 4.4283 4.8258 4.8258 4.9240 4.9240 5.1376 5.1376 5.4363 5.4363 5.6891 5.6891 6.1286 6.1286 6.3901 6.3901 6.4242 6.4242 6.6582 6.6582 7.2120 7.2120 9.2157 9.2157 9.7541 9.7541 9.9176 9.9176 11.5263 11.5263 11.6459 11.6459 11.8682 11.8682 12.1886 12.1886 k = 0.0000 0.2935 0.2626 ( 3206 PWs) bands (ev): 4.3913 4.3913 4.4383 4.4383 4.8176 4.8176 4.9350 4.9350 5.1497 5.1497 5.4491 5.4491 5.7119 5.7119 6.1430 6.1430 6.3904 6.3904 6.4328 6.4328 6.6536 6.6536 7.3043 7.3043 9.2516 9.2516 9.7813 9.7813 9.8218 9.8218 11.5014 11.5014 11.6315 11.6315 11.8740 11.8740 12.1152 12.1152 k = 0.0000 0.3043 0.2626 ( 3206 PWs) bands (ev): 4.3889 4.3889 4.4460 4.4460 4.8100 4.8100 4.9406 4.9406 5.1670 5.1670 5.4636 5.4636 5.7357 5.7357 6.1587 6.1587 6.3858 6.3858 6.4464 6.4464 6.6488 6.6488 7.3970 7.3970 9.2894 9.2894 9.7194 9.7194 9.8153 9.8153 11.4786 11.4786 11.6167 11.6167 11.8801 11.8801 12.0356 12.0356 k = 0.0000 0.3152 0.2626 ( 3206 PWs) bands (ev): 4.3866 4.3866 4.4515 4.4515 4.8029 4.8029 4.9412 4.9412 5.1889 5.1889 5.4795 5.4795 5.7595 5.7595 6.1752 6.1752 6.3797 6.3797 6.4630 6.4630 6.6441 6.6441 7.4892 7.4892 9.3290 9.3290 9.6256 9.6256 9.8405 9.8405 11.4579 11.4579 11.6018 11.6018 11.8859 11.8859 11.9516 11.9516 k = 0.0000 0.3261 0.2626 ( 3210 PWs) bands (ev): 4.3843 4.3843 4.4550 4.4550 4.7964 4.7964 4.9379 4.9379 5.2144 5.2144 5.4966 5.4966 5.7822 5.7822 6.1917 6.1917 6.3740 6.3740 6.4824 6.4824 6.6396 6.6396 7.5802 7.5802 9.3706 9.3706 9.5341 9.5341 9.8634 9.8634 11.4392 11.4392 11.5866 11.5866 11.8583 11.8583 11.8973 11.8973 k = 0.0000 0.3370 0.2626 ( 3208 PWs) bands (ev): 4.3823 4.3823 4.4567 4.4567 4.7905 4.7905 4.9318 4.9318 5.2426 5.2426 5.5147 5.5147 5.8029 5.8029 6.2061 6.2061 6.3708 6.3708 6.5048 6.5048 6.6358 6.6358 7.6691 7.6691 9.4140 9.4140 9.4461 9.4461 9.8831 9.8831 11.4225 11.4225 11.5712 11.5712 11.7681 11.7681 11.9026 11.9026 k = 0.0000 0.3478 0.2626 ( 3204 PWs) bands (ev): 4.3805 4.3805 4.4568 4.4568 4.7853 4.7853 4.9237 4.9237 5.2723 5.2723 5.5336 5.5336 5.8208 5.8208 6.2157 6.2157 6.3720 6.3720 6.5303 6.5303 6.6338 6.6338 7.7545 7.7545 9.3628 9.3628 9.4595 9.4595 9.8989 9.8989 11.4076 11.4076 11.5552 11.5552 11.6742 11.6742 11.9099 11.9099 k = 0.0000 0.3587 0.2626 ( 3200 PWs) bands (ev): 4.3791 4.3791 4.4555 4.4555 4.7808 4.7808 4.9144 4.9144 5.3031 5.3031 5.5529 5.5529 5.8357 5.8357 6.2182 6.2182 6.3787 6.3787 6.5570 6.5570 6.6372 6.6372 7.8346 7.8346 9.2856 9.2856 9.5069 9.5069 9.9104 9.9104 11.3944 11.3944 11.5360 11.5360 11.5818 11.5818 11.9178 11.9178 k = 0.0000 0.3696 0.2626 ( 3194 PWs) bands (ev): 4.3779 4.3779 4.4532 4.4532 4.7770 4.7770 4.9042 4.9042 5.3343 5.3343 5.5725 5.5725 5.8474 5.8474 6.2133 6.2133 6.3898 6.3898 6.5769 6.5769 6.6549 6.6549 7.9069 7.9069 9.2166 9.2166 9.5563 9.5563 9.9170 9.9170 11.3818 11.3818 11.4740 11.4740 11.5321 11.5321 11.9263 11.9263 k = 0.0000 0.3804 0.2626 ( 3192 PWs) bands (ev): 4.3772 4.3772 4.4500 4.4500 4.7739 4.7739 4.8936 4.8936 5.3656 5.3656 5.5921 5.5921 5.8564 5.8564 6.2024 6.2024 6.4031 6.4031 6.5836 6.5836 6.6940 6.6940 7.9684 7.9684 9.1587 9.1587 9.6075 9.6075 9.9185 9.9185 11.3565 11.3565 11.3938 11.3938 11.5146 11.5146 11.9355 11.9355 k = 0.0000 0.3913 0.2626 ( 3188 PWs) bands (ev): 4.3768 4.3768 4.4460 4.4460 4.7715 4.7715 4.8828 4.8828 5.3967 5.3967 5.6112 5.6112 5.8630 5.8630 6.1874 6.1874 6.4168 6.4168 6.5824 6.5824 6.7486 6.7486 8.0153 8.0153 9.1151 9.1151 9.6604 9.6604 9.9147 9.9147 11.2711 11.2711 11.3732 11.3732 11.4994 11.4994 11.9457 11.9457 k = 0.0000 0.4022 0.2626 ( 3192 PWs) bands (ev): 4.3768 4.3768 4.4415 4.4415 4.7700 4.7700 4.8719 4.8719 5.4272 5.4272 5.6295 5.6295 5.8679 5.8679 6.1694 6.1694 6.4298 6.4298 6.5781 6.5781 6.8130 6.8130 8.0438 8.0438 9.0895 9.0895 9.7142 9.7142 9.9060 9.9060 11.1737 11.1737 11.3661 11.3661 11.4849 11.4849 11.9571 11.9571 k = 0.0000 0.4130 0.2626 ( 3200 PWs) bands (ev): 4.3773 4.3773 4.4366 4.4366 4.7691 4.7691 4.8611 4.8611 5.4572 5.4572 5.6462 5.6462 5.8720 5.8720 6.1494 6.1494 6.4419 6.4419 6.5725 6.5725 6.8846 6.8846 8.0509 8.0509 9.0843 9.0843 9.7662 9.7662 9.8950 9.8950 11.0757 11.0757 11.3618 11.3618 11.4710 11.4710 11.9701 11.9701 k = 0.0000 0.4239 0.2626 ( 3196 PWs) bands (ev): 4.3782 4.3782 4.4315 4.4315 4.7692 4.7692 4.8507 4.8507 5.4863 5.4863 5.6608 5.6608 5.8762 5.8762 6.1281 6.1281 6.4531 6.4531 6.5662 6.5662 6.9616 6.9616 8.0362 8.0362 9.0996 9.0996 9.8036 9.8036 9.8942 9.8942 10.9786 10.9786 11.3594 11.3594 11.4576 11.4576 11.9849 11.9849 k = 0.0000 0.4348 0.2626 ( 3194 PWs) bands (ev): 4.3796 4.3796 4.4263 4.4263 4.7701 4.7701 4.8407 4.8407 5.5143 5.5143 5.6723 5.6723 5.8815 5.8815 6.1058 6.1058 6.4634 6.4634 6.5595 6.5595 7.0428 7.0428 8.0017 8.0017 9.1331 9.1331 9.8010 9.8010 9.9291 9.9291 10.8828 10.8828 11.3586 11.3586 11.4447 11.4447 12.0018 12.0018 k = 0.0000 0.4457 0.2626 ( 3194 PWs) bands (ev): 4.3814 4.3814 4.4211 4.4211 4.7718 4.7718 4.8311 4.8311 5.5412 5.5412 5.6797 5.6797 5.8890 5.8890 6.0828 6.0828 6.4731 6.4731 6.5526 6.5526 7.1271 7.1271 7.9509 7.9509 9.1807 9.1807 9.7714 9.7714 9.9870 9.9870 10.7887 10.7887 11.3594 11.3594 11.4325 11.4325 12.0211 12.0211 k = 0.0000 0.4565 0.2626 ( 3194 PWs) bands (ev): 4.3837 4.3837 4.4158 4.4158 4.7743 4.7743 4.8221 4.8221 5.5665 5.5665 5.6825 5.6825 5.8992 5.8992 6.0594 6.0594 6.4823 6.4823 6.5454 6.5454 7.2136 7.2136 7.8876 7.8876 9.2382 9.2382 9.7301 9.7301 10.0527 10.0527 10.6965 10.6965 11.3616 11.3616 11.4209 11.4209 12.0429 12.0429 k = 0.0000 0.4674 0.2626 ( 3188 PWs) bands (ev): 4.3864 4.3864 4.4108 4.4108 4.7776 4.7776 4.8137 4.8137 5.5903 5.5903 5.6805 5.6805 5.9126 5.9126 6.0360 6.0360 6.4910 6.4910 6.5381 6.5381 7.3017 7.3017 7.8153 7.8153 9.3018 9.3018 9.6812 9.6812 10.1228 10.1228 10.6067 10.6067 11.3651 11.3651 11.4101 11.4101 12.0673 12.0673 k = 0.0000 0.4783 0.2626 ( 3188 PWs) bands (ev): 4.3896 4.3896 4.4060 4.4060 4.7817 4.7817 4.8058 4.8058 5.6122 5.6122 5.6739 5.6739 5.9289 5.9289 6.0127 6.0127 6.4994 6.4994 6.5307 6.5307 7.3905 7.3905 7.7366 7.7366 9.3686 9.3686 9.6262 9.6262 10.1963 10.1963 10.5192 10.5192 11.3699 11.3699 11.4001 11.4001 12.0945 12.0945 k = 0.0000 0.4891 0.2626 ( 3184 PWs) bands (ev): 4.3932 4.3932 4.4014 4.4014 4.7867 4.7867 4.7988 4.7988 5.6319 5.6319 5.6633 5.6633 5.9476 5.9476 5.9900 5.9900 6.5075 6.5075 6.5231 6.5231 7.4793 7.4793 7.6534 7.6534 9.4361 9.4361 9.5663 9.5663 10.2728 10.2728 10.4344 10.4344 11.3758 11.3758 11.3911 11.3911 12.1243 12.1243 k = 0.0000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.3971 4.3971 4.3971 4.3971 4.7924 4.7924 4.7924 4.7924 5.6491 5.6491 5.6491 5.6491 5.9681 5.9681 5.9681 5.9681 6.5154 6.5154 6.5154 6.5154 7.5673 7.5673 7.5673 7.5673 9.5025 9.5025 9.5025 9.5025 10.3522 10.3522 10.3522 10.3522 11.3829 11.3829 11.3829 11.3829 12.1566 12.1566 k = 0.0000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.3971 4.3971 4.3971 4.3971 4.7924 4.7924 4.7924 4.7924 5.6491 5.6491 5.6491 5.6491 5.9681 5.9681 5.9681 5.9681 6.5154 6.5154 6.5154 6.5154 7.5673 7.5673 7.5673 7.5673 9.5025 9.5025 9.5025 9.5025 10.3522 10.3522 10.3522 10.3522 11.3829 11.3829 11.3829 11.3829 12.1566 12.1566 k = 0.0109 0.5000 0.2626 ( 3180 PWs) bands (ev): 4.3969 4.3969 4.3992 4.3992 4.7916 4.7916 4.7925 4.7925 5.6466 5.6466 5.6523 5.6523 5.9641 5.9641 5.9719 5.9719 6.5094 6.5094 6.5194 6.5194 7.5684 7.5684 7.5705 7.5705 9.5008 9.5008 9.5012 9.5012 10.3497 10.3497 10.3498 10.3498 11.3844 11.3844 11.3897 11.3897 12.1547 12.1553 k = 0.0217 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.3985 4.3985 4.4031 4.4031 4.7900 4.7900 4.7919 4.7919 5.6447 5.6447 5.6562 5.6562 5.9597 5.9597 5.9752 5.9752 6.5012 6.5012 6.5214 6.5214 7.5739 7.5739 7.5781 7.5781 9.4959 9.4959 