Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:41 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: ./NaBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 25 7 1775 783 129 Max 45 26 8 1778 805 132 Sum 1565 901 277 63921 28627 4677 bravais-lattice index = 14 lattice parameter (alat) = 6.5347 a.u. unit-cell volume = 387.3359 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.534672 celldm(2)= 1.000000 celldm(3)= 1.388086 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 1.388086 ) 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 0.720417 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 15.00 208.98040 Bi( 1.00) Na 9.00 22.98980 Na( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0023697 k( 13) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0023697 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0023697 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0023697 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0023697 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0023697 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0023697 k( 20) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0023697 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0023697 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0023697 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0023697 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0023697 k( 25) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0023697 k( 26) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0023697 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0023697 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0023697 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0023697 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0023697 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0023697 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0023697 k( 33) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0023697 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0023697 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0023697 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0023697 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0023697 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0023697 k( 39) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0023697 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0023697 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0023697 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0023697 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0023697 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0023697 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0023697 k( 46) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0023697 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0023697 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0023697 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0023697 k( 52) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0023697 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0023697 k( 54) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0023697 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0023697 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0023697 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0023697 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0023697 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0023697 k( 60) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0023697 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0023697 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0023697 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0023697 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0023697 k( 65) = ( 0.1847826 0.5000000 -0.0000000), wk = 0.0023697 k( 66) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0023697 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0023697 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0023697 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0023697 k( 70) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0023697 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0023697 k( 72) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0023697 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0023697 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0023697 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0023697 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0023697 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0023697 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0023697 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0023697 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0023697 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0023697 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0023697 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0023697 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0023697 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0023697 k( 86) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0023697 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0023697 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0023697 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0023697 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0023697 k( 91) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0023697 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0023697 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0023697 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023697 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023697 k( 96) = ( 0.4923077 0.4923077 -0.0000000), wk = 0.0023697 k( 97) = ( 0.4846154 0.4846154 -0.0000000), wk = 0.0023697 k( 98) = ( 0.4769231 0.4769231 -0.0000000), wk = 0.0023697 k( 99) = ( 0.4692308 0.4692308 -0.0000000), wk = 0.0023697 k( 100) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0023697 k( 101) = ( 0.4538462 0.4538461 -0.0000000), wk = 0.0023697 k( 102) = ( 0.4461539 0.4461538 -0.0000000), wk = 0.0023697 k( 103) = ( 0.4384615 0.4384615 -0.0000000), wk = 0.0023697 k( 104) = ( 0.4307692 0.4307692 -0.0000000), wk = 0.0023697 k( 105) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0023697 k( 106) = ( 0.4153846 0.4153846 -0.0000000), wk = 0.0023697 k( 107) = ( 0.4076923 0.4076923 -0.0000000), wk = 0.0023697 k( 108) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0023697 k( 109) = ( 0.3923077 0.3923077 -0.0000000), wk = 0.0023697 k( 110) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0023697 k( 111) = ( 0.3769231 0.3769231 -0.0000000), wk = 0.0023697 k( 112) = ( 0.3692308 0.3692308 -0.0000000), wk = 0.0023697 k( 113) = ( 0.3615385 0.3615385 -0.0000000), wk = 0.0023697 k( 114) = ( 0.3538462 0.3538461 -0.0000000), wk = 0.0023697 k( 115) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0023697 k( 116) = ( 0.3384615 0.3384615 -0.0000000), wk = 0.0023697 k( 117) = ( 0.3307692 0.3307692 -0.0000000), wk = 0.0023697 k( 118) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0023697 k( 119) = ( 0.3153846 0.3153846 -0.0000000), wk = 0.0023697 k( 120) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0023697 k( 121) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0023697 k( 122) = ( 0.2923077 0.2923077 -0.0000000), wk = 0.0023697 k( 123) = ( 0.2846154 0.2846154 -0.0000000), wk = 0.0023697 k( 124) = ( 0.2769231 0.2769231 -0.0000000), wk = 0.0023697 k( 125) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0023697 k( 126) = ( 0.2615385 0.2615385 -0.0000000), wk = 0.0023697 k( 127) = ( 0.2538461 0.2538461 -0.0000000), wk = 0.0023697 k( 128) = ( 0.2461539 0.2461538 -0.0000000), wk = 0.0023697 k( 129) = ( 0.2384615 0.2384615 -0.0000000), wk = 0.0023697 k( 130) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0023697 k( 131) = ( 0.2230769 0.2230769 -0.0000000), wk = 0.0023697 k( 132) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0023697 k( 133) = ( 0.2076923 0.2076923 -0.0000000), wk = 0.0023697 k( 134) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0023697 k( 135) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0023697 k( 136) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0023697 k( 137) = ( 0.1769231 0.1769231 -0.0000000), wk = 0.0023697 k( 138) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0023697 k( 139) = ( 0.1615385 0.1615385 -0.0000000), wk = 0.0023697 k( 140) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0023697 k( 141) = ( 0.1461539 0.1461538 -0.0000000), wk = 0.0023697 k( 142) = ( 0.1384615 0.1384615 -0.0000000), wk = 0.0023697 k( 143) = ( 0.1307692 0.1307692 -0.0000000), wk = 0.0023697 k( 144) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0023697 k( 145) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0023697 k( 146) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0023697 k( 147) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0023697 k( 148) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0023697 k( 149) = ( 0.0846154 0.0846154 -0.0000000), wk = 0.0023697 k( 150) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0023697 k( 151) = ( 0.0692308 0.0692308 -0.0000000), wk = 0.0023697 k( 152) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0023697 k( 153) = ( 0.0538462 0.0538461 -0.0000000), wk = 0.0023697 k( 154) = ( 0.0461539 0.0461538 -0.0000000), wk = 0.0023697 k( 155) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0023697 k( 156) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0023697 k( 157) = ( 0.0230769 0.0230769 -0.0000000), wk = 0.0023697 k( 158) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0023697 k( 159) = ( 0.0076923 0.0076923 -0.0000000), wk = 0.0023697 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 162) = ( 0.0000000 0.0000000 0.0109154), wk = 0.0023697 k( 163) = ( 0.0000000 0.0000000 0.0218308), wk = 0.0023697 k( 164) = ( 0.0000000 0.0000000 0.0327462), wk = 0.0023697 k( 165) = ( 0.0000000 0.0000000 0.0436616), wk = 0.0023697 k( 166) = ( 0.0000000 0.0000000 0.0545770), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.0654924), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.0764078), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.0873232), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.0982386), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.1091540), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.1200694), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.1309848), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.1419003), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.1528157), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.1637311), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.1746465), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.1855619), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.1964773), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.2073927), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.2183081), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.2292235), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.2401389), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.2510543), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.2619697), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.2728851), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.2838005), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.2947159), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.3056313), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.3165467), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.3274621), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.3383775), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.3492929), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.3602083), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.3602083), wk = 0.0023697 k( 196) = ( 0.0000000 0.0108696 0.3602083), wk = 0.0023697 k( 197) = ( 0.0000000 0.0217391 0.3602083), wk = 0.0023697 k( 198) = ( 0.0000000 0.0326087 0.3602083), wk = 0.0023697 k( 199) = ( 0.0000000 0.0434783 0.3602083), wk = 0.0023697 k( 200) = ( 0.0000000 0.0543478 0.3602083), wk = 0.0023697 k( 201) = ( 0.0000000 0.0652174 0.3602083), wk = 0.0023697 k( 202) = ( 0.0000000 0.0760870 0.3602083), wk = 0.0023697 k( 203) = ( 0.0000000 0.0869565 0.3602083), wk = 0.0023697 k( 204) = ( 0.0000000 0.0978261 0.3602083), wk = 0.0023697 k( 205) = ( 0.0000000 0.1086957 0.3602083), wk = 0.0023697 k( 206) = ( 0.0000000 0.1195652 0.3602083), wk = 0.0023697 k( 207) = ( 0.0000000 0.1304348 0.3602083), wk = 0.0023697 k( 208) = ( 0.0000000 0.1413043 0.3602083), wk = 0.0023697 k( 209) = ( 0.0000000 0.1521739 0.3602083), wk = 0.0023697 k( 210) = ( 0.0000000 0.1630435 0.3602083), wk = 0.0023697 k( 211) = ( 0.0000000 0.1739130 0.3602083), wk = 0.0023697 k( 212) = ( 0.0000000 0.1847826 0.3602083), wk = 0.0023697 k( 213) = ( 0.0000000 0.1956522 0.3602083), wk = 0.0023697 k( 214) = ( 0.0000000 0.2065217 0.3602083), wk = 0.0023697 k( 215) = ( 0.0000000 0.2173913 0.3602083), wk = 0.0023697 k( 216) = ( 0.0000000 0.2282609 0.3602083), wk = 0.0023697 k( 217) = ( 0.0000000 0.2391304 0.3602083), wk = 0.0023697 k( 218) = ( 0.0000000 0.2500000 0.3602083), wk = 0.0023697 k( 219) = ( 0.0000000 0.2608696 0.3602083), wk = 0.0023697 k( 220) = ( 0.0000000 0.2717391 0.3602083), wk = 0.0023697 k( 221) = ( 0.0000000 0.2826087 0.3602083), wk = 0.0023697 k( 222) = ( 0.0000000 0.2934783 0.3602083), wk = 0.0023697 k( 223) = ( 0.0000000 0.3043478 0.3602083), wk = 0.0023697 k( 224) = ( 0.0000000 0.3152174 0.3602083), wk = 0.0023697 k( 225) = ( 0.0000000 0.3260870 0.3602083), wk = 0.0023697 k( 226) = ( 0.0000000 0.3369565 0.3602083), wk = 0.0023697 k( 227) = ( 0.0000000 0.3478261 0.3602083), wk = 0.0023697 k( 228) = ( 0.0000000 0.3586956 0.3602083), wk = 0.0023697 k( 229) = ( 0.0000000 0.3695652 0.3602083), wk = 0.0023697 k( 230) = ( 0.0000000 0.3804348 0.3602083), wk = 0.0023697 k( 231) = ( 0.0000000 0.3913044 0.3602083), wk = 0.0023697 k( 232) = ( 0.0000000 0.4021739 0.3602083), wk = 0.0023697 k( 233) = ( 0.0000000 0.4130435 0.3602083), wk = 0.0023697 k( 234) = ( 0.0000000 0.4239130 0.3602083), wk = 0.0023697 k( 235) = ( 0.0000000 0.4347826 0.3602083), wk = 0.0023697 k( 236) = ( 0.0000000 0.4456522 0.3602083), wk = 0.0023697 k( 237) = ( 0.0000000 0.4565217 0.3602083), wk = 0.0023697 k( 238) = ( 0.0000000 0.4673913 0.3602083), wk = 0.0023697 k( 239) = ( 0.0000000 0.4782609 0.3602083), wk = 0.0023697 k( 240) = ( 0.0000000 0.4891304 0.3602083), wk = 0.0023697 k( 241) = ( 0.0000000 0.5000000 0.3602083), wk = 0.0023697 k( 242) = ( 0.0000000 0.5000000 0.3602083), wk = 0.0023697 k( 243) = ( 0.0108696 0.5000000 0.3602083), wk = 0.0023697 k( 244) = ( 0.0217391 0.5000000 0.3602083), wk = 0.0023697 k( 245) = ( 0.0326087 0.5000000 0.3602083), wk = 0.0023697 k( 246) = ( 0.0434783 0.5000000 0.3602083), wk = 0.0023697 k( 247) = ( 0.0543478 0.5000000 0.3602083), wk = 0.0023697 k( 248) = ( 0.0652174 0.5000000 0.3602083), wk = 0.0023697 k( 249) = ( 0.0760870 0.5000000 0.3602083), wk = 0.0023697 k( 250) = ( 0.0869565 0.5000000 0.3602083), wk = 0.0023697 k( 251) = ( 0.0978261 0.5000000 0.3602083), wk = 0.0023697 k( 252) = ( 0.1086957 0.5000000 0.3602083), wk = 0.0023697 k( 253) = ( 0.1195652 0.5000000 0.3602083), wk = 0.0023697 k( 254) = ( 0.1304348 0.5000000 0.3602083), wk = 0.0023697 k( 255) = ( 0.1413043 0.5000000 0.3602083), wk = 0.0023697 k( 256) = ( 0.1521739 0.5000000 0.3602083), wk = 0.0023697 k( 257) = ( 0.1630435 0.5000000 0.3602083), wk = 0.0023697 k( 258) = ( 0.1739130 0.5000000 0.3602083), wk = 0.0023697 k( 259) = ( 0.1847826 0.5000000 0.3602083), wk = 0.0023697 k( 260) = ( 0.1956522 0.5000000 0.3602083), wk = 0.0023697 k( 261) = ( 0.2065217 0.5000000 0.3602083), wk = 0.0023697 k( 262) = ( 