9.4968 9.4968 10.3424 10.3424 10.3427 10.3427 11.3939 11.3939 11.4045 11.4045 12.1521 12.1525 k = 0.0326 0.5000 0.2626 ( 3196 PWs) bands (ev): 4.4019 4.4019 4.4088 4.4088 4.7877 4.7877 4.7906 4.7906 5.6430 5.6430 5.6608 5.6608 5.9552 5.9552 5.9781 5.9781 6.4910 6.4910 6.5214 6.5214 7.5837 7.5837 7.5898 7.5898 9.4880 9.4880 9.4893 9.4893 10.3311 10.3311 10.3315 10.3315 11.4106 11.4106 11.4265 11.4265 12.1492 12.1493 k = 0.0435 0.5000 0.2626 ( 3196 PWs) bands (ev): 4.4072 4.4072 4.4165 4.4165 4.7848 4.7848 4.7888 4.7888 5.6415 5.6415 5.6663 5.6663 5.9509 5.9509 5.9805 5.9805 6.4791 6.4791 6.5197 6.5197 7.5976 7.5976 7.6056 7.6056 9.4768 9.4768 9.4787 9.4787 10.3164 10.3164 10.3172 10.3172 11.4334 11.4334 11.4547 11.4547 12.1465 12.1466 k = 0.0543 0.5000 0.2626 ( 3188 PWs) bands (ev): 4.4144 4.4144 4.4260 4.4260 4.7814 4.7814 4.7864 4.7864 5.6400 5.6400 5.6726 5.6726 5.9468 5.9468 5.9824 5.9824 6.4655 6.4655 6.5166 6.5166 7.6154 7.6154 7.6253 7.6253 9.4624 9.4624 9.4649 9.4649 10.2996 10.2996 10.3007 10.3007 11.4609 11.4609 11.4877 11.4877 12.1447 12.1447 k = 0.0652 0.5000 0.2626 ( 3192 PWs) bands (ev): 4.4231 4.4231 4.4372 4.4372 4.7772 4.7772 4.7835 4.7835 5.6381 5.6381 5.6795 5.6795 5.9431 5.9431 5.9839 5.9839 6.4505 6.4505 6.5122 6.5122 7.6370 7.6370 7.6485 7.6485 9.4446 9.4446 9.4478 9.4478 10.2814 10.2814 10.2830 10.2830 11.4917 11.4917 11.5240 11.5240 12.1447 12.1447 k = 0.0761 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.4335 4.4335 4.4501 4.4501 4.7726 4.7726 4.7800 4.7800 5.6354 5.6354 5.6871 5.6871 5.9400 5.9400 5.9848 5.9848 6.4342 6.4342 6.5067 6.5067 7.6619 7.6619 7.6751 7.6751 9.4235 9.4235 9.4276 9.4276 10.2629 10.2629 10.2650 10.2650 11.5243 11.5243 11.5621 11.5621 12.1475 12.1475 k = 0.0870 0.5000 0.2626 ( 3196 PWs) bands (ev): 4.4456 4.4456 4.4647 4.4647 4.7675 4.7675 4.7763 4.7763 5.6319 5.6319 5.6951 5.6951 5.9379 5.9379 5.9853 5.9853 6.4172 6.4172 6.5004 6.5004 7.6901 7.6901 7.7047 7.7047 9.3991 9.3991 9.4042 9.4042 10.2445 10.2445 10.2473 10.2473 11.5573 11.5573 11.6004 11.6004 12.1542 12.1542 k = 0.0978 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.4591 4.4591 4.4809 4.4809 4.7619 4.7619 4.7721 4.7721 5.6270 5.6270 5.7034 5.7034 5.9370 5.9370 5.9856 5.9856 6.3994 6.3994 6.4935 6.4935 7.7213 7.7213 7.7371 7.7371 9.3717 9.3717 9.3778 9.3778 10.2269 10.2269 10.2303 10.2303 11.5897 11.5897 11.6375 11.6375 12.1662 12.1662 k = 0.1087 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.4741 4.4741 4.4985 4.4985 4.7560 4.7560 4.7677 4.7677 5.6207 5.6207 5.7116 5.7116 5.9373 5.9373 5.9856 5.9856 6.3815 6.3815 6.4863 6.4863 7.7551 7.7551 7.7721 7.7721 9.3415 9.3415 9.3487 9.3487 10.2102 10.2102 10.2143 10.2143 11.6206 11.6206 11.6723 11.6723 12.1843 12.1843 k = 0.1196 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.4903 4.4903 4.5175 4.5175 4.7499 4.7499 4.7632 4.7632 5.6128 5.6128 5.7196 5.7196 5.9391 5.9391 5.9857 5.9857 6.3633 6.3633 6.4788 6.4788 7.7913 7.7913 7.8094 7.8094 9.3088 9.3088 9.3172 9.3172 10.1945 10.1945 10.1994 10.1994 11.6497 11.6497 11.7041 11.7041 12.2092 12.2092 k = 0.1304 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.5077 4.5077 4.5377 4.5377 4.7435 4.7435 4.7586 4.7586 5.6031 5.6031 5.7270 5.7270 5.9424 5.9424 5.9861 5.9861 6.3453 6.3453 6.4712 6.4712 7.8297 7.8297 7.8489 7.8489 9.2740 9.2740 9.2836 9.2836 10.1798 10.1798 10.1855 10.1855 11.6772 11.6772 11.7330 11.7330 12.2410 12.2410 k = 0.1413 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.5261 4.5261 4.5589 4.5589 4.7371 4.7371 4.7541 4.7541 5.5918 5.5918 5.7333 5.7333 5.9471 5.9471 5.9871 5.9871 6.3276 6.3276 6.4635 6.4635 7.8701 7.8701 7.8902 7.8902 9.2374 9.2374 9.2484 9.2484 10.1658 10.1658 10.1724 10.1724 11.7034 11.7034 11.7594 11.7594 12.2790 12.2790 k = 0.1522 0.5000 0.2626 ( 3208 PWs) bands (ev): 4.5453 4.5453 4.5807 4.5807 4.7307 4.7307 4.7500 4.7500 5.5789 5.5789 5.7383 5.7383 5.9532 5.9532 5.9890 5.9890 6.3102 6.3102 6.4558 6.4558 7.9122 7.9122 7.9333 7.9333 9.1996 9.1996 9.2119 9.2119 10.1524 10.1524 10.1600 10.1600 11.7291 11.7291 11.7842 11.7842 12.3224 12.3224 k = 0.1630 0.5000 0.2626 ( 3204 PWs) bands (ev): 4.5651 4.5651 4.6029 4.6029 4.7246 4.7246 4.7466 4.7466 5.5646 5.5646 5.7416 5.7416 5.9605 5.9605 5.9923 5.9923 6.2933 6.2933 6.4482 6.4482 7.9559 7.9559 7.9779 7.9779 9.1610 9.1610 9.1748 9.1748 10.1393 10.1393 10.1479 10.1479 11.7553 11.7553 11.8087 11.8087 12.3700 12.3700 k = 0.1739 0.5000 0.2626 ( 3204 PWs) bands (ev): 4.5851 4.5851 4.6246 4.6246 4.7190 4.7190 4.7445 4.7445 5.5492 5.5492 5.7428 5.7428 5.9688 5.9688 5.9972 5.9972 6.2770 6.2770 6.4408 6.4408 8.0007 8.0007 8.0238 8.0238 9.1219 9.1219 9.1373 9.1373 10.1263 10.1263 10.1360 10.1360 11.7826 11.7826 11.8340 11.8340 12.4206 12.4207 k = 0.1848 0.5000 0.2626 ( 3208 PWs) bands (ev): 4.6046 4.6046 4.6448 4.6448 4.7143 4.7143 4.7447 4.7447 5.5329 5.5329 5.7418 5.7418 5.9779 5.9779 6.0039 6.0039 6.2611 6.2611 6.4334 6.4334 8.0466 8.0466 8.0707 8.0707 9.0829 9.0829 9.1000 9.1000 10.1132 10.1132 10.1239 10.1239 11.8120 11.8120 11.8610 11.8610 12.4732 12.4732 k = 0.1957 0.5000 0.2626 ( 3216 PWs) bands (ev): 4.6228 4.6228 4.6614 4.6614 4.7113 4.7113 4.7489 4.7489 5.5158 5.5158 5.7387 5.7387 5.9877 5.9877 6.0126 6.0126 6.2458 6.2458 6.4262 6.4262 8.0931 8.0931 8.1185 8.1185 9.0443 9.0443 9.0632 9.0632 10.0999 10.0999 10.1117 10.1117 11.8439 11.8439 11.8905 11.8905 12.5269 12.5269 k = 0.2065 0.5000 0.2626 ( 3212 PWs) bands (ev): 4.6380 4.6380 4.6725 4.6725 4.7119 4.7119 4.7592 4.7592 5.4985 5.4985 5.7337 5.7337 5.9979 5.9979 6.0231 6.0231 6.2312 6.2312 6.4192 6.4192 8.1400 8.1400 8.1668 8.1668 9.0067 9.0067 9.0276 9.0276 10.0863 10.0863 10.0991 10.0991 11.8788 11.8788 11.9230 11.9230 12.5809 12.5809 k = 0.2174 0.5000 0.2626 ( 3204 PWs) bands (ev): 4.6480 4.6480 4.6779 4.6779 4.7178 4.7178 4.7756 4.7756 5.4810 5.4810 5.7270 5.7270 6.0085 6.0085 6.0355 6.0355 6.2169 6.2169 6.4125 6.4125 8.1868 8.1868 8.2153 8.2153 8.9705 8.9705 8.9937 8.9937 10.0723 10.0723 10.0860 10.0860 11.9170 11.9170 11.9587 11.9587 12.6345 12.6345 k = 0.2283 0.5000 0.2626 ( 3196 PWs) bands (ev): 4.6520 4.6520 4.6791 4.6791 4.7298 4.7298 4.7962 4.7962 5.4638 5.4638 5.7189 5.7189 6.0191 6.0191 6.0494 6.0494 6.2032 6.2032 6.4060 6.4060 8.2329 8.2329 8.2635 8.2635 8.9362 8.9362 8.9619 8.9619 10.0579 10.0579 10.0725 10.0725 11.9584 11.9584 11.9979 11.9979 12.6875 12.6875 k = 0.2391 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6516 4.6516 4.6778 4.6778 4.7460 4.7460 4.8188 4.8188 5.4470 5.4470 5.7098 5.7098 6.0293 6.0293 6.0643 6.0643 6.1898 6.1898 6.3998 6.3998 8.2776 8.2776 8.3106 8.3106 8.9046 8.9046 8.9332 8.9332 10.0432 10.0432 10.0586 10.0586 12.0030 12.0030 12.0403 12.0403 12.7393 12.7393 k = 0.2500 0.5000 0.2626 ( 3192 PWs) bands (ev): 4.6490 4.6490 4.6755 4.6755 4.7642 4.7642 4.8423 4.8423 5.4312 5.4312 5.7003 5.7003 6.0393 6.0393 6.0802 6.0802 6.1770 6.1770 6.3941 6.3941 8.3201 8.3201 8.3558 8.3558 8.8766 8.8766 8.9084 8.9084 10.0283 10.0283 10.0443 10.0443 12.0504 12.0505 12.0856 12.0856 12.7899 12.7899 k = 0.2609 0.5000 0.2626 ( 3196 PWs) bands (ev): 4.6453 4.6453 4.6724 4.6724 4.7830 4.7830 4.8654 4.8654 5.4166 5.4166 5.6904 5.6904 6.0486 6.0486 6.0962 6.0962 6.1650 6.1650 6.3889 6.3889 8.3590 8.3590 8.3978 8.3978 8.8536 8.8536 8.8888 8.8888 10.0132 10.0132 10.0298 10.0298 12.1002 12.1002 12.1335 12.1335 12.8393 12.8393 k = 0.2717 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6412 4.6412 4.6690 4.6690 4.8015 4.8015 4.8876 4.8876 5.4035 5.4035 5.6806 5.6806 6.0570 6.0570 6.1107 6.1107 6.1553 6.1553 6.3844 6.3844 8.3930 8.3930 8.4346 8.4346 8.8373 8.8373 8.8757 8.8757 9.9981 9.9981 10.0151 10.0151 12.1517 12.1517 12.1830 12.1830 12.8878 12.8878 k = 0.2826 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6370 4.6370 4.6657 4.6657 4.8194 4.8194 4.9082 4.9082 5.3926 5.3926 5.6713 5.6713 6.0643 6.0643 6.1181 6.1181 6.1536 6.1536 6.3807 6.3807 8.4204 8.4204 8.4640 8.4640 8.8300 8.8300 8.8706 8.8706 9.9831 9.9831 10.0004 10.0004 12.2040 12.2040 12.2332 12.2332 12.9357 12.9358 k = 0.2935 0.5000 0.2626 ( 3208 PWs) bands (ev): 4.6329 4.6329 4.6622 4.6622 4.8361 4.8361 4.9266 4.9266 5.3842 5.3842 5.6626 5.6626 6.0704 6.0704 6.1133 6.1133 6.1644 6.1644 6.3780 6.3780 8.4399 8.4399 8.4837 8.4837 8.8338 8.8338 8.8749 8.8749 9.9684 9.9684 9.9858 9.9858 12.2559 12.2559 12.2831 12.2831 12.9840 12.9840 k = 0.3043 0.5000 0.2626 ( 3212 PWs) bands (ev): 4.6292 4.6292 4.6591 4.6591 4.8515 4.8515 4.9423 4.9423 5.3786 5.3786 5.6547 5.6547 6.0748 6.0748 6.1029 6.1029 6.1810 6.1810 6.3764 6.3764 8.4510 8.4510 8.4930 8.4930 8.8493 8.8493 8.8888 8.8888 9.9541 9.9541 9.9715 9.9715 12.3061 12.3061 12.3311 12.3311 13.0334 13.0335 k = 0.3152 0.5000 0.2626 ( 3208 PWs) bands (ev): 4.6257 4.6257 4.6560 4.6560 4.8655 4.8655 4.9551 4.9551 5.3764 5.3764 5.6479 5.6479 6.0778 6.0778 6.0912 6.0912 6.1994 6.1994 6.3760 6.3760 8.4545 8.4545 8.4929 8.4929 8.8755 8.8755 8.9116 8.9116 9.9403 9.9403 9.9576 9.9576 12.3531 12.3531 12.3757 12.3757 13.0853 13.0854 k = 0.3261 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6227 4.6227 4.6533 4.6533 4.8780 4.8780 4.9647 4.9647 5.3775 5.3775 5.6422 5.6422 6.0790 6.0790 6.0790 6.0790 6.2184 6.2184 6.3770 6.3770 8.4516 8.4516 8.4859 8.4859 8.9095 8.9095 8.9416 8.9416 9.9271 9.9271 9.9442 9.9442 12.3955 12.3955 12.4154 12.4154 13.1408 13.1409 k = 0.3370 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6201 4.6201 4.6508 4.6508 4.8886 4.8886 4.9709 4.9709 5.3821 5.3821 5.6376 5.6376 6.0667 6.0667 6.0784 6.0784 6.2374 6.2374 6.3791 6.3791 8.4444 8.4444 8.4744 8.4744 8.9486 8.9486 8.9766 8.9766 9.9148 9.9148 9.9315 9.9315 12.4318 12.4318 12.4489 12.4489 13.2010 13.2010 k = 0.3478 0.5000 0.2626 ( 3200 PWs) bands (ev): 4.6178 4.6178 4.6484 4.6484 4.8976 4.8976 4.9741 4.9741 5.3897 5.3897 5.6341 5.6341 6.0545 6.0545 6.0761 6.0761 6.2563 6.2563 6.3824 6.3824 8.4343 8.4343 8.4605 8.4605 8.9907 8.9907 9.0151 9.0151 9.9032 9.9032 9.9195 9.9195 12.4610 12.4610 12.4753 12.4753 13.2668 13.2669 k = 0.3587 0.5000 0.2626 ( 3192 PWs) bands (ev): 4.6161 4.6161 4.6463 4.6463 4.9050 4.9050 4.9745 4.9745 5.4002 5.4002 5.6317 5.6317 6.0426 6.0426 6.0723 6.0723 6.2750 6.2750 6.3867 6.3867 8.4225 8.4225 8.4455 8.4455 9.0342 9.0342 9.0553 9.0553 9.8927 9.8927 9.9083 9.9083 12.4826 12.4826 12.4941 12.4941 13.3384 13.3384 k = 0.3696 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6148 4.6148 4.6444 4.6444 4.9107 4.9107 4.9728 4.9728 5.4130 5.4130 5.6302 5.6302 6.0312 6.0312 6.0671 6.0671 6.2930 6.2930 6.3918 6.3918 8.4101 8.4101 8.4302 8.4302 9.0777 9.0777 9.0960 9.0960 9.8832 9.8832 9.8982 9.8982 12.4966 12.4966 12.5055 12.5055 13.4157 13.4158 k = 0.3804 0.5000 0.2626 ( 3180 PWs) bands (ev): 4.6139 4.6139 4.6425 4.6425 4.9150 4.9150 4.9693 4.9693 5.4275 5.4275 5.6294 5.6294 6.0202 6.0202 6.0608 6.0608 6.3104 6.3104 6.3973 6.3973 8.3977 8.3977 8.4153 8.4153 9.1205 9.1205 9.1364 9.1364 9.8749 9.8749 9.8890 9.8890 12.5035 12.5035 12.5101 12.5101 13.4982 13.4997 k = 0.3913 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6134 4.6134 4.6409 4.6409 4.9180 4.9180 4.9646 4.9646 5.4432 5.4432 5.6290 5.6290 6.0099 6.0099 6.0533 6.0533 6.3270 6.3270 6.4030 6.4030 8.3856 8.3856 8.4010 8.4010 9.1617 9.1617 9.1755 9.1755 9.8677 9.8677 9.8810 9.8810 12.5042 12.5042 12.5088 12.5088 13.5849 13.5858 k = 0.4022 0.5000 0.2626 ( 3180 PWs) bands (ev): 4.6134 4.6134 4.6393 4.6393 4.9199 4.9199 4.9591 4.9591 5.4597 5.4597 5.6289 5.6289 6.0004 6.0004 6.0453 6.0453 6.3427 6.3427 6.4088 6.4088 8.3743 8.3743 8.3877 8.3877 9.2008 9.2008 9.2127 9.2127 9.8617 9.8617 9.8740 9.8740 12.4999 12.4999 12.5029 12.5029 13.6748 13.6748 k = 0.4130 0.5000 0.2626 ( 3176 PWs) bands (ev): 4.6136 4.6136 4.6378 4.6378 4.9209 4.9209 4.9534 4.9534 5.4767 5.4767 5.6287 5.6287 5.9919 5.9919 6.0367 6.0367 6.3574 6.3574 6.4143 6.4143 8.3639 8.3639 8.3755 8.3755 9.2371 9.2371 9.2474 9.2474 9.8570 9.8570 9.8682 9.8682 12.4917 12.4917 12.4935 12.4935 13.7659 13.7662 k = 0.4239 0.5000 0.2626 ( 3172 PWs) bands (ev): 4.6143 4.6143 4.6363 4.6363 4.9212 4.9212 4.9476 4.9476 5.4936 5.4936 5.6282 5.6282 5.9847 5.9847 6.0278 6.0278 6.3710 6.3710 6.4194 6.4194 8.3545 8.3545 8.3646 8.3646 9.2703 9.2703 9.2790 9.2790 9.8534 9.8534 9.8635 9.8635 12.4808 12.4808 12.4818 12.4818 13.8573 13.8581 k = 0.4348 0.5000 0.2626 ( 3168 PWs) bands (ev): 4.6152 4.6152 4.6348 4.6348 4.9211 4.9211 4.9420 4.9420 5.5103 5.5103 5.6269 5.6269 5.9787 5.9787 6.0189 6.0189 6.3833 6.3833 6.4238 6.4238 8.3464 8.3464 8.3549 8.3549 9.2998 9.2998 9.3070 9.3070 9.8510 9.8510 9.8599 9.8599 12.4686 12.4686 12.4689 12.4689 13.9467 13.9478 k = 0.4457 0.5000 0.2626 ( 3172 PWs) bands (ev): 4.6164 4.6164 4.6333 4.6333 4.9207 4.9207 4.9369 4.9369 5.5264 5.5264 5.6247 5.6247 5.9742 5.9742 6.0101 6.0101 6.3943 6.3943 6.4274 6.4274 8.3396 8.3396 8.3466 8.3466 9.3253 9.3253 9.3312 9.3312 9.8495 9.8495 9.8571 9.8571 12.4560 12.4560 12.4562 12.4562 14.0343 14.0386 k = 0.4565 0.5000 0.2626 ( 3176 PWs) bands (ev): 4.6177 4.6177 4.6316 4.6316 4.9202 4.9202 4.9323 4.9323 5.5418 5.5418 5.6212 5.6212 5.9712 5.9712 6.0017 6.0017 6.4039 6.4039 6.4299 6.4299 8.3341 8.3341 8.3396 8.3396 9.3466 9.3466 9.3512 9.3512 9.8489 9.8489 9.8551 9.8551 12.4441 12.4441 12.4444 12.4444 14.1168 14.1193 k = 0.4674 0.5000 0.2626 ( 3180 PWs) bands (ev): 4.6193 4.6193 4.6299 4.6299 4.9199 4.9199 4.9284 4.9284 5.5563 5.5563 5.6164 5.6164 5.9700 5.9700 5.9939 5.9939 6.4121 6.4121 6.4314 6.4314 8.3299 8.3299 8.3341 8.3341 9.3634 9.3634 9.3668 9.3668 9.8489 9.8489 9.8536 9.8536 12.4339 12.4339 12.4343 12.4343 14.1907 14.1912 k = 0.4783 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6210 4.6210 4.6282 4.6282 4.9198 4.9198 4.9252 4.9252 5.5697 5.5697 5.6100 5.6100 5.9704 5.9704 5.9869 5.9869 6.4189 6.4189 6.4316 6.4316 8.3271 8.3271 8.3299 8.3299 9.3756 9.3756 9.3778 9.3778 9.8494 9.8494 9.8525 9.8525 12.4262 12.4262 12.4265 12.4265 14.2512 14.2549 k = 0.4891 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6228 4.6228 4.6264 4.6264 4.9202 4.9202 4.9228 4.9228 5.5819 5.5819 5.6022 5.6022 5.9725 5.9725 5.9808 5.9808 6.4242 6.4242 6.4305 6.4305 8.3257 8.3257 8.3271 8.3271 9.3831 9.3831 9.3843 9.3843 9.8500 9.8500 9.8516 9.8516 12.4214 12.4214 12.4215 12.4215 14.2925 14.2929 k = 0.5000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6246 4.6246 4.6246 4.6246 4.9212 4.9212 4.9212 4.9212 5.5928 5.5928 5.5928 5.5928 5.9760 5.9760 5.9760 5.9760 6.4281 6.4281 6.4281 6.4281 8.3257 8.3257 8.3257 8.3257 9.3860 9.3860 9.3860 9.3860 9.8508 9.8508 9.8508 9.8508 12.4198 12.4198 12.4198 12.4198 14.3078 14.3078 k = 0.5000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6246 4.6246 4.6246 4.6246 4.9212 4.9212 4.9212 4.9212 5.5928 5.5928 5.5928 5.5928 5.9760 5.9760 5.9760 5.9760 6.4281 6.4281 6.4281 6.4281 8.3257 8.3257 8.3257 8.3257 9.3860 9.3860 9.3860 9.3860 9.8508 9.8508 9.8508 9.8508 12.4198 12.4198 12.4198 12.4198 14.3078 14.3078 k = 0.4923 0.4923 0.2626 ( 3184 PWs) bands (ev): 4.6227 4.6227 4.6265 4.6265 4.9202 4.9202 4.9228 4.9228 5.5819 5.5819 5.6022 5.6022 5.9724 5.9724 5.9809 5.9809 6.4240 6.4240 6.4307 6.4307 8.3255 8.3255 8.3273 8.3273 9.3788 9.3788 9.3887 9.3887 9.8500 9.8500 9.8516 9.8516 12.4200 12.4200 12.4229 12.4229 14.2861 14.2862 k = 0.4846 0.4846 0.2626 ( 3184 PWs) bands (ev): 4.6206 4.6206 4.6286 4.6286 4.9196 4.9196 4.9254 4.9254 5.5698 5.5698 