0.2173913 0.5000000 0.3602083), wk = 0.0023697 k( 263) = ( 0.2282609 0.5000000 0.3602083), wk = 0.0023697 k( 264) = ( 0.2391304 0.5000000 0.3602083), wk = 0.0023697 k( 265) = ( 0.2500000 0.5000000 0.3602083), wk = 0.0023697 k( 266) = ( 0.2608696 0.5000000 0.3602083), wk = 0.0023697 k( 267) = ( 0.2717391 0.5000000 0.3602083), wk = 0.0023697 k( 268) = ( 0.2826087 0.5000000 0.3602083), wk = 0.0023697 k( 269) = ( 0.2934783 0.5000000 0.3602083), wk = 0.0023697 k( 270) = ( 0.3043478 0.5000000 0.3602083), wk = 0.0023697 k( 271) = ( 0.3152174 0.5000000 0.3602083), wk = 0.0023697 k( 272) = ( 0.3260870 0.5000000 0.3602083), wk = 0.0023697 k( 273) = ( 0.3369565 0.5000000 0.3602083), wk = 0.0023697 k( 274) = ( 0.3478261 0.5000000 0.3602083), wk = 0.0023697 k( 275) = ( 0.3586956 0.5000000 0.3602083), wk = 0.0023697 k( 276) = ( 0.3695652 0.5000000 0.3602083), wk = 0.0023697 k( 277) = ( 0.3804348 0.5000000 0.3602083), wk = 0.0023697 k( 278) = ( 0.3913044 0.5000000 0.3602083), wk = 0.0023697 k( 279) = ( 0.4021739 0.5000000 0.3602083), wk = 0.0023697 k( 280) = ( 0.4130435 0.5000000 0.3602083), wk = 0.0023697 k( 281) = ( 0.4239130 0.5000000 0.3602083), wk = 0.0023697 k( 282) = ( 0.4347826 0.5000000 0.3602083), wk = 0.0023697 k( 283) = ( 0.4456522 0.5000000 0.3602083), wk = 0.0023697 k( 284) = ( 0.4565217 0.5000000 0.3602083), wk = 0.0023697 k( 285) = ( 0.4673913 0.5000000 0.3602083), wk = 0.0023697 k( 286) = ( 0.4782609 0.5000000 0.3602083), wk = 0.0023697 k( 287) = ( 0.4891304 0.5000000 0.3602083), wk = 0.0023697 k( 288) = ( 0.5000000 0.5000000 0.3602083), wk = 0.0023697 k( 289) = ( 0.5000000 0.5000000 0.3602083), wk = 0.0023697 k( 290) = ( 0.4923077 0.4923077 0.3602083), wk = 0.0023697 k( 291) = ( 0.4846154 0.4846154 0.3602083), wk = 0.0023697 k( 292) = ( 0.4769231 0.4769231 0.3602083), wk = 0.0023697 k( 293) = ( 0.4692308 0.4692308 0.3602083), wk = 0.0023697 k( 294) = ( 0.4615385 0.4615385 0.3602083), wk = 0.0023697 k( 295) = ( 0.4538462 0.4538461 0.3602083), wk = 0.0023697 k( 296) = ( 0.4461539 0.4461538 0.3602083), wk = 0.0023697 k( 297) = ( 0.4384615 0.4384615 0.3602083), wk = 0.0023697 k( 298) = ( 0.4307692 0.4307692 0.3602083), wk = 0.0023697 k( 299) = ( 0.4230769 0.4230769 0.3602083), wk = 0.0023697 k( 300) = ( 0.4153846 0.4153846 0.3602083), wk = 0.0023697 k( 301) = ( 0.4076923 0.4076923 0.3602083), wk = 0.0023697 k( 302) = ( 0.4000000 0.4000000 0.3602083), wk = 0.0023697 k( 303) = ( 0.3923077 0.3923077 0.3602083), wk = 0.0023697 k( 304) = ( 0.3846154 0.3846154 0.3602083), wk = 0.0023697 k( 305) = ( 0.3769231 0.3769231 0.3602083), wk = 0.0023697 k( 306) = ( 0.3692308 0.3692308 0.3602083), wk = 0.0023697 k( 307) = ( 0.3615385 0.3615385 0.3602083), wk = 0.0023697 k( 308) = ( 0.3538462 0.3538461 0.3602083), wk = 0.0023697 k( 309) = ( 0.3461538 0.3461538 0.3602083), wk = 0.0023697 k( 310) = ( 0.3384615 0.3384615 0.3602083), wk = 0.0023697 k( 311) = ( 0.3307692 0.3307692 0.3602083), wk = 0.0023697 k( 312) = ( 0.3230769 0.3230769 0.3602083), wk = 0.0023697 k( 313) = ( 0.3153846 0.3153846 0.3602083), wk = 0.0023697 k( 314) = ( 0.3076923 0.3076923 0.3602083), wk = 0.0023697 k( 315) = ( 0.3000000 0.3000000 0.3602083), wk = 0.0023697 k( 316) = ( 0.2923077 0.2923077 0.3602083), wk = 0.0023697 k( 317) = ( 0.2846154 0.2846154 0.3602083), wk = 0.0023697 k( 318) = ( 0.2769231 0.2769231 0.3602083), wk = 0.0023697 k( 319) = ( 0.2692308 0.2692308 0.3602083), wk = 0.0023697 k( 320) = ( 0.2615385 0.2615385 0.3602083), wk = 0.0023697 k( 321) = ( 0.2538461 0.2538461 0.3602083), wk = 0.0023697 k( 322) = ( 0.2461539 0.2461538 0.3602083), wk = 0.0023697 k( 323) = ( 0.2384615 0.2384615 0.3602083), wk = 0.0023697 k( 324) = ( 0.2307692 0.2307692 0.3602083), wk = 0.0023697 k( 325) = ( 0.2230769 0.2230769 0.3602083), wk = 0.0023697 k( 326) = ( 0.2153846 0.2153846 0.3602083), wk = 0.0023697 k( 327) = ( 0.2076923 0.2076923 0.3602083), wk = 0.0023697 k( 328) = ( 0.2000000 0.2000000 0.3602083), wk = 0.0023697 k( 329) = ( 0.1923077 0.1923077 0.3602083), wk = 0.0023697 k( 330) = ( 0.1846154 0.1846154 0.3602083), wk = 0.0023697 k( 331) = ( 0.1769231 0.1769231 0.3602083), wk = 0.0023697 k( 332) = ( 0.1692308 0.1692308 0.3602083), wk = 0.0023697 k( 333) = ( 0.1615385 0.1615385 0.3602083), wk = 0.0023697 k( 334) = ( 0.1538461 0.1538461 0.3602083), wk = 0.0023697 k( 335) = ( 0.1461539 0.1461538 0.3602083), wk = 0.0023697 k( 336) = ( 0.1384615 0.1384615 0.3602083), wk = 0.0023697 k( 337) = ( 0.1307692 0.1307692 0.3602083), wk = 0.0023697 k( 338) = ( 0.1230769 0.1230769 0.3602083), wk = 0.0023697 k( 339) = ( 0.1153846 0.1153846 0.3602083), wk = 0.0023697 k( 340) = ( 0.1076923 0.1076923 0.3602083), wk = 0.0023697 k( 341) = ( 0.1000000 0.1000000 0.3602083), wk = 0.0023697 k( 342) = ( 0.0923077 0.0923077 0.3602083), wk = 0.0023697 k( 343) = ( 0.0846154 0.0846154 0.3602083), wk = 0.0023697 k( 344) = ( 0.0769231 0.0769231 0.3602083), wk = 0.0023697 k( 345) = ( 0.0692308 0.0692308 0.3602083), wk = 0.0023697 k( 346) = ( 0.0615385 0.0615385 0.3602083), wk = 0.0023697 k( 347) = ( 0.0538462 0.0538461 0.3602083), wk = 0.0023697 k( 348) = ( 0.0461539 0.0461538 0.3602083), wk = 0.0023697 k( 349) = ( 0.0384615 0.0384615 0.3602083), wk = 0.0023697 k( 350) = ( 0.0307692 0.0307692 0.3602083), wk = 0.0023697 k( 351) = ( 0.0230769 0.0230769 0.3602083), wk = 0.0023697 k( 352) = ( 0.0153846 0.0153846 0.3602083), wk = 0.0023697 k( 353) = ( 0.0076923 0.0076923 0.3602083), wk = 0.0023697 k( 354) = ( 0.0000000 0.0000000 0.3602083), wk = 0.0023697 k( 355) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 356) = ( 0.0000000 0.5000000 0.0109154), wk = 0.0023697 k( 357) = ( 0.0000000 0.5000000 0.0218308), wk = 0.0023697 k( 358) = ( 0.0000000 0.5000000 0.0327462), wk = 0.0023697 k( 359) = ( 0.0000000 0.5000000 0.0436616), wk = 0.0023697 k( 360) = ( 0.0000000 0.5000000 0.0545770), wk = 0.0023697 k( 361) = ( 0.0000000 0.5000000 0.0654924), wk = 0.0023697 k( 362) = ( 0.0000000 0.5000000 0.0764078), wk = 0.0023697 k( 363) = ( 0.0000000 0.5000000 0.0873232), wk = 0.0023697 k( 364) = ( 0.0000000 0.5000000 0.0982386), wk = 0.0023697 k( 365) = ( 0.0000000 0.5000000 0.1091540), wk = 0.0023697 k( 366) = ( 0.0000000 0.5000000 0.1200694), wk = 0.0023697 k( 367) = ( 0.0000000 0.5000000 0.1309848), wk = 0.0023697 k( 368) = ( 0.0000000 0.5000000 0.1419003), wk = 0.0023697 k( 369) = ( 0.0000000 0.5000000 0.1528157), wk = 0.0023697 k( 370) = ( 0.0000000 0.5000000 0.1637311), wk = 0.0023697 k( 371) = ( 0.0000000 0.5000000 0.1746465), wk = 0.0023697 k( 372) = ( 0.0000000 0.5000000 0.1855619), wk = 0.0023697 k( 373) = ( 0.0000000 0.5000000 0.1964773), wk = 0.0023697 k( 374) = ( 0.0000000 0.5000000 0.2073927), wk = 0.0023697 k( 375) = ( 0.0000000 0.5000000 0.2183081), wk = 0.0023697 k( 376) = ( 0.0000000 0.5000000 0.2292235), wk = 0.0023697 k( 377) = ( 0.0000000 0.5000000 0.2401389), wk = 0.0023697 k( 378) = ( 0.0000000 0.5000000 0.2510543), wk = 0.0023697 k( 379) = ( 0.0000000 0.5000000 0.2619697), wk = 0.0023697 k( 380) = ( 0.0000000 0.5000000 0.2728851), wk = 0.0023697 k( 381) = ( 0.0000000 0.5000000 0.2838005), wk = 0.0023697 k( 382) = ( 0.0000000 0.5000000 0.2947159), wk = 0.0023697 k( 383) = ( 0.0000000 0.5000000 0.3056313), wk = 0.0023697 k( 384) = ( 0.0000000 0.5000000 0.3165467), wk = 0.0023697 k( 385) = ( 0.0000000 0.5000000 0.3274621), wk = 0.0023697 k( 386) = ( 0.0000000 0.5000000 0.3383775), wk = 0.0023697 k( 387) = ( 0.0000000 0.5000000 0.3492929), wk = 0.0023697 k( 388) = ( 0.0000000 0.5000000 0.3602083), wk = 0.0023697 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023697 k( 390) = ( 0.5000000 0.5000000 0.0109154), wk = 0.0023697 k( 391) = ( 0.5000000 0.5000000 0.0218308), wk = 0.0023697 k( 392) = ( 0.5000000 0.5000000 0.0327462), wk = 0.0023697 k( 393) = ( 0.5000000 0.5000000 0.0436616), wk = 0.0023697 k( 394) = ( 0.5000000 0.5000000 0.0545770), wk = 0.0023697 k( 395) = ( 0.5000000 0.5000000 0.0654924), wk = 0.0023697 k( 396) = ( 