5.6100 5.6100 5.9700 5.9700 5.9873 5.9873 6.4175 6.4175 6.4330 6.4330 8.3257 8.3257 8.3312 8.3312 9.3573 9.3573 9.3964 9.3964 9.8492 9.8492 9.8526 9.8526 12.4206 12.4206 12.4320 12.4320 14.2281 14.2281 k = 0.4769 0.4769 0.2626 ( 3172 PWs) bands (ev): 4.6182 4.6182 4.6312 4.6312 4.9195 4.9195 4.9290 4.9290 5.5565 5.5565 5.6163 5.6163 5.9686 5.9686 5.9952 5.9952 6.4081 6.4081 6.4357 6.4357 8.3262 8.3262 8.3374 8.3374 9.3225 9.3225 9.4091 9.4091 9.8482 9.8482 9.8538 9.8538 12.4215 12.4215 12.4461 12.4461 14.1472 14.1472 k = 0.4692 0.4692 0.2626 ( 3172 PWs) bands (ev): 4.6153 4.6153 4.6344 4.6344 4.9194 4.9194 4.9334 4.9334 5.5423 5.5423 5.6210 5.6210 5.9679 5.9679 6.0045 6.0045 6.3954 6.3954 6.4387 6.4387 8.3268 8.3268 8.3457 8.3457 9.2758 9.2758 9.4268 9.4268 9.8471 9.8471 9.8553 9.8553 12.4229 12.4229 12.4640 12.4640 14.0536 14.0536 k = 0.4615 0.4615 0.2626 ( 3174 PWs) bands (ev): 4.6118 4.6118 4.6383 4.6383 4.9194 4.9194 4.9386 4.9386 5.5272 5.5272 5.6242 5.6242 5.9679 5.9679 6.0149 6.0149 6.3798 6.3798 6.4424 6.4424 8.3275 8.3275 8.3554 8.3554 9.2188 9.2188 9.4491 9.4491 9.8457 9.8457 9.8571 9.8571 12.4247 12.4247 12.4838 12.4838 13.9533 13.9533 k = 0.4538 0.4538 0.2626 ( 3174 PWs) bands (ev): 4.6081 4.6081 4.6428 4.6428 4.9196 4.9196 4.9445 4.9445 5.5117 5.5117 5.6260 5.6260 5.9684 5.9684 6.0263 6.0263 6.3614 6.3614 6.4466 6.4466 8.3284 8.3284 8.3657 8.3657 9.1541 9.1541 9.4759 9.4759 9.8442 9.8442 9.8592 9.8592 12.4270 12.4270 12.5040 12.5040 13.8497 13.8497 k = 0.4462 0.4462 0.2626 ( 3178 PWs) bands (ev): 4.6041 4.6041 4.6482 4.6482 4.9197 4.9197 4.9511 4.9511 5.4958 5.4958 5.6265 5.6265 5.9692 5.9692 6.0380 6.0380 6.3406 6.3406 6.4515 6.4515 8.3292 8.3292 8.3752 8.3752 9.0844 9.0844 9.5069 9.5069 9.8423 9.8423 9.8616 9.8616 12.4297 12.4297 12.5225 12.5225 13.7447 13.7447 k = 0.4385 0.4385 0.2626 ( 3174 PWs) bands (ev): 4.6001 4.6001 4.6543 4.6543 4.9200 4.9200 4.9580 4.9580 5.4798 5.4798 5.6260 5.6260 5.9703 5.9703 6.0498 6.0498 6.3181 6.3181 6.4568 6.4568 8.3298 8.3298 8.3815 8.3815 9.0136 9.0136 9.5417 9.5417 9.8402 9.8402 9.8644 9.8644 12.4329 12.4329 12.5378 12.5378 13.6394 13.6394 k = 0.4308 0.4308 0.2626 ( 3176 PWs) bands (ev): 4.5961 4.5961 4.6611 4.6611 4.9202 4.9202 4.9651 4.9651 5.4639 5.4639 5.6245 5.6245 5.9715 5.9715 6.0607 6.0607 6.2946 6.2946 6.4626 6.4626 8.3299 8.3299 8.3814 8.3814 8.9467 8.9467 9.5801 9.5801 9.8380 9.8380 9.8673 9.8673 12.4365 12.4365 12.5484 12.5484 13.5348 13.5348 k = 0.4231 0.4231 0.2626 ( 3176 PWs) bands (ev): 4.5922 4.5922 4.6686 4.6686 4.9203 4.9203 4.9721 4.9721 5.4482 5.4482 5.6222 5.6222 5.9728 5.9728 6.0699 6.0699 6.2711 6.2711 6.4687 6.4687 8.3280 8.3280 8.3708 8.3708 8.8902 8.8902 9.6215 9.6215 9.8356 9.8356 9.8705 9.8705 12.4408 12.4408 12.5531 12.5531 13.4312 13.4312 k = 0.4154 0.4154 0.2626 ( 3180 PWs) bands (ev): 4.5885 4.5885 4.6769 4.6769 4.9204 4.9204 4.9789 4.9789 5.4328 5.4328 5.6192 5.6192 5.9740 5.9740 6.0758 6.0758 6.2492 6.2492 6.4750 6.4750 8.3156 8.3156 8.3524 8.3524 8.8509 8.8509 9.6653 9.6653 9.8334 9.8334 9.8738 9.8738 12.4456 12.4456 12.5512 12.5512 13.3291 13.3291 k = 0.4077 0.4077 0.2626 ( 3190 PWs) bands (ev): 4.5850 4.5850 4.6858 4.6858 4.9204 4.9204 4.9853 4.9853 5.4179 5.4179 5.6157 5.6157 5.9749 5.9749 6.0764 6.0764 6.2313 6.2313 6.4814 6.4814 8.2721 8.2721 8.3437 8.3437 8.8325 8.8325 9.7106 9.7106 9.8320 9.8320 9.8772 9.8772 12.4509 12.4509 12.5421 12.5421 13.2288 13.2288 k = 0.4000 0.4000 0.2626 ( 3186 PWs) bands (ev): 4.5821 4.5821 4.6954 4.6954 4.9202 4.9202 4.9912 4.9912 5.4037 5.4037 5.6117 5.6117 5.9750 5.9750 6.0703 6.0703 6.2197 6.2197 6.4878 6.4878 8.2026 8.2026 8.3417 8.3417 8.8337 8.8337 9.7544 9.7544 9.8340 9.8340 9.8807 9.8807 12.4569 12.4569 12.5259 12.5259 13.1307 13.1307 k = 0.3923 0.3923 0.2626 ( 3186 PWs) bands (ev): 4.5798 4.5798 4.7056 4.7056 4.9198 4.9198 4.9963 4.9963 5.3901 5.3901 5.6073 5.6073 5.9733 5.9733 6.0574 6.0574 6.2149 6.2149 6.4941 6.4941 8.1173 8.1173 8.3407 8.3407 8.8501 8.8501 9.7865 9.7865 9.8488 9.8488 9.8846 9.8846 12.4635 12.4635 12.5026 12.5026 13.0349 13.0349 k = 0.3846 0.3846 0.2626 ( 3190 PWs) bands (ev): 4.5779 4.5779 4.7163 4.7163 4.9193 4.9193 5.0004 5.0004 5.3773 5.3773 5.6026 5.6026 5.9679 5.9679 6.0415 6.0415 6.2157 6.2157 6.5002 6.5002 8.0222 8.0222 8.3396 8.3396 8.8774 8.8774 9.7968 9.7968 9.8791 9.8791 9.8961 9.8961 12.4696 12.4696 12.4738 12.4738 12.9416 12.9416 k = 0.3769 0.3769 0.2626 ( 3180 PWs) bands (ev): 4.5768 4.5768 4.7275 4.7275 4.9186 4.9186 5.0035 5.0035 5.3654 5.3654 5.5977 5.5977 5.9556 5.9556 6.0282 6.0282 6.2200 6.2200 6.5060 6.5060 7.9213 7.9213 8.3377 8.3377 8.9122 8.9122 9.7966 9.7966 9.8869 9.8869 9.9416 9.9416 12.4363 12.4363 12.4790 12.4790 12.8511 12.8511 k = 0.3692 0.3692 0.2626 ( 3190 PWs) bands (ev): 4.5762 4.5762 4.7388 4.7388 4.9176 4.9176 5.0052 5.0052 5.3541 5.3541 5.5925 5.5925 5.9345 5.9345 6.0210 6.0210 6.2258 6.2258 6.5114 6.5114 7.8171 7.8171 8.3346 8.3346 8.9522 8.9522 9.7934 9.7934 9.8895 9.8895 9.9959 9.9959 12.3949 12.3949 12.4875 12.4875 12.7635 12.7635 k = 0.3615 0.3615 0.2626 ( 3190 PWs) bands (ev): 4.5763 4.5763 4.7504 4.7504 4.9162 4.9162 5.0059 5.0059 5.3436 5.3436 5.5871 5.5871 5.9072 5.9072 6.0190 6.0190 6.2322 6.2322 6.5163 6.5163 7.7116 7.7116 8.3301 8.3301 8.9958 8.9958 9.7894 9.7894 9.8911 9.8911 10.0526 10.0526 12.3490 12.3490 12.4968 12.4968 12.6790 12.6790 k = 0.3538 0.3538 0.2626 ( 3186 PWs) bands (ev): 4.5773 4.5773 4.7620 4.7620 4.9144 4.9144 5.0053 5.0053 5.3336 5.3336 5.5815 5.5815 5.8768 5.8768 6.0201 6.0201 6.2385 6.2385 6.5207 6.5207 7.6060 7.6060 8.3235 8.3235 9.0419 9.0419 9.7852 9.7852 9.8919 9.8919 10.1106 10.1106 12.2995 12.2995 12.5066 12.5066 12.5979 12.5979 k = 0.3462 0.3462 0.2626 ( 3182 PWs) bands (ev): 4.5789 4.5789 4.7734 4.7734 4.9122 4.9122 5.0038 5.0038 5.3240 5.3240 5.5756 5.5756 5.8452 5.8452 6.0230 6.0230 6.2443 6.2443 6.5246 6.5246 7.5013 7.5013 8.3146 8.3146 9.0894 9.0894 9.7817 9.7817 9.8918 9.8918 10.1695 10.1695 12.2473 12.2473 12.5143 12.5143 12.5228 12.5228 k = 0.3385 0.3385 0.2626 ( 3186 PWs) bands (ev): 4.5814 4.5814 4.7842 4.7842 4.9093 4.9093 5.0014 5.0014 5.3143 5.3143 5.5694 5.5694 5.8136 5.8136 6.0269 6.0269 6.2493 6.2493 6.5274 6.5274 7.3984 7.3984 8.3027 8.3027 9.1375 9.1375 9.7791 9.7791 9.8907 9.8907 10.2288 10.2288 12.1935 12.1935 12.4456 12.4456 12.5281 12.5282 k = 0.3308 0.3308 0.2626 ( 3186 PWs) bands (ev): 4.5846 4.5846 4.7940 4.7940 4.9059 4.9059 4.9986 4.9986 5.3043 5.3043 5.5627 5.5627 5.7829 5.7829 6.0320 6.0320 6.2532 6.2532 6.5297 6.5297 7.2979 7.2979 8.2875 8.2875 9.1853 9.1853 9.7781 9.7781 9.8885 9.8885 10.2884 10.2884 12.1389 12.1389 12.3753 12.3753 12.5391 12.5391 k = 0.3231 0.3231 0.2626 ( 3190 PWs) bands (ev): 4.5887 4.5887 4.8026 4.8026 4.9017 4.9017 4.9957 4.9957 5.2937 5.2937 5.5555 5.5555 5.7537 5.7537 6.0378 6.0378 6.2562 6.2562 6.5310 6.5310 7.2005 7.2005 8.2684 8.2684 9.2321 9.2321 9.7792 9.7792 9.8850 9.8850 10.3479 10.3479 12.0846 12.0846 12.3088 12.3088 12.5502 12.5502 k = 0.3154 0.3154 0.2626 ( 3198 PWs) bands (ev): 4.5935 4.5935 4.8094 4.8094 4.8967 4.8967 4.9931 4.9931 5.2821 5.2821 5.5474 5.5474 5.7265 5.7265 6.0445 6.0445 6.2580 6.2580 6.5315 6.5315 7.1066 7.1066 8.2450 8.2450 9.2771 9.2771 9.7829 9.7829 9.8802 9.8802 10.4071 10.4071 12.0315 12.0315 12.2462 12.2462 12.5612 12.5612 k = 0.3077 0.3077 0.2626 ( 3202 PWs) bands (ev): 4.5990 4.5990 4.8140 4.8140 4.8908 4.8908 4.9911 4.9911 5.2691 5.2691 5.5386 5.5386 5.7020 5.7020 6.0518 6.0518 6.2588 6.2588 6.5311 6.5311 7.0170 7.0170 8.2170 8.2170 9.3195 9.3195 9.7899 9.7899 9.8739 9.8739 10.4659 10.4659 11.9805 11.9805 12.1879 12.1879 12.5717 12.5717 k = 0.3000 0.3000 0.2626 ( 3198 PWs) bands (ev): 4.6055 4.6055 4.8161 4.8161 4.8839 4.8839 4.9903 4.9903 5.2547 5.2547 5.5289 5.5289 5.6805 5.6805 6.0598 6.0598 6.2585 6.2585 6.5296 6.5296 6.9322 6.9322 8.1842 8.1842 9.3584 9.3584 9.8004 9.8004 9.8662 9.8662 10.5241 10.5241 11.9325 11.9325 12.1336 12.1336 12.5819 12.5819 k = 0.2923 0.2923 0.2626 ( 3206 PWs) bands (ev): 4.6126 4.6126 4.8152 4.8152 4.8758 4.8758 4.9903 4.9903 5.2385 5.2385 5.5183 5.5183 5.6621 5.6621 6.0682 6.0682 6.2571 6.2571 6.5268 6.5268 6.8529 6.8529 8.1463 8.1463 9.3931 9.3931 9.8147 9.8147 9.8571 9.8571 10.5815 10.5815 11.8884 11.8884 12.0837 12.0837 12.5918 12.5918 k = 0.2846 0.2846 0.2626 ( 3198 PWs) bands (ev): 4.6204 4.6204 4.8117 4.8117 4.8667 4.8667 4.9910 4.9910 5.2208 5.2208 5.5072 5.5072 5.6470 5.6470 6.0769 6.0769 6.2548 6.2548 6.5225 6.5225 6.7799 6.7799 8.1035 8.1035 9.4228 9.4228 9.8312 9.8312 9.8485 9.8485 10.6381 10.6381 11.8489 11.8489 12.0380 12.0380 12.6018 12.6018 k = 0.2769 0.2769 0.2626 ( 3206 PWs) bands (ev): 4.6289 4.6289 4.8055 4.8055 4.8563 4.8563 4.9912 4.9912 5.2019 5.2019 5.4958 5.4958 5.6348 5.6348 6.0856 6.0856 6.2515 6.2515 6.5160 6.5160 6.7141 6.7141 8.0558 8.0558 9.4468 9.4468 9.8300 9.8300 9.8607 9.8607 10.6935 10.6935 11.8145 11.8145 11.9965 11.9965 12.6126 12.6126 k = 0.2692 0.2692 0.2626 ( 3202 PWs) bands (ev): 4.6379 4.6379 4.7971 4.7971 4.8448 4.8448 4.9898 4.9898 5.1828 5.1828 5.4847 5.4847 5.6253 5.6253 6.0940 6.0940 6.2476 6.2476 6.5062 6.5062 6.6572 6.6572 8.0036 8.0036 9.4648 9.4648 9.8165 9.8165 9.8880 9.8880 10.7479 10.7479 11.7856 11.7856 11.9593 11.9593 12.6248 12.6248 k = 0.2615 0.2615 0.2626 ( 3202 PWs) bands (ev): 4.6475 4.6475 4.7867 4.7867 4.8324 4.8324 4.9850 4.9850 5.1648 5.1648 5.4743 5.4743 5.6180 5.6180 6.1016 6.1016 6.2429 6.2429 6.4914 6.4914 6.6113 6.6113 7.9472 7.9472 9.4761 9.4761 9.8007 9.8007 9.9209 9.9209 10.8009 10.8009 11.7626 11.7626 11.9262 11.9262 12.6390 12.6390 k = 0.2538 0.2538 0.2626 ( 3198 PWs) bands (ev): 4.6573 4.6573 4.7746 4.7746 4.8193 4.8193 4.9747 4.9747 5.1497 5.1497 5.4649 5.4649 5.6127 5.6127 6.1078 6.1078 6.2376 6.2376 6.4704 6.4704 6.5780 6.5780 7.8870 7.8870 9.4808 9.4808 9.7832 9.7832 9.9586 9.9586 10.8527 10.8527 11.7453 11.7453 11.8971 11.8971 12.6556 12.6556 k = 0.2462 0.2462 0.2626 ( 3202 PWs) bands (ev): 4.6671 4.6671 4.7611 4.7611 4.8057 4.8057 4.9575 4.9575 5.1388 5.1388 5.4566 5.4566 5.6088 5.6088 6.1117 6.1117 6.2322 6.2322 6.4451 6.4451 6.5558 6.5558 7.8235 7.8235 9.4788 9.4788 9.7642 9.7642 10.0010 10.0010 10.9029 10.9029 11.7335 11.7335 11.8718 11.8718 12.6746 12.6746 k = 0.2385 0.2385 0.2626 ( 3198 PWs) bands (ev): 4.6760 4.6760 4.7472 4.7472 4.7920 4.7920 4.9333 4.9333 5.1326 5.1326 5.4496 5.4496 5.6064 5.6064 6.1126 6.1126 6.2269 6.2269 6.4201 6.4201 6.5404 6.5404 7.7574 7.7574 9.4704 9.4704 9.7440 9.7440 10.0478 10.0478 10.9517 10.9517 11.7268 11.7268 11.8503 11.8503 12.6962 12.6962 k = 0.2308 0.2308 0.2626 ( 3202 PWs) bands (ev): 4.6813 4.6813 4.7351 4.7351 4.7782 4.7782 4.9033 4.9033 5.1302 5.1302 5.4439 5.4439 5.6052 5.6052 6.1098 6.1098 6.2220 6.2220 6.3987 6.3987 6.5284 6.5284 7.6891 7.6891 9.4559 9.4559 9.7226 9.7226 10.0989 10.0989 10.9988 10.9988 11.7245 11.7245 11.8323 11.8323 12.7202 12.7202 k = 0.2231 0.2231 0.2626 ( 3210 PWs) bands (ev): 4.6776 4.6776 4.7301 4.7301 4.7643 4.7643 4.8695 4.8695 5.1302 5.1302 5.4394 5.4394 5.6051 5.6051 6.1031 6.1031 6.2178 6.2178 6.3825 6.3825 6.5178 6.5178 7.6192 7.6192 9.4360 9.4360 9.7003 9.7003 10.1542 10.1542 11.0444 11.0444 11.7257 11.7257 11.8177 11.8177 12.7465 12.7465 k = 0.2154 0.2154 0.2626 ( 3202 PWs) bands (ev): 4.6629 4.6629 4.7338 4.7338 4.7506 4.7506 4.8342 4.8342 5.1319 5.1319 5.4362 5.4362 5.6061 5.6061 6.0930 6.0930 6.2140 6.2140 6.3717 6.3717 6.5078 6.5078 7.5483 7.5483 9.4112 9.4112 9.6772 9.6772 10.2136 10.2136 11.0884 11.0884 11.7295 11.7295 11.8064 11.8064 12.7749 12.7749 k = 0.2077 0.2077 0.2626 ( 3208 PWs) bands (ev): 4.6409 4.6409 4.7333 4.7333 4.7429 4.7429 4.8012 4.8012 5.1343 5.1343 5.4339 5.4339 5.6081 5.6081 6.0805 6.0805 6.2101 6.2101 6.3656 6.3656 6.4978 6.4978 7.4770 7.4770 9.3825 9.3825 9.6536 9.6536 10.2767 10.2767 11.1306 11.1306 11.7349 11.7349 11.7983 11.7983 12.8052 12.8052 k = 0.2000 0.2000 0.2626 ( 3206 PWs) bands (ev): 4.6144 4.6144 4.7158 4.7158 4.7432 4.7432 4.7805 4.7805 5.1370 5.1370 5.4326 5.4326 5.6110 5.6110 6.0667 6.0667 6.2057 6.2057 6.3630 6.3630 6.4878 6.4878 7.4057 7.4057 9.3505 9.3505 9.6297 9.6297 10.3437 10.3437 11.1711 11.1711 11.7408 11.7408 11.7934 11.7934 12.8370 12.8370 k = 0.1923 0.1923 0.2626 ( 3206 PWs) bands (ev): 4.5840 4.5840 4.6914 4.6914 4.7307 4.7307 4.7826 4.7826 5.1398 5.1398 5.4322 5.4322 5.6147 5.6147 6.0526 6.0526 6.2006 6.2006 6.3629 6.3629 6.4774 6.4774 7.3352 7.3352 9.3159 9.3159 9.6055 9.6055 10.4142 10.4142 11.2100 11.2100 11.7464 11.7464 11.7917 11.7917 12.8703 12.8703 k = 0.1846 0.1846 0.2626 ( 3200 PWs) bands (ev): 4.5500 4.5500 4.6628 4.6628 4.7168 4.7168 4.7940 4.7940 5.1425 5.1425 5.4325 5.4325 5.6194 5.6194 6.0387 6.0387 6.1943 6.1943 6.3642 6.3642 6.4670 6.4670 7.2659 7.2659 9.2795 9.2795 9.5815 9.5815 10.4883 10.4883 11.2471 11.2471 11.7510 11.7510 11.7931 11.7931 12.9046 12.9046 k = 0.1769 0.1769 0.2626 ( 3200 PWs) bands (ev): 4.5127 4.5127 4.6338 4.6338 4.7049 4.7049 4.8076 4.8076 5.1450 5.1450 5.4334 5.4334 5.6249 5.6249 6.0255 6.0255 6.1868 6.1868 6.3660 6.3660 6.4562 6.4562 7.1985 7.1985 9.2420 9.2420 9.5576 9.5576 10.5657 10.5657 11.2825 11.2825 11.7546 11.7546 11.7970 11.7970 12.9397 12.9397 k = 0.1692 0.1692 0.2626 ( 3192 PWs) bands (ev): 4.4729 4.4729 4.6063 4.6063 4.6943 4.6943 4.8221 4.8221 5.1474 5.1474 5.4349 5.4349 5.6312 5.6312 6.0134 6.0134 6.1777 6.1777 6.3672 6.3672 6.4455 6.4455 7.1337 7.1337 9.2039 9.2039 9.5341 9.5341 10.6465 10.6465 11.3163 11.3163 11.7575 11.7575 11.8025 11.8025 12.9752 12.9752 k = 0.1615 0.1615 0.2626 ( 3200 PWs) bands (ev): 4.4316 4.4316 4.5803 4.5803 4.6845 4.6845 4.8371 4.8371 5.1495 5.1495 5.4370 5.4370 5.6383 5.6383 6.0022 6.0022 6.1667 6.1667 6.3668 6.3668 6.4349 6.4349 7.0719 7.0719 9.1658 9.1658 9.5110 9.5110 10.7305 10.7305 11.3484 11.3484 11.7603 11.7603 11.8087 11.8087 13.0103 13.0103 k = 0.1538 0.1538 0.2626 ( 3202 PWs) bands (ev): 4.3897 4.3897 4.5561 4.5561 4.6756 4.6756 4.8522 4.8522 5.1516 5.1516 5.4395 5.4395 5.6462 5.6462 5.9923 5.9923 6.1536 6.1536 6.3642 6.3642 6.4248 6.4248 7.0139 7.0139 9.1282 9.1282 9.4886 9.4886 10.8176 10.8176 11.3788 11.3788 11.7632 11.7632 11.8151 11.8151 13.0401 13.0404 k = 0.1462 0.1462 0.2626 ( 3204 PWs) bands (ev): 4.3478 4.3478 4.5333 4.5333 4.6673 4.6673 4.8674 4.8674 5.1536 5.1536 5.4426 5.4426 5.6548 5.6548 5.9835 5.9835 6.1381 6.1381 6.3587 6.3587 6.4154 6.4154 6.9605 6.9605 9.0913 9.0913 9.4669 9.4669 10.9078 10.9078 11.4077 11.4077 11.7663 11.7663 11.8215 11.8215 13.0551 13.0551 k = 0.1385 0.1385 0.2626 ( 3208 PWs) bands (ev): 4.3066 4.3066 4.5118 4.5118 4.6597 4.6597 4.8826 4.8826 5.1557 5.1557 5.4460 5.4460 5.6642 5.6642 5.9760 5.9760 6.1199 6.1199 6.3500 6.3500 6.4063 6.4063 6.9122 6.9122 9.0557 9.0557 9.4461 9.4461 11.0010 11.0010 11.4350 11.4350 11.7697 11.7697 11.8278 11.8278 13.0654 13.0654 k = 0.1308 0.1308 0.2626 ( 3214 PWs) bands (ev): 4.2664 4.2664 4.4914 4.4914 4.6525 4.6525 4.8976 4.8976 5.1580 5.1580 5.4500 5.4500 5.6741 5.6741 5.9697 5.9697 6.0988 6.0988 6.3386 6.3386 6.3969 6.3969 6.8696 6.8696 9.0216 9.0216 9.4261 9.4261 11.0970 11.0970 11.4607 11.4607 11.7733 11.7733 11.8340 11.8340 13.0737 13.0737 k = 0.1231 0.1231 0.2626 ( 3210 PWs) bands (ev): 4.2276 4.2276 4.4721 4.4721 4.6460 4.6460 4.9126 4.9126 5.1606 5.1606 5.4546 5.4546 5.6848 5.6848 5.9647 5.9647 6.0749 6.0749 6.3249 6.3249 6.3864 6.3864 6.8332 6.8332 8.9891 8.9891 9.4072 9.4072 11.1958 11.1958 11.4849 11.4849 11.7771 11.7771 11.8400 11.8400 13.0801 13.0801 k = 0.1154 0.1154 0.2626 ( 3206 PWs) bands (ev): 4.1904 4.1904 4.4540 4.4540 4.6400 4.6400 4.9274 4.9274 5.1637 5.1637 5.4595 5.4595 5.6959 5.6959 5.9610 5.9610 6.0483 6.0483 6.3093 6.3093 6.3743 6.3743 6.8030 6.8030 8.9585 8.9585 9.3893 9.3893 11.2972 11.2972 11.5076 11.5076 11.7809 11.7809 11.8460 11.8460 13.0836 13.0836 k = 0.1077 0.1077 0.2626 ( 3210 PWs) bands (ev): 4.1550 4.1550 4.4370 4.4370 4.6344 4.6344 4.9417 4.9417 5.1671 5.1671 5.4647 5.4647 5.7074 5.7074 5.9584 5.9584 6.0192 6.0192 6.2922 6.2922 6.3603 6.3603 6.7787 6.7787 8.9299 8.9299 9.3725 9.3725 11.4011 11.4011 11.5289 11.5289 11.7848 11.7848 11.8521 11.8521 13.0820 13.0820 k = 0.1000 0.1000 0.2626 ( 3202 PWs) bands (ev): 4.1216 4.1216 4.4211 4.4211 4.6294 4.6294 4.9558 4.9558 5.1712 5.1712 5.4703 5.4703 5.7191 5.7191 5.9572 5.9572 5.9882 5.9882 6.2739 6.2739 6.3445 6.3445 6.7599 6.7599 8.9033 8.9033 9.3568 9.3568 11.5072 11.5072 11.5487 11.5487 11.7888 11.7888 11.8582 11.8582 13.0718 13.0719 k = 0.0923 0.0923 0.2626 ( 3206 PWs) bands (ev): 4.0903 4.0903 4.4062 4.4062 4.6247 4.6247 4.9693 4.9693 5.1758 5.1758 5.4761 5.4761 5.7306 5.7306 5.9552 5.9552 5.9582 5.9582 6.2545 6.2545 6.3272 6.3272 6.7458 6.7458 8.8789 8.8789 9.3423 9.3423 11.5669 11.5669 11.6152 11.6152 11.7929 11.7929 11.8644 11.8644 13.0544 13.0545 k = 0.0846 0.0846 0.2626 ( 3214 PWs) bands (ev): 4.0613 4.0613 4.3925 4.3925 4.6204 4.6204 4.9824 4.9824 5.1812 5.1812 5.4819 5.4819 5.7412 5.7412 5.9241 5.9241 5.9587 5.9587 6.2342 6.2342 6.3087 6.3087 6.7355 6.7355 8.8567 8.8567 9.3289 9.3289 11.5839 11.5839 11.7235 11.7235 11.7975 11.7975 11.8714 11.8714 13.0344 13.0344 k = 0.0769 0.0769 0.2626 ( 3222 PWs) bands (ev): 4.0345 4.0345 4.3798 4.3798 4.6166 4.6166 4.9950 4.9950 5.1874 5.1874 5.4877 5.4877 5.7495 5.7495 5.8945 5.8945 5.9613 5.9613 6.2131 6.2131 6.2894 6.2894 6.7284 6.7284 8.8366 8.8366 9.3167 9.3167 11.5993 11.5993 11.7969 11.7969 11.8322 11.8322 11.8849 11.8849 13.0144 13.0144 k = 0.0692 0.0692 0.2626 ( 3218 PWs) bands (ev): 4.0101 4.0101 4.3682 4.3682 4.6131 4.6131 5.0069 5.0069 5.1944 5.1944 5.4933 5.4933 5.7525 5.7525 5.8710 5.8710 5.9653 5.9653 6.1915 6.1915 6.2697 6.2697 6.7238 6.7238 8.8186 8.8186 9.3057 9.3057 11.6134 11.6134 11.8026 11.8026 11.8727 11.8727 11.9611 11.9611 12.9953 12.9953 k = 0.0615 0.0615 0.2626 ( 3222 PWs) bands (ev): 3.9881 3.9881 4.3579 4.3579 4.6100 4.6100 5.0180 5.0180 5.2023 5.2023 5.4984 5.4984 5.7459 5.7459 5.8585 5.8585 5.9705 5.9705 6.1695 6.1695 6.2497 6.2497 6.7208 6.7208 8.8027 8.8027 9.2958 9.2958 11.6260 11.6260 11.8064 11.8064 11.8809 11.8809 12.0722 12.0722 12.9777 12.9777 k = 0.0538 0.0538 0.2626 ( 3224 PWs) bands (ev): 3.9686 3.9686 4.3487 4.3487 4.6073 4.6073 5.0282 5.0282 5.2109 5.2109 5.5029 5.5029 5.7289 5.7289 5.8585 5.8585 5.9767 5.9767 6.1473 6.1473 6.2297 6.2297 6.7191 6.7191 8.7889 8.7889 9.2871 9.2871 11.6371 11.6371 11.8097 11.8097 11.8863 11.8863 12.1860 12.1860 12.9619 12.9619 k = 0.0462 0.0462 0.2626 ( 3222 PWs) bands (ev): 3.9516 3.9516 4.3408 4.3408 4.6049 4.6049 5.0373 5.0373 5.2203 5.2203 5.5065 5.5065 5.7062 5.7062 5.8673 5.8673 5.9839 5.9839 6.1251 6.1251 6.2101 6.2101 6.7184 6.7184 8.7770 8.7770 9.2796 9.2796 11.6469 11.6469 11.8126 11.8126 11.8909 11.8909 12.3001 12.3001 12.9481 12.9481 k = 0.0385 0.0385 0.2626 ( 3226 PWs) bands (ev): 3.9372 3.9372 4.3341 4.3341 4.6029 4.6029 5.0452 5.0452 5.2300 5.2300 5.5088 5.5088 5.6825 5.6825 5.8809 5.8809 5.9916 5.9916 6.1032 6.1032 6.1911 6.1911 6.7182 6.7182 8.7671 8.7671 9.2733 9.2733 11.6551 11.6551 11.8153 11.8153 11.8947 11.8947 12.4128 12.4128 12.9366 12.9366 k = 0.0308 0.0308 0.2626 ( 3230 PWs) bands (ev): 3.9254 3.9254 4.3285 4.3285 4.6012 4.6012 5.0519 5.0519 5.2397 5.2397 5.5097 5.5097 5.6608 5.6608 5.8972 5.8972 5.9989 5.9989 6.0825 6.0825 6.1731 6.1731 6.7181 6.7181 8.7591 8.7591 9.2682 9.2682 11.6619 11.6619 11.8175 11.8175 11.8979 11.8979 12.5227 12.5227 12.9278 12.9278 k = 0.0231 0.0231 0.2626 ( 3238 PWs) bands (ev): 3.9161 3.9161 4.3242 4.3242 4.5999 4.5999 5.0570 5.0570 5.2487 5.2487 5.5092 5.5092 5.6429 5.6429 5.9152 5.9152 6.0037 6.0037 6.0645 6.0645 6.1567 6.1567 6.7183 6.7183 8.7529 8.7529 9.2642 9.2642 11.6672 11.6672 11.8192 11.8192 11.9004 11.9004 12.6270 12.6270 12.9225 12.9225 k = 0.0154 0.0154 0.2626 ( 3234 PWs) bands (ev): 3.9095 3.9095 4.3212 4.3212 4.5990 4.5990 5.0608 5.0608 5.2562 5.2562 5.5077 5.5077 5.6300 5.6300 5.9342 5.9342 6.0018 6.0018 6.0531 6.0531 6.1429 6.1429 6.7185 6.7185 8.7485 8.7485 9.2613 9.2613 11.6710 11.6710 11.8205 11.8205 11.9023 11.9023 12.7205 12.7205 12.9233 12.9233 k = 0.0077 0.0077 0.2626 ( 3230 PWs) bands (ev): 3.9056 3.9056 4.3195 4.3195 4.5985 4.5985 5.0630 5.0630 5.2612 5.2612 5.5061 5.5061 5.6223 5.6223 5.9538 5.9538 5.9903 5.9903 6.0500 6.0500 6.1333 6.1333 6.7187 6.7187 8.7459 8.7459 9.2596 9.2596 11.6732 11.6732 11.8213 11.8213 11.9034 11.9034 12.7907 12.7907 12.9375 12.9375 k = 0.0000 0.0000 0.2626 ( 3228 PWs) bands (ev): 3.9043 3.9043 4.3188 4.3188 4.5983 4.5983 5.0638 5.0638 5.2630 5.2630 5.5055 5.5055 5.6198 5.6198 5.9730 5.9730 5.9731 5.9731 6.0501 6.0501 6.1298 6.1298 6.7188 6.7188 8.7450 8.7450 9.2590 9.2590 11.6740 11.6740 11.8216 11.8216 11.9038 11.9038 12.8168 12.8168 12.9674 12.9674 k = 0.0000 0.5000-0.0000 ( 3182 PWs) bands (ev): 4.3380 4.3380 4.3380 4.3380 4.7594 4.7594 4.7594 4.7594 5.4941 5.4941 5.4941 5.4941 5.9987 5.9987 5.9987 5.9987 6.5605 6.5605 6.5605 6.5605 7.7505 7.7505 7.7505 7.7505 9.2134 9.2134 9.2134 9.2134 11.3461 11.3461 11.3462 11.3462 11.4364 11.4364 11.4364 11.4364 11.9642 11.9642 k = 0.0000 0.5000 0.0109 ( 3180 PWs) bands (ev): 4.3383 4.3383 4.3383 4.3383 4.7596 4.7596 4.7596 4.7596 5.4948 5.4948 5.4948 5.4948 5.9986 5.9986 5.9986 5.9986 6.5603 6.5603 6.5603 6.5603 7.7495 7.7495 7.7495 7.7495 9.2150 9.2150 9.2150 9.2150 11.3384 11.3384 11.3384 11.3384 11.4361 11.4361 11.4361 11.4361 11.9683 11.9683 k = 0.0000 0.5000 0.0219 ( 3188 PWs) bands (ev): 4.3389 4.3389 4.3389 4.3389 4.7600 4.7600 4.7600 4.7600 5.4967 5.4967 5.4967 5.4967 5.9981 5.9981 5.9981 5.9981 6.5597 6.5597 6.5597 6.5597 7.7464 7.7464 7.7464 7.7464 9.2198 9.2198 9.2198 9.2198 11.3157 11.3157 11.3157 11.3157 11.4353 11.4353 11.4353 11.4353 11.9798 11.9798 k = 0.0000 0.5000 0.0328 ( 3188 PWs) bands (ev): 4.3401 4.3401 4.3401 4.3401 4.7606 4.7606 4.7606 4.7606 5.4999 5.4999 5.4999 5.4999 5.9974 5.9974 5.9974 5.9974 6.5587 6.5587 6.5587 6.5587 7.7413 7.7413 7.7413 7.7413 9.2277 9.2277 9.2277 9.2277 11.2804 11.2804 11.2804 11.2804 11.4340 11.4340 11.4340 11.4340 11.9969 11.9969 k = 0.0000 0.5000 0.0438 ( 3188 PWs) bands (ev): 4.3418 4.3418 4.3418 4.3418 4.7616 4.7616 4.7616 4.7616 5.5043 5.5043 5.5043 5.5043 5.9965 5.9965 5.9965 5.9965 6.5573 6.5573 6.5573 6.5573 7.7345 7.7345 7.7345 7.7345 9.2384 9.2384 9.2384 9.2384 11.2348 11.2348 11.2348 11.2348 11.4324 11.4324 11.4324 11.4324 12.0173 12.0173 k = 0.0000 0.5000 0.0547 ( 3192 PWs) bands (ev): 4.3438 4.3438 4.3438 4.3438 4.7627 4.7627 4.7627 4.7627 5.5098 5.5098 5.5098 5.5098 5.9953 5.9953 5.9953 5.9953 6.5556 6.5556 6.5556 6.5556 7.7261 7.7261 7.7261 7.7261 9.2517 9.2517 9.2517 9.2517 11.1817 11.1817 11.1817 11.1817 11.4303 11.4303 11.4303 11.4303 12.0390 12.0390 k = 0.0000 0.5000 0.0657 ( 3192 PWs) bands (ev): 4.3463 4.3463 4.3463 4.3463 4.7641 4.7641 4.7641 4.7641 5.5164 5.5164 5.5164 5.5164 5.9939 5.9939 5.9939 5.9939 6.5537 6.5537 6.5537 6.5537 7.7163 7.7163 7.7163 7.7163 9.2672 9.2672 9.2672 9.2672 11.1230 11.1230 11.1230 11.1230 11.4279 11.4279 11.4279 11.4279 12.0604 12.0604 k = 0.0000 0.5000 0.0766 ( 3190 PWs) bands (ev): 4.3491 4.3491 4.3491 4.3491 