0.5000000 0.5000000 0.0764078), wk = 0.0023697 k( 397) = ( 0.5000000 0.5000000 0.0873232), wk = 0.0023697 k( 398) = ( 0.5000000 0.5000000 0.0982386), wk = 0.0023697 k( 399) = ( 0.5000000 0.5000000 0.1091540), wk = 0.0023697 k( 400) = ( 0.5000000 0.5000000 0.1200694), wk = 0.0023697 k( 401) = ( 0.5000000 0.5000000 0.1309848), wk = 0.0023697 k( 402) = ( 0.5000000 0.5000000 0.1419003), wk = 0.0023697 k( 403) = ( 0.5000000 0.5000000 0.1528157), wk = 0.0023697 k( 404) = ( 0.5000000 0.5000000 0.1637311), wk = 0.0023697 k( 405) = ( 0.5000000 0.5000000 0.1746465), wk = 0.0023697 k( 406) = ( 0.5000000 0.5000000 0.1855619), wk = 0.0023697 k( 407) = ( 0.5000000 0.5000000 0.1964773), wk = 0.0023697 k( 408) = ( 0.5000000 0.5000000 0.2073927), wk = 0.0023697 k( 409) = ( 0.5000000 0.5000000 0.2183081), wk = 0.0023697 k( 410) = ( 0.5000000 0.5000000 0.2292235), wk = 0.0023697 k( 411) = ( 0.5000000 0.5000000 0.2401389), wk = 0.0023697 k( 412) = ( 0.5000000 0.5000000 0.2510543), wk = 0.0023697 k( 413) = ( 0.5000000 0.5000000 0.2619697), wk = 0.0023697 k( 414) = ( 0.5000000 0.5000000 0.2728851), wk = 0.0023697 k( 415) = ( 0.5000000 0.5000000 0.2838005), wk = 0.0023697 k( 416) = ( 0.5000000 0.5000000 0.2947159), wk = 0.0023697 k( 417) = ( 0.5000000 0.5000000 0.3056313), wk = 0.0023697 k( 418) = ( 0.5000000 0.5000000 0.3165467), wk = 0.0023697 k( 419) = ( 0.5000000 0.5000000 0.3274621), wk = 0.0023697 k( 420) = ( 0.5000000 0.5000000 0.3383775), wk = 0.0023697 k( 421) = ( 0.5000000 0.5000000 0.3492929), wk = 0.0023697 k( 422) = ( 0.5000000 0.5000000 0.3602083), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0000000 0.0108696 0.0000000), wk = 0.0023697 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0023697 k( 8) = ( 0.0000000 0.0760870 0.0000000), wk = 0.0023697 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0000000 0.0978261 0.0000000), wk = 0.0023697 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0000000 0.1195652 0.0000000), wk = 0.0023697 k( 13) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0023697 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0023697 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0023697 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0023697 k( 18) = ( 0.0000000 0.1847826 0.0000000), wk = 0.0023697 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0023697 k( 20) = ( 0.0000000 0.2065217 0.0000000), wk = 0.0023697 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0023697 k( 22) = ( 0.0000000 0.2282609 0.0000000), wk = 0.0023697 k( 23) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0023697 k( 24) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0023697 k( 25) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0023697 k( 26) = ( 0.0000000 0.2717391 0.0000000), wk = 0.0023697 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0023697 k( 28) = ( 0.0000000 0.2934783 0.0000000), wk = 0.0023697 k( 29) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0023697 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0023697 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0023697 k( 32) = ( 0.0000000 0.3369565 0.0000000), wk = 0.0023697 k( 33) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0023697 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0023697 k( 35) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0023697 k( 36) = ( 0.0000000 0.3804348 0.0000000), wk = 0.0023697 k( 37) = ( 0.0000000 0.3913044 0.0000000), wk = 0.0023697 k( 38) = ( 0.0000000 0.4021739 0.0000000), wk = 0.0023697 k( 39) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0023697 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0023697 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0023697 k( 42) = ( 0.0000000 0.4456522 0.0000000), wk = 0.0023697 k( 43) = ( 0.0000000 0.4565217 0.0000000), wk = 0.0023697 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0023697 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0023697 k( 46) = ( 0.0000000 0.4891304 0.0000000), wk = 0.0023697 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 49) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0023697 k( 50) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0023697 k( 51) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0023697 k( 52) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0023697 k( 53) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0023697 k( 54) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0023697 k( 55) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0023697 k( 56) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0023697 k( 57) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0023697 k( 58) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0023697 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0023697 k( 60) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0023697 k( 61) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0023697 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0023697 k( 63) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0023697 k( 64) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0023697 k( 65) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0023697 k( 66) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0023697 k( 67) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0023697 k( 68) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0023697 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0023697 k( 70) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0023697 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0023697 k( 72) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0023697 k( 73) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0023697 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0023697 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0023697 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0023697 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0023697 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0023697 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0023697 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0023697 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0023697 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0023697 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0023697 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0023697 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0023697 k( 86) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0023697 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0023697 k( 88) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0023697 k( 89) = ( 0.4456522 0.5000000 0.0000000), wk = 0.0023697 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0023697 k( 91) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0023697 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0023697 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0023697 k( 94) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 95) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 96) = ( 0.4923077 0.4923077 0.0000000), wk = 0.0023697 k( 97) = ( 0.4846154 0.4846154 -0.0000000), wk = 0.0023697 k( 98) = ( 0.4769231 0.4769231 0.0000000), wk = 0.0023697 k( 99) = ( 0.4692308 0.4692308 0.0000000), wk = 0.0023697 k( 100) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0023697 k( 101) = ( 0.4538462 0.4538462 0.0000000), wk = 0.0023697 k( 102) = ( 0.4461539 0.4461539 0.0000000), wk = 0.0023697 k( 103) = ( 0.4384615 0.4384615 0.0000000), wk = 0.0023697 k( 104) = ( 0.4307692 0.4307692 0.0000000), wk = 0.0023697 k( 105) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0023697 k( 106) = ( 0.4153846 0.4153846 -0.0000000), wk = 0.0023697 k( 107) = ( 0.4076923 0.4076923 0.0000000), wk = 0.0023697 k( 108) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0023697 k( 109) = ( 0.3923077 0.3923077 0.0000000), wk = 0.0023697 k( 110) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0023697 k( 111) = ( 0.3769231 0.3769231 0.0000000), wk = 0.0023697 k( 112) = ( 0.3692308 0.3692308 -0.0000000), wk = 0.0023697 k( 113) = ( 0.3615385 0.3615385 -0.0000000), wk = 0.0023697 k( 114) = ( 0.3538462 0.3538462 -0.0000000), wk = 0.0023697 k( 115) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0023697 k( 116) = ( 0.3384615 0.3384615 0.0000000), wk = 0.0023697 k( 117) = ( 0.3307692 0.3307692 -0.0000000), wk = 0.0023697 k( 118) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0023697 k( 119) = ( 0.3153846 0.3153846 -0.0000000), wk = 0.0023697 k( 120) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0023697 k( 121) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0023697 k( 122) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0023697 k( 123) = ( 0.2846154 0.2846154 -0.0000000), wk = 0.0023697 k( 124) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0023697 k( 125) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0023697 k( 126) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0023697 k( 127) = ( 0.2538461 0.2538461 0.0000000), wk = 0.0023697 k( 128) = ( 0.2461539 0.2461539 0.0000000), wk = 0.0023697 k( 129) = ( 0.2384615 0.2384615 0.0000000), wk = 0.0023697 k( 130) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0023697 k( 131) = ( 0.2230769 0.2230769 0.0000000), wk = 0.0023697 k( 132) = ( 0.2153846 0.2153846 -0.0000000), wk = 0.0023697 k( 133) = ( 0.2076923 0.2076923 -0.0000000), wk = 0.0023697 k( 134) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0023697 k( 135) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0023697 k( 136) = ( 0.1846154 0.1846154 0.0000000), wk = 0.0023697 k( 137) = ( 0.1769231 0.1769231 0.0000000), wk = 0.0023697 k( 138) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0023697 k( 139) = ( 0.1615385 0.1615385 -0.0000000), wk = 0.0023697 k( 140) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0023697 k( 141) = ( 0.1461539 0.1461539 -0.0000000), wk = 0.0023697 k( 142) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0023697 k( 143) = ( 0.1307692 0.1307692 0.0000000), wk = 0.0023697 k( 144) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0023697 k( 145) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0023697 k( 146) = ( 0.1076923 0.1076923 -0.0000000), wk = 0.0023697 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0023697 k( 148) = ( 0.0923077 0.0923077 0.0000000), wk = 0.0023697 k( 149) = ( 0.0846154 0.0846154 0.0000000), wk = 0.0023697 k( 150) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0023697 k( 151) = ( 0.0692308 0.0692308 0.0000000), wk = 0.0023697 k( 152) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0023697 k( 153) = ( 0.0538462 0.0538462 0.0000000), wk = 0.0023697 k( 154) = ( 0.0461539 0.0461539 -0.0000000), wk = 0.0023697 k( 155) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0023697 k( 156) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0023697 k( 157) = ( 0.0230769 0.0230769 0.0000000), wk = 0.0023697 k( 158) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0023697 k( 159) = ( 0.0076923 0.0076923 -0.0000000), wk = 0.0023697 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 162) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0023697 k( 163) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0023697 k( 164) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0023697 k( 165) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0023697 k( 166) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 196) = ( 0.0000000 0.0108696 0.5000000), wk = 0.0023697 k( 197) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0023697 k( 198) = ( 0.0000000 0.0326087 0.5000000), wk = 0.0023697 k( 199) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0023697 k( 200) = ( 0.0000000 0.0543478 0.5000000), wk = 0.0023697 k( 201) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0023697 k( 202) = ( 0.0000000 0.0760870 0.5000000), wk = 0.0023697 k( 203) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0023697 k( 204) = ( 0.0000000 0.0978261 0.5000000), wk = 0.0023697 k( 205) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0023697 k( 206) = ( 0.0000000 0.1195652 0.5000000), wk = 0.0023697 k( 207) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0023697 k( 208) = ( 0.0000000 0.1413043 0.5000000), wk = 0.0023697 k( 209) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0023697 k( 210) = ( 0.0000000 0.1630435 0.5000000), wk = 0.0023697 k( 211) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0023697 k( 212) = ( 0.0000000 0.1847826 0.5000000), wk = 0.0023697 k( 213) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0023697 k( 214) = ( 0.0000000 0.2065217 0.5000000), wk = 0.0023697 k( 215) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0023697 k( 216) = ( 0.0000000 0.2282609 0.5000000), wk = 0.0023697 k( 217) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0023697 k( 218) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0023697 k( 219) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0023697 k( 220) = ( 0.0000000 0.2717391 0.5000000), wk = 0.0023697 k( 221) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0023697 k( 222) = ( 0.0000000 0.2934783 0.5000000), wk = 0.0023697 k( 223) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0023697 k( 224) = ( 0.0000000 0.3152174 0.5000000), wk = 0.0023697 k( 225) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0023697 k( 226) = ( 0.0000000 0.3369565 0.5000000), wk = 0.0023697 k( 227) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0023697 k( 228) = ( 0.0000000 0.3586956 0.5000000), wk = 0.0023697 k( 229) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0023697 k( 230) = ( 0.0000000 0.3804348 0.5000000), wk = 0.0023697 k( 231) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0023697 k( 232) = ( 0.0000000 0.4021739 0.5000000), wk = 0.0023697 k( 233) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0023697 k( 234) = ( 0.0000000 0.4239130 0.5000000), wk = 0.0023697 k( 235) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0023697 k( 236) = ( 0.0000000 0.4456522 0.5000000), wk = 0.0023697 k( 237) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0023697 k( 238) = ( 0.0000000 0.4673913 0.5000000), wk = 0.0023697 k( 239) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0023697 k( 240) = ( 0.0000000 0.4891304 0.5000000), wk = 0.0023697 k( 241) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 242) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 243) = ( 0.0108696 0.5000000 0.5000000), wk = 0.0023697 k( 244) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0023697 k( 245) = ( 0.0326087 0.5000000 0.5000000), wk = 0.0023697 k( 246) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0023697 k( 247) = ( 0.0543478 0.5000000 0.5000000), wk = 0.0023697 k( 248) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0023697 k( 249) = ( 0.0760870 0.5000000 0.5000000), wk = 0.0023697 k( 250) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0023697 k( 251) = ( 0.0978261 0.5000000 0.5000000), wk = 0.0023697 k( 252) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0023697 k( 253) = ( 0.1195652 0.5000000 0.5000000), wk = 0.0023697 k( 254) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0023697 k( 255) = ( 0.1413043 0.5000000 0.5000000), wk = 0.0023697 k( 256) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0023697 k( 257) = ( 0.1630435 0.5000000 0.5000000), wk = 0.0023697 k( 258) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0023697 k( 259) = ( 0.1847826 0.5000000 0.5000000), wk = 0.0023697 k( 260) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0023697 k( 261) = ( 0.2065217 0.5000000 0.5000000), wk = 0.0023697 k( 262) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0023697 k( 263) = ( 0.2282609 0.5000000 0.5000000), wk = 0.0023697 k( 264) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0023697 