4.7657 4.7657 4.7657 4.7657 5.5239 5.5239 5.5239 5.5239 5.9924 5.9924 5.9924 5.9924 6.5514 6.5514 6.5514 6.5514 7.7055 7.7055 7.7055 7.7055 9.2846 9.2846 9.2846 9.2846 11.0607 11.0607 11.0607 11.0607 11.4252 11.4252 11.4252 11.4252 12.0805 12.0805 k = 0.0000 0.5000 0.0875 ( 3182 PWs) bands (ev): 4.3523 4.3523 4.3523 4.3523 4.7675 4.7675 4.7675 4.7675 5.5323 5.5323 5.5323 5.5323 5.9907 5.9907 5.9907 5.9907 6.5490 6.5490 6.5490 6.5490 7.6939 7.6939 7.6939 7.6939 9.3033 9.3033 9.3033 9.3033 10.9962 10.9962 10.9962 10.9962 11.4222 11.4222 11.4222 11.4222 12.0987 12.0987 k = 0.0000 0.5000 0.0985 ( 3182 PWs) bands (ev): 4.3557 4.3557 4.3557 4.3557 4.7695 4.7695 4.7695 4.7695 5.5414 5.5414 5.5414 5.5414 5.9888 5.9888 5.9888 5.9888 6.5463 6.5463 6.5463 6.5463 7.6818 7.6818 7.6818 7.6818 9.3231 9.3231 9.3231 9.3231 10.9309 10.9309 10.9309 10.9309 11.4191 11.4191 11.4191 11.4191 12.1145 12.1145 k = 0.0000 0.5000 0.1094 ( 3190 PWs) bands (ev): 4.3593 4.3593 4.3593 4.3593 4.7715 4.7715 4.7715 4.7715 5.5509 5.5509 5.5509 5.5509 5.9868 5.9868 5.9868 5.9868 6.5434 6.5434 6.5434 6.5434 7.6695 7.6695 7.6695 7.6695 9.3433 9.3433 9.3433 9.3433 10.8658 10.8658 10.8658 10.8658 11.4157 11.4157 11.4157 11.4157 12.1277 12.1277 k = 0.0000 0.5000 0.1204 ( 3180 PWs) bands (ev): 4.3631 4.3631 4.3631 4.3631 4.7736 4.7736 4.7736 4.7736 5.5610 5.5610 5.5610 5.5610 5.9849 5.9849 5.9849 5.9849 6.5405 6.5405 6.5405 6.5405 7.6572 7.6572 7.6572 7.6572 9.3637 9.3637 9.3637 9.3637 10.8019 10.8019 10.8019 10.8019 11.4123 11.4123 11.4123 11.4123 12.1385 12.1385 k = 0.0000 0.5000 0.1313 ( 3192 PWs) bands (ev): 4.3668 4.3668 4.3668 4.3668 4.7756 4.7756 4.7756 4.7756 5.5711 5.5711 5.5711 5.5711 5.9828 5.9828 5.9828 5.9828 6.5375 6.5375 6.5375 6.5375 7.6451 7.6451 7.6451 7.6451 9.3837 9.3837 9.3837 9.3837 10.7401 10.7401 10.7401 10.7401 11.4088 11.4088 11.4088 11.4088 12.1469 12.1469 k = 0.0000 0.5000 0.1422 ( 3198 PWs) bands (ev): 4.3707 4.3707 4.3707 4.3707 4.7777 4.7777 4.7777 4.7777 5.5812 5.5812 5.5812 5.5812 5.9807 5.9807 5.9807 5.9807 6.5345 6.5345 6.5345 6.5345 7.6335 7.6335 7.6335 7.6335 9.4028 9.4028 9.4028 9.4028 10.6811 10.6811 10.6811 10.6811 11.4054 11.4054 11.4054 11.4054 12.1532 12.1532 k = 0.0000 0.5000 0.1532 ( 3198 PWs) bands (ev): 4.3745 4.3745 4.3745 4.3745 4.7798 4.7798 4.7798 4.7798 5.5913 5.5913 5.5913 5.5913 5.9787 5.9787 5.9787 5.9787 6.5317 6.5317 6.5317 6.5317 7.6226 7.6226 7.6226 7.6226 9.4209 9.4209 9.4209 9.4209 10.6258 10.6258 10.6258 10.6258 11.4020 11.4020 11.4020 11.4020 12.1575 12.1575 k = 0.0000 0.5000 0.1641 ( 3198 PWs) bands (ev): 4.3782 4.3782 4.3782 4.3782 4.7819 4.7819 4.7819 4.7819 5.6009 5.6009 5.6009 5.6009 5.9768 5.9768 5.9768 5.9768 6.5289 6.5289 6.5289 6.5289 7.6124 7.6124 7.6124 7.6124 9.4374 9.4374 9.4374 9.4374 10.5746 10.5746 10.5746 10.5746 11.3988 11.3988 11.3988 11.3988 12.1601 12.1601 k = 0.0000 0.5000 0.1751 ( 3194 PWs) bands (ev): 4.3817 4.3817 4.3817 4.3817 4.7838 4.7838 4.7838 4.7838 5.6101 5.6101 5.6101 5.6101 5.9751 5.9751 5.9751 5.9751 6.5264 6.5264 6.5264 6.5264 7.6031 7.6031 7.6031 7.6031 9.4522 9.4522 9.4522 9.4522 10.5281 10.5281 10.5281 10.5281 11.3957 11.3957 11.3957 11.3957 12.1615 12.1615 k = 0.0000 0.5000 0.1860 ( 3202 PWs) bands (ev): 4.3850 4.3850 4.3850 4.3850 4.7856 4.7856 4.7856 4.7856 5.6186 5.6186 5.6186 5.6186 5.9734 5.9734 5.9734 5.9734 6.5239 6.5239 6.5239 6.5239 7.5948 7.5948 7.5948 7.5948 9.4650 9.4650 9.4650 9.4650 10.4867 10.4867 10.4867 10.4867 11.3929 11.3929 11.3929 11.3929 12.1618 12.1618 k = 0.0000 0.5000 0.1970 ( 3200 PWs) bands (ev): 4.3880 4.3880 4.3880 4.3880 4.7873 4.7873 4.7873 4.7873 5.6263 5.6263 5.6263 5.6263 5.9720 5.9720 5.9720 5.9720 6.5217 6.5217 6.5217 6.5217 7.5875 7.5875 7.5875 7.5875 9.4758 9.4758 9.4758 9.4758 10.4507 10.4507 10.4507 10.4507 11.3904 11.3904 11.3904 11.3904 12.1614 12.1614 k = 0.0000 0.5000 0.2079 ( 3196 PWs) bands (ev): 4.3907 4.3907 4.3907 4.3907 4.7888 4.7888 4.7888 4.7888 5.6330 5.6330 5.6330 5.6330 5.9708 5.9708 5.9708 5.9708 6.5198 6.5198 6.5198 6.5198 7.5813 7.5813 7.5813 7.5813 9.4846 9.4846 9.4846 9.4846 10.4203 10.4203 10.4203 10.4203 11.3882 11.3882 11.3882 11.3882 12.1605 12.1605 k = 0.0000 0.5000 0.2188 ( 3192 PWs) bands (ev): 4.3929 4.3929 4.3929 4.3929 4.7900 4.7900 4.7900 4.7900 5.6387 5.6387 5.6387 5.6387 5.9698 5.9698 5.9698 5.9698 6.5183 6.5183 6.5183 6.5183 7.5763 7.5763 7.5763 7.5763 9.4914 9.4914 9.4914 9.4914 10.3956 10.3956 10.3956 10.3956 11.3863 11.3863 11.3863 11.3863 12.1594 12.1594 k = 0.0000 0.5000 0.2298 ( 3184 PWs) bands (ev): 4.3948 4.3948 4.3948 4.3948 4.7911 4.7911 4.7911 4.7911 5.6432 5.6432 5.6432 5.6432 5.9691 5.9691 5.9691 5.9691 6.5171 6.5171 6.5171 6.5171 7.5724 7.5724 7.5724 7.5724 9.4965 9.4965 9.4965 9.4965 10.3765 10.3765 10.3765 10.3765 11.3849 11.3849 11.3849 11.3849 12.1583 12.1583 k = 0.0000 0.5000 0.2407 ( 3184 PWs) bands (ev): 4.3960 4.3960 4.3960 4.3960 4.7918 4.7918 4.7918 4.7918 5.6464 5.6464 5.6464 5.6464 5.9685 5.9685 5.9685 5.9685 6.5162 6.5162 6.5162 6.5162 7.5695 7.5695 7.5695 7.5695 9.4999 9.4999 9.4999 9.4999 10.3629 10.3629 10.3629 10.3629 11.3838 11.3838 11.3838 11.3838 12.1574 12.1574 k = 0.0000 0.5000 0.2517 ( 3184 PWs) bands (ev): 4.3968 4.3968 4.3968 4.3968 4.7922 4.7922 4.7922 4.7922 5.6484 5.6484 5.6484 5.6484 5.9682 5.9682 5.9682 5.9682 6.5156 6.5156 6.5156 6.5156 7.5678 7.5678 7.5678 7.5678 9.5018 9.5018 9.5018 9.5018 10.3549 10.3549 10.3549 10.3549 11.3832 11.3832 11.3832 11.3832 12.1569 12.1569 k = 0.0000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.3971 4.3971 4.3971 4.3971 4.7924 4.7924 4.7924 4.7924 5.6491 5.6491 5.6491 5.6491 5.9681 5.9681 5.9681 5.9681 6.5154 6.5154 6.5154 6.5154 7.5673 7.5673 7.5673 7.5673 9.5025 9.5025 9.5025 9.5025 10.3522 10.3522 10.3522 10.3522 11.3829 11.3829 11.3829 11.3829 12.1566 12.1566 k = 0.5000 0.5000-0.0000 ( 3180 PWs) bands (ev): 4.4917 4.4917 4.4917 4.4917 4.9261 4.9261 4.9261 4.9261 5.5688 5.5688 5.5688 5.5688 5.9371 5.9371 5.9371 5.9371 6.4328 6.4328 6.4328 6.4328 8.5446 8.5446 8.5446 8.5446 8.8842 8.8842 8.8842 8.8842 11.2020 11.2020 11.2020 11.2020 12.6739 12.6739 12.6739 12.6739 13.2173 13.2173 k = 0.5000 0.5000 0.0109 ( 3188 PWs) bands (ev): 4.4922 4.4922 4.4922 4.4922 4.9260 4.9260 4.9260 4.9260 5.5688 5.5688 5.5688 5.5688 5.9372 5.9372 5.9372 5.9372 6.4327 6.4327 6.4327 6.4327 8.5437 8.5437 8.5437 8.5437 8.8854 8.8854 8.8854 8.8854 11.1940 11.1940 11.1940 11.1940 12.6831 12.6831 12.6831 12.6831 13.2122 13.2122 k = 0.5000 0.5000 0.0219 ( 3184 PWs) bands (ev): 4.4939 4.4939 4.4939 4.4939 4.9260 4.9260 4.9260 4.9260 5.5692 5.5692 5.5692 5.5692 5.9376 5.9376 5.9376 5.9376 6.4327 6.4327 6.4327 6.4327 8.5411 8.5411 8.5411 8.5411 8.8887 8.8887 8.8887 8.8887 11.1706 11.1706 11.1706 11.1706 12.7102 12.7102 12.7102 12.7102 13.1972 13.1972 k = 0.5000 0.5000 0.0328 ( 3168 PWs) bands (ev): 4.4966 4.4966 4.4966 4.4966 4.9260 4.9260 4.9260 4.9260 5.5699 5.5699 5.5699 5.5699 5.9384 5.9384 5.9384 5.9384 6.4327 6.4327 6.4327 6.4327 8.5369 8.5369 8.5369 8.5369 8.8944 8.8944 8.8944 8.8944 11.1334 11.1334 11.1334 11.1334 12.7534 12.7534 12.7534 12.7534 13.1731 13.1731 k = 0.5000 0.5000 0.0438 ( 3168 PWs) bands (ev): 4.5003 4.5003 4.5003 4.5003 4.9259 4.9259 4.9259 4.9259 5.5706 5.5706 5.5706 5.5706 5.9393 5.9393 5.9393 5.9393 6.4326 6.4326 6.4326 6.4326 8.5311 8.5311 8.5311 8.5311 8.9022 8.9022 8.9022 8.9022 11.0847 11.0847 11.0847 11.0847 12.8103 12.8103 12.8103 12.8103 13.1409 13.1409 k = 0.5000 0.5000 0.0547 ( 3180 PWs) bands (ev): 4.5049 4.5049 4.5049 4.5049 4.9256 4.9256 4.9256 4.9256 5.5714 5.5714 5.5714 5.5714 5.9405 5.9405 5.9405 5.9405 6.4324 6.4324 6.4324 6.4324 8.5237 8.5237 8.5237 8.5237 8.9123 8.9123 8.9123 8.9123 11.0269 11.0269 11.0269 11.0269 12.8784 12.8784 12.8784 12.8784 13.1023 13.1023 k = 0.5000 0.5000 0.0657 ( 3180 PWs) bands (ev): 4.5105 4.5105 4.5105 4.5105 4.9254 4.9254 4.9254 4.9254 5.5724 5.5724 5.5724 5.5724 5.9419 5.9419 5.9419 5.9419 6.4323 6.4323 6.4323 6.4323 8.5149 8.5149 8.5149 8.5149 8.9247 8.9247 8.9247 8.9247 10.9622 10.9622 10.9622 10.9622 12.9543 12.9543 12.9543 12.9543 13.0595 13.0595 k = 0.5000 0.5000 0.0766 ( 3180 PWs) bands (ev): 4.5168 4.5168 4.5168 4.5168 4.9251 4.9251 4.9251 4.9251 5.5736 5.5736 5.5736 5.5736 5.9436 5.9436 5.9436 5.9436 6.4321 6.4321 6.4321 6.4321 8.5047 8.5047 8.5047 8.5047 8.9393 8.9393 8.9393 8.9393 10.8924 10.8924 10.8924 10.8924 12.9997 12.9997 12.9997 12.9997 13.0503 13.0503 k = 0.5000 0.5000 0.0875 ( 3180 PWs) bands (ev): 4.5239 4.5239 4.5239 4.5239 4.9248 4.9248 4.9248 4.9248 5.5749 5.5749 5.5749 5.5749 5.9455 5.9455 5.9455 5.9455 6.4319 6.4319 6.4319 6.4319 8.4934 8.4934 8.4934 8.4934 8.9562 8.9562 8.9562 8.9562 10.8191 10.8191 10.8191 10.8191 12.9546 12.9546 12.9546 12.9546 13.1344 13.1344 k = 0.5000 0.5000 0.0985 ( 3172 PWs) bands (ev): 4.5316 4.5316 4.5316 4.5316 4.9246 4.9246 4.9246 4.9246 5.5764 5.5764 5.5764 5.5764 5.9477 5.9477 5.9477 5.9477 6.4317 6.4317 6.4317 6.4317 8.4811 8.4811 8.4811 8.4811 8.9753 8.9753 8.9753 8.9753 10.7437 10.7437 10.7437 10.7437 12.9030 12.9030 12.9030 12.9030 13.2275 13.2275 k = 0.5000 0.5000 0.1094 ( 3172 PWs) bands (ev): 4.5397 4.5397 4.5397 4.5397 4.9243 4.9243 4.9243 4.9243 5.5779 5.5779 5.5779 5.5779 5.9500 5.9500 5.9500 5.9500 6.4314 6.4314 6.4314 6.4314 8.4679 8.4679 8.4679 8.4679 8.9966 8.9966 8.9966 8.9966 10.6669 10.6669 10.6669 10.6669 12.8505 12.8505 12.8505 12.8505 13.3238 13.3238 k = 0.5000 0.5000 0.1204 ( 3172 PWs) bands (ev): 4.5482 4.5482 4.5482 4.5482 4.9239 4.9239 4.9239 4.9239 5.5794 5.5794 5.5794 5.5794 5.9523 5.9523 5.9523 5.9523 6.4311 6.4311 6.4311 6.4311 8.4542 8.4542 8.4542 8.4542 9.0200 9.0200 9.0200 9.0200 10.5897 10.5897 10.5897 10.5897 12.7986 12.7986 12.7986 12.7986 13.4217 13.4217 k = 0.5000 0.5000 0.1313 ( 3188 PWs) bands (ev): 4.5567 4.5567 4.5567 4.5567 4.9235 4.9235 4.9235 4.9235 5.5808 5.5808 5.5808 5.5808 5.9547 5.9547 5.9547 5.9547 6.4308 6.4308 6.4308 6.4308 8.4400 8.4400 8.4400 8.4400 9.0456 9.0456 9.0456 9.0456 10.5127 10.5127 10.5127 10.5127 12.7480 12.7480 12.7480 12.7480 13.5202 13.5202 k = 0.5000 0.5000 0.1422 ( 3188 PWs) bands (ev): 4.5654 4.5654 4.5654 4.5654 4.9232 4.9232 4.9232 4.9232 5.5824 5.5824 5.5824 5.5824 5.9572 5.9572 5.9572 5.9572 6.4305 6.4305 6.4305 6.4305 8.4256 8.4256 8.4256 8.4256 9.0732 9.0732 9.0732 9.0732 10.4365 10.4365 10.4365 10.4365 12.6996 12.6996 12.6996 12.6996 13.6182 13.6182 k = 0.5000 0.5000 0.1532 ( 3196 PWs) bands (ev): 4.5740 4.5740 4.5740 4.5740 4.9228 4.9228 4.9228 4.9228 5.5839 5.5839 5.5839 5.5839 5.9596 5.9596 5.9596 5.9596 6.4302 6.4302 6.4302 6.4302 8.4113 8.4113 8.4113 8.4113 9.1028 9.1028 9.1028 9.1028 10.3615 10.3615 10.3615 10.3615 12.6539 12.6539 12.6539 12.6539 13.7146 13.7146 k = 0.5000 0.5000 0.1641 ( 3188 PWs) bands (ev): 4.5824 4.5824 4.5824 4.5824 4.9226 4.9226 4.9226 4.9226 5.5854 5.5854 5.5854 5.5854 5.9622 5.9622 5.9622 5.9622 6.4300 6.4300 6.4300 6.4300 8.3974 8.3974 8.3974 8.3974 9.1342 9.1342 9.1342 9.1342 10.2884 10.2884 10.2884 10.2884 12.6115 12.6115 12.6115 12.6115 13.8084 13.8084 k = 0.5000 0.5000 0.1751 ( 3176 PWs) bands (ev): 4.5904 4.5904 4.5904 4.5904 4.9225 4.9225 4.9225 4.9225 5.5869 5.5869 5.5869 5.5869 5.9648 5.9648 5.9648 5.9648 6.4297 6.4297 6.4297 6.4297 8.3841 8.3841 8.3841 8.3841 9.1671 9.1671 9.1671 9.1671 10.2174 10.2174 10.2174 10.2174 12.5726 12.5726 12.5726 12.5726 13.8983 13.8983 k = 0.5000 0.5000 0.1860 ( 3176 PWs) bands (ev): 4.5978 4.5978 4.5978 4.5978 4.9222 4.9222 4.9222 4.9222 5.5881 5.5881 5.5881 5.5881 5.9671 5.9671 5.9671 5.9671 6.4294 6.4294 6.4294 6.4294 8.3716 8.3716 8.3716 8.3716 9.2013 9.2013 9.2013 9.2013 10.1493 10.1493 10.1493 10.1493 12.5377 12.5377 12.5377 12.5377 13.9831 13.9831 k = 0.5000 0.5000 0.1970 ( 3176 PWs) bands (ev): 4.6045 4.6045 4.6045 4.6045 4.9220 4.9220 4.9220 4.9220 5.5893 5.5893 5.5893 5.5893 5.9692 5.9692 5.9692 5.9692 6.4292 6.4292 6.4292 6.4292 8.3602 8.3602 8.3602 8.3602 9.2362 9.2362 9.2362 9.2362 10.0846 10.0846 10.0846 10.0846 12.5069 12.5069 12.5069 12.5069 14.0614 14.0614 k = 0.5000 0.5000 0.2079 ( 3184 PWs) bands (ev): 4.6103 4.6103 4.6103 4.6103 4.9217 4.9217 4.9217 4.9217 5.5902 5.5902 5.5902 5.5902 5.9711 5.9711 5.9711 5.9711 6.4288 6.4288 6.4288 6.4288 8.3502 8.3502 8.3502 8.3502 9.2712 9.2712 9.2712 9.2712 10.0242 10.0242 10.0242 10.0242 12.4806 12.4806 12.4806 12.4806 14.1316 14.1316 k = 0.5000 0.5000 0.2188 ( 3172 PWs) bands (ev): 4.6154 4.6154 4.6154 4.6154 4.9216 4.9216 4.9216 4.9216 5.5913 5.5913 5.5913 5.5913 5.9729 5.9729 5.9729 5.9729 6.4286 6.4286 6.4286 6.4286 8.3416 8.3416 8.3416 8.3416 9.3051 9.3051 9.3051 9.3051 9.9693 9.9693 9.9693 9.9693 12.4589 12.4589 12.4589 12.4589 14.1922 14.1922 k = 0.5000 0.5000 0.2298 ( 3188 PWs) bands (ev): 4.6193 4.6193 4.6193 4.6193 4.9213 4.9213 4.9213 4.9213 5.5919 5.5919 5.5919 5.5919 5.9741 5.9741 5.9741 5.9741 6.4283 6.4283 6.4283 6.4283 8.3348 8.3348 8.3348 8.3348 9.3362 9.3362 9.3362 9.3362 9.9218 9.9218 9.9218 9.9218 12.4418 12.4418 12.4418 12.4418 14.2414 14.2414 k = 0.5000 0.5000 0.2407 ( 3184 PWs) bands (ev): 4.6223 4.6223 4.6223 4.6223 4.9212 4.9212 4.9212 4.9212 5.5924 5.5924 5.5924 5.5924 5.9752 5.9752 5.9752 5.9752 6.4282 6.4282 6.4282 6.4282 8.3298 8.3298 8.3298 8.3298 9.3621 9.3621 9.3621 9.3621 9.8841 9.8841 9.8841 9.8841 12.4296 12.4296 12.4296 12.4296 14.2778 14.2778 k = 0.5000 0.5000 0.2517 ( 3184 PWs) bands (ev): 4.6240 4.6240 4.6240 4.6240 4.9212 4.9212 4.9212 4.9212 5.5927 5.5927 5.5927 5.5927 5.9758 5.9758 5.9758 5.9758 6.4281 6.4281 6.4281 6.4281 8.3267 8.3267 8.3267 8.3267 9.3797 9.3797 9.3797 9.3797 9.8595 9.8595 9.8595 9.8595 12.4222 12.4222 12.4222 12.4222 14.3003 14.3003 k = 0.5000 0.5000 0.2626 ( 3184 PWs) bands (ev): 4.6246 4.6246 4.6246 4.6246 4.9212 4.9212 4.9212 4.9212 5.5928 5.5928 5.5928 5.5928 5.9760 5.9760 5.9760 5.9760 6.4281 6.4281 6.4281 6.4281 8.3257 8.3257 8.3257 8.3257 9.3860 9.3860 9.3860 9.3860 9.8508 9.8508 9.8508 9.8508 12.4198 12.4198 12.4198 12.4198 14.3078 14.3078 Writing output data file ZrAg.save init_run : 0.10s CPU 0.20s WALL ( 1 calls) electrons : 134.79s CPU 137.40s 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 : 134.79s CPU 137.40s 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 : 0.04s CPU 0.04s WALL ( 395 calls) cegterg : 123.71s CPU 125.73s WALL ( 806 calls) Called by sum_band: Called by *egterg: h_psi : 61.69s CPU 63.13s WALL ( 13681 calls) s_psi : 3.08s CPU 3.03s WALL ( 13681 calls) g_psi : 0.18s CPU 0.21s WALL ( 12480 calls) cdiaghg : 55.33s CPU 56.60s WALL ( 12875 calls) cegterg:over : 4.48s CPU 4.47s WALL ( 12480 calls) cegterg:upda : 3.44s CPU 3.39s WALL ( 12480 calls) cegterg:last : 2.16s CPU 2.03s WALL ( 1937 calls) cdiaghg:chol : 2.87s CPU 2.97s WALL ( 12875 calls) cdiaghg:inve : 1.69s CPU 1.49s WALL ( 12875 calls) cdiaghg:para : 3.17s CPU 3.31s WALL ( 25750 calls) Called by h_psi: h_psi:vloc : 53.66s CPU 54.74s WALL ( 13681 calls) h_psi:vnl : 7.85s CPU 8.22s WALL ( 13681 calls) add_vuspsi : 4.07s CPU 4.18s WALL ( 13681 calls) General routines calbec : 3.71s CPU 4.00s WALL ( 13681 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 51.24s CPU 52.16s WALL ( 912104 calls) davcio : 0.18s CPU 0.17s WALL ( 790 calls) Parallel routines fft_scatter : 21.94s CPU 22.52s WALL ( 912119 calls) PWSCF : 2m27.04s CPU 2m40.63s WALL This run was terminated on: 18:29: 6 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=