k( 265) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023697 k( 266) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0023697 k( 267) = ( 0.2717391 0.5000000 0.5000000), wk = 0.0023697 k( 268) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0023697 k( 269) = ( 0.2934783 0.5000000 0.5000000), wk = 0.0023697 k( 270) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0023697 k( 271) = ( 0.3152174 0.5000000 0.5000000), wk = 0.0023697 k( 272) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0023697 k( 273) = ( 0.3369565 0.5000000 0.5000000), wk = 0.0023697 k( 274) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0023697 k( 275) = ( 0.3586956 0.5000000 0.5000000), wk = 0.0023697 k( 276) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0023697 k( 277) = ( 0.3804348 0.5000000 0.5000000), wk = 0.0023697 k( 278) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0023697 k( 279) = ( 0.4021739 0.5000000 0.5000000), wk = 0.0023697 k( 280) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0023697 k( 281) = ( 0.4239130 0.5000000 0.5000000), wk = 0.0023697 k( 282) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0023697 k( 283) = ( 0.4456522 0.5000000 0.5000000), wk = 0.0023697 k( 284) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0023697 k( 285) = ( 0.4673913 0.5000000 0.5000000), wk = 0.0023697 k( 286) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0023697 k( 287) = ( 0.4891304 0.5000000 0.5000000), wk = 0.0023697 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 290) = ( 0.4923077 0.4923077 0.5000000), wk = 0.0023697 k( 291) = ( 0.4846154 0.4846154 0.5000000), wk = 0.0023697 k( 292) = ( 0.4769231 0.4769231 0.5000000), wk = 0.0023697 k( 293) = ( 0.4692308 0.4692308 0.5000000), wk = 0.0023697 k( 294) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0023697 k( 295) = ( 0.4538462 0.4538462 0.5000000), wk = 0.0023697 k( 296) = ( 0.4461539 0.4461539 0.5000000), wk = 0.0023697 k( 297) = ( 0.4384615 0.4384615 0.5000000), wk = 0.0023697 k( 298) = ( 0.4307692 0.4307692 0.5000000), wk = 0.0023697 k( 299) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0023697 k( 300) = ( 0.4153846 0.4153846 0.5000000), wk = 0.0023697 k( 301) = ( 0.4076923 0.4076923 0.5000000), wk = 0.0023697 k( 302) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0023697 k( 303) = ( 0.3923077 0.3923077 0.5000000), wk = 0.0023697 k( 304) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0023697 k( 305) = ( 0.3769231 0.3769231 0.5000000), wk = 0.0023697 k( 306) = ( 0.3692308 0.3692308 0.5000000), wk = 0.0023697 k( 307) = ( 0.3615385 0.3615385 0.5000000), wk = 0.0023697 k( 308) = ( 0.3538462 0.3538462 0.5000000), wk = 0.0023697 k( 309) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0023697 k( 310) = ( 0.3384615 0.3384615 0.5000000), wk = 0.0023697 k( 311) = ( 0.3307692 0.3307692 0.5000000), wk = 0.0023697 k( 312) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0023697 k( 313) = ( 0.3153846 0.3153846 0.5000000), wk = 0.0023697 k( 314) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0023697 k( 315) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0023697 k( 316) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0023697 k( 317) = ( 0.2846154 0.2846154 0.5000000), wk = 0.0023697 k( 318) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0023697 k( 319) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0023697 k( 320) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0023697 k( 321) = ( 0.2538461 0.2538461 0.5000000), wk = 0.0023697 k( 322) = ( 0.2461539 0.2461539 0.5000000), wk = 0.0023697 k( 323) = ( 0.2384615 0.2384615 0.5000000), wk = 0.0023697 k( 324) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0023697 k( 325) = ( 0.2230769 0.2230769 0.5000000), wk = 0.0023697 k( 326) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0023697 k( 327) = ( 0.2076923 0.2076923 0.5000000), wk = 0.0023697 k( 328) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0023697 k( 329) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0023697 k( 330) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0023697 k( 331) = ( 0.1769231 0.1769231 0.5000000), wk = 0.0023697 k( 332) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0023697 k( 333) = ( 0.1615385 0.1615385 0.5000000), wk = 0.0023697 k( 334) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0023697 k( 335) = ( 0.1461539 0.1461539 0.5000000), wk = 0.0023697 k( 336) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0023697 k( 337) = ( 0.1307692 0.1307692 0.5000000), wk = 0.0023697 k( 338) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0023697 k( 339) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0023697 k( 340) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0023697 k( 341) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0023697 k( 342) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0023697 k( 343) = ( 0.0846154 0.0846154 0.5000000), wk = 0.0023697 k( 344) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0023697 k( 345) = ( 0.0692308 0.0692308 0.5000000), wk = 0.0023697 k( 346) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0023697 k( 347) = ( 0.0538462 0.0538462 0.5000000), wk = 0.0023697 k( 348) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0023697 k( 349) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0023697 k( 350) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0023697 k( 351) = ( 0.0230769 0.0230769 0.5000000), wk = 0.0023697 k( 352) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0023697 k( 353) = ( 0.0076923 0.0076923 0.5000000), wk = 0.0023697 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 355) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 356) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0023697 k( 357) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0023697 k( 358) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0023697 k( 359) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0023697 k( 360) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0023697 k( 361) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0023697 k( 362) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0023697 k( 363) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0023697 k( 364) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0023697 k( 365) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0023697 k( 366) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023697 k( 367) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0023697 k( 368) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0023697 k( 369) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0023697 k( 370) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0023697 k( 371) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0023697 k( 372) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0023697 k( 373) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0023697 k( 374) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0023697 k( 375) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0023697 k( 376) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0023697 k( 377) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023697 k( 378) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0023697 k( 379) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0023697 k( 380) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0023697 k( 381) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0023697 k( 382) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023697 k( 383) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0023697 k( 384) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0023697 k( 385) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0023697 k( 386) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0023697 k( 387) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0023697 k( 388) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 389) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 390) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0023697 k( 391) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0023697 k( 392) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0023697 k( 393) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0023697 k( 394) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0023697 k( 395) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0023697 k( 396) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0023697 k( 397) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0023697 k( 398) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0023697 k( 399) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0023697 k( 400) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0023697 k( 401) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0023697 k( 402) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0023697 k( 403) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0023697 k( 404) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0023697 k( 405) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0023697 k( 406) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0023697 k( 407) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0023697 k( 408) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0023697 k( 409) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0023697 k( 410) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0023697 k( 411) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0023697 k( 412) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0023697 k( 413) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0023697 k( 414) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0023697 k( 415) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0023697 k( 416) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023697 k( 417) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0023697 k( 418) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0023697 k( 419) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0023697 k( 420) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0023697 k( 421) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0023697 k( 422) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 63921 G-vectors FFT dimensions: ( 45, 45, 64) Smooth grid: 28627 G-vectors FFT dimensions: ( 36, 36, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 216, 32) NL pseudopotentials 0.08 Mb ( 108, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1778) G-vector shells 0.01 Mb ( 802) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 216, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 48, 2, 32) The potential is recalculated from file : ./NaBi.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc 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 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.1 secs Computing kpt #: 20 total cpu time spent up to now is 4.3 secs Computing kpt #: 21 total cpu time spent up to now is 4.4 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.9 secs Computing kpt #: 25 total cpu time spent up to now is 5.0 secs Computing kpt #: 26 total cpu time spent up to now is 5.2 secs Computing kpt #: 27 total cpu time spent up to now is 5.3 secs Computing kpt #: 28 total cpu time spent up to now is 5.5 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.7 secs Computing kpt #: 37 total cpu time spent up to now is 6.8 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.1 secs Computing kpt #: 40 total cpu time spent up to now is 7.2 secs Computing kpt #: 41 total cpu time spent up to now is 7.3 secs Computing kpt #: 42 total cpu time spent up to now is 7.5 secs Computing kpt #: 43 total cpu time spent up to now is 7.6 secs Computing kpt #: 44 total cpu time spent up to now is 7.7 secs Computing kpt #: 45 total cpu time spent up to now is 7.8 secs Computing kpt #: 46 total cpu time spent up to now is 8.0 secs Computing kpt #: 47 total cpu time spent up to now is 8.1 secs Computing kpt #: 48 total cpu time spent up to now is 8.2 secs Computing kpt #: 49 total cpu time spent up to now is 8.3 secs Computing kpt #: 50 total cpu time spent up to now is 8.4 secs Computing kpt #: 51 total cpu time spent up to now is 8.5 secs Computing kpt #: 52 total cpu time spent up to now is 8.7 secs Computing kpt #: 53 total cpu time spent up to now is 8.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.9 secs Computing kpt #: 55 total cpu time spent up to now is 9.0 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.6 secs Computing kpt #: 60 total cpu time spent up to now is 9.7 secs Computing kpt #: 61 total cpu time spent up to now is 9.8 secs Computing kpt #: 62 total cpu time spent up to now is 10.0 secs Computing kpt #: 63 total cpu time spent up to now is 10.1 secs Computing kpt #: 64 total cpu time spent up to now is 10.2 secs Computing kpt #: 65 total cpu time spent up to now is 10.4 secs Computing kpt #: 66 total cpu time spent up to now is 10.5 secs Computing kpt #: 67 total cpu time spent up to now is 10.6 secs Computing kpt #: 68 total cpu time spent up to now is 10.8 secs Computing kpt #: 69 total cpu time spent up to now is 10.9 secs Computing kpt #: 70 total cpu time spent up to now is 11.1 secs Computing kpt #: 71 total cpu time spent up to now is 11.2 secs Computing kpt #: 72 total cpu time spent up to now is 11.3 secs Computing kpt #: 73 total cpu time spent up to now is 11.5 secs Computing kpt #: 74 total cpu time spent up to now is 11.6 secs Computing kpt #: 75 total cpu time spent up to now is 11.8 secs Computing kpt #: 76 total cpu time spent up to now is 12.0 secs Computing kpt #: 77 total cpu time spent up to now is 12.1 secs Computing kpt #: 78 total cpu time spent up to now is 12.3 secs Computing kpt #: 79 total cpu time spent up to now is 12.4 secs Computing kpt #: 80 total cpu time spent up to now is 12.6 secs Computing kpt #: 81 total cpu time spent up to now is 12.8 secs Computing kpt #: 82 total cpu time spent up to now is 12.9 secs Computing kpt #: 83 total cpu time spent up to now is 13.1 secs Computing kpt #: 84 total cpu time spent up to now is 13.3 secs Computing kpt #: 85 total cpu time spent up to now is 13.5 secs Computing kpt #: 86 total cpu time spent up to now is 13.7 secs Computing kpt #: 87 total cpu time spent up to now is 13.8 secs Computing kpt #: 88 total cpu time spent up to now is 14.0 secs Computing kpt #: 89 total cpu time spent up to now is 14.2 secs Computing kpt #: 90 total cpu time spent up to now is 14.4 secs Computing kpt #: 91 total cpu time spent up to now is 14.6 secs Computing kpt #: 92 total cpu time spent up to now is 14.7 secs Computing kpt #: 93 total cpu time spent up to now is 14.9 secs Computing kpt #: 94 total cpu time spent up to now is 15.1 secs Computing kpt #: 95 total cpu time spent up to now is 15.3 secs Computing kpt #: 96 total cpu time spent up to now is 15.4 secs Computing kpt #: 97 total cpu time spent up to now is 15.6 secs Computing kpt #: 98 total cpu time spent up to now is 15.8 secs Computing kpt #: 99 total cpu time spent up to now is 16.0 secs Computing kpt #: 100 total cpu time spent up to now is 16.1 secs Computing kpt #: 101 total cpu time spent up to now is 16.3 secs Computing kpt #: 102 total cpu time spent up to now is 16.5 secs Computing kpt #: 103 total cpu time spent up to now is 16.7 secs Computing kpt #: 104 total cpu time spent up to now is 16.8 secs Computing kpt #: 105 total cpu time spent up to now is 17.0 secs Computing kpt #: 106 total cpu time spent up to now is 17.2 secs Computing kpt #: 107 total cpu time spent up to now is 17.4 secs Computing kpt #: 108 total cpu time spent up to now is 17.6 secs Computing kpt #: 109 total cpu time spent up to now is 17.7 secs Computing kpt #: 110 total cpu time spent up to now is 17.9 secs Computing kpt #: 111 total cpu time spent up to now is 18.1 secs Computing kpt #: 112 total cpu time spent up to now is 18.2 secs Computing kpt #: 113 total cpu time spent up to now is 18.4 secs Computing kpt #: 114 total cpu time spent up to now is 18.5 secs Computing kpt #: 115 total cpu time spent up to now is 18.7 secs Computing kpt #: 116 total cpu time spent up to now is 18.8 secs Computing kpt #: 117 total cpu time spent up to now is 19.0 secs Computing kpt #: 118 total cpu time spent up to now is 19.2 secs Computing kpt #: 119 total cpu time spent up to now is 19.3 secs Computing kpt #: 120 total cpu time spent up to now is 19.5 secs Computing kpt #: 121 total cpu time spent up to now is 19.7 secs Computing kpt #: 122 total cpu time spent up to now is 19.8 secs Computing kpt #: 123 total cpu time spent up to now is 20.0 secs Computing kpt #: 124 total cpu time spent up to now is 20.1 secs Computing kpt #: 125 total cpu time spent up to now is 20.3 secs Computing kpt #: 126 total cpu time spent up to now is 20.5 secs Computing kpt #: 127 total cpu time spent up to now is 20.6 secs Computing kpt #: 128 total cpu time spent up to now is 20.8 secs Computing kpt #: 129 total cpu time spent up to now is 21.0 secs Computing kpt #: 130 total cpu time spent up to now is 21.1 secs Computing kpt #: 131 total cpu time spent up to now is 21.3 secs Computing kpt #: 132 total cpu time spent up to now is 21.5 secs Computing kpt #: 133 total cpu time spent up to now is 21.6 secs Computing kpt #: 134 total cpu time spent up to now is 21.8 secs Computing kpt #: 135 total cpu time spent up to now is 22.0 secs Computing kpt #: 136 total cpu time spent up to now is 22.2 secs Computing kpt #: 137 total cpu time spent up to now is 22.5 secs Computing kpt #: 138 total cpu time spent up to now is 22.7 secs Computing kpt #: 139 total cpu time spent up to now is 22.9 secs Computing kpt #: 140 total cpu time spent up to now is 23.0 secs Computing kpt #: 141 total cpu time spent up to now is 23.2 secs Computing kpt #: 142 total cpu time spent up to now is 23.4 secs Computing kpt #: 143 total cpu time spent up to now is 23.6 secs Computing kpt #: 144 total cpu time spent up to now is 23.7 secs Computing kpt #: 145 total cpu time spent up to now is 23.9 secs Computing kpt #: 146 total cpu time spent up to now is 24.1 secs Computing kpt #: 147 total cpu time spent up to now is 24.2 secs Computing kpt #: 148 total cpu time spent up to now is 24.3 secs Computing kpt #: 149 total cpu time spent up to now is 24.5 secs Computing kpt #: 150 total cpu time spent up to now is 24.6 secs Computing kpt #: 151 total cpu time spent up to now is 24.8 secs Computing kpt #: 152 total cpu time spent up to now is 24.9 secs Computing kpt #: 153 total cpu time spent up to now is 25.0 secs Computing kpt #: 154 total cpu time spent up to now is 25.1 secs Computing kpt #: 155 total cpu time spent up to now is 25.3 secs Computing kpt #: 156 total cpu time spent up to now is 25.4 secs Computing kpt #: 157 total cpu time spent up to now is 25.5 secs Computing kpt #: 158 total cpu time spent up to now is 25.6 secs Computing kpt #: 159 total cpu time spent up to now is 25.8 secs Computing kpt #: 160 total cpu time spent up to now is 25.9 secs Computing kpt #: 161 total cpu time spent up to now is 26.0 secs Computing kpt #: 162 total cpu time spent up to now is 26.1 secs Computing kpt #: 163 total cpu time spent up to now is 26.3 secs Computing kpt #: 164 total cpu time spent up to now is 26.4 secs Computing kpt #: 165 total cpu time spent up to now is 26.5 secs Computing kpt #: 166 total cpu time spent up to now is 26.6 secs Computing kpt #: 167 total cpu time spent up to now is 26.8 secs Computing kpt #: 168 total cpu time spent up to now is 26.9 secs Computing kpt #: 169 total cpu time spent up to now is 27.0 secs Computing kpt #: 170 total cpu time spent up to now is 27.1 secs Computing kpt #: 171 total cpu time spent up to now is 27.3 secs Computing kpt #: 172 total cpu time spent up to now is 27.4 secs Computing kpt #: 173 total cpu time spent up to now is 27.5 secs Computing kpt #: 174 total cpu time spent up to now is 27.7 secs Computing kpt #: 175 total cpu time spent up to now is 27.8 secs Computing kpt #: 176 total cpu time spent up to now is 27.9 secs Computing kpt #: 177 total cpu time spent up to now is 28.1 secs Computing kpt #: 178 total cpu time spent up to now is 28.2 secs Computing kpt #: 179 total cpu time spent up to now is 28.3 secs Computing kpt #: 180 total cpu time spent up to now is 28.5 secs Computing kpt #: 181 total cpu time spent up to now is 28.6 secs Computing kpt #: 182 total cpu time spent up to now is 28.8 secs Computing kpt #: 183 total cpu time spent up to now is 28.9 secs Computing kpt #: 184 total cpu time spent up to now is 29.0 secs Computing kpt #: 185 total cpu time spent up to now is 29.2 secs Computing kpt #: 186 total cpu time spent up to now is 29.3 secs Computing kpt #: 187 total cpu time spent up to now is 29.5 secs Computing kpt #: 188 total cpu time spent up to now is 29.6 secs Computing kpt #: 189 total cpu time spent up to now is 29.8 secs Computing kpt #: 190 total cpu time spent up to now is 29.9 secs Computing kpt #: 191 total cpu time spent up to now is 30.1 secs Computing kpt #: 192 total cpu time spent up to now is 30.2 secs Computing kpt #: 193 total cpu time spent up to now is 30.4 secs Computing kpt #: 194 total cpu time spent up to now is 30.5 secs Computing kpt #: 195 total cpu time spent up to now is 30.6 secs Computing kpt #: 196 total cpu time spent up to now is 30.8 secs Computing kpt #: 197 total cpu time spent up to now is 31.0 secs Computing kpt #: 198 total cpu time spent up to now is 31.1 secs Computing kpt #: 199 total cpu time spent up to now is 31.3 secs Computing kpt #: 200 total cpu time spent up to now is 31.5 secs Computing kpt #: 201 total cpu time spent up to now is 31.6 secs Computing kpt #: 202 total cpu time spent up to now is 31.8 secs Computing kpt #: 203 total cpu time spent up to now is 32.0 secs Computing kpt #: 204 total cpu time spent up to now is 32.1 secs Computing kpt #: 205 total cpu time spent up to now is 32.3 secs Computing kpt #: 206 total cpu time spent up to now is 32.4 secs Computing kpt #: 207 total cpu time spent up to now is 32.6 secs Computing kpt #: 208 total cpu time spent up to now is 32.7 secs Computing kpt #: 209 total cpu time spent up to now is 32.9 secs Computing kpt #: 210 total cpu time spent up to now is 33.0 secs Computing kpt #: 211 total cpu time spent up to now is 33.2 secs Computing kpt #: 212 total cpu time spent up to now is 33.3 secs Computing kpt #: 213 total cpu time spent up to now is 33.4 secs Computing kpt #: 214 total cpu time spent up to now is 33.6 secs Computing kpt #: 215 total cpu time spent up to now is 33.7 secs Computing kpt #: 216 total cpu time spent up to now is 33.9 secs Computing kpt #: 217 total cpu time spent up to now is 34.0 secs Computing kpt #: 218 total cpu time spent up to now is 34.3 secs Computing kpt #: 219 total cpu time spent up to now is 34.5 secs Computing kpt #: 220 total cpu time spent up to now is 34.6 secs Computing kpt #: 221 total cpu time spent up to now is 34.8 secs Computing kpt #: 222 total cpu time spent up to now is 34.9 secs Computing kpt #: 223 total cpu time spent up to now is 35.1 secs Computing kpt #: 224 total cpu time spent up to now is 35.2 secs Computing kpt #: 225 total cpu time spent up to now is 35.3 secs Computing kpt #: 226 total cpu time spent up to now is 35.5 secs Computing kpt #: 227 total cpu time spent up to now is 35.7 secs Computing kpt #: 228 total cpu time spent up to now is 35.8 secs Computing kpt #: 229 total cpu time spent up to now is 36.0 secs Computing kpt #: 230 total cpu time spent up to now is 36.1 secs Computing kpt #: 231 total cpu time spent up to now is 36.2 secs Computing kpt #: 232 total cpu time spent up to now is 36.4 secs Computing kpt #: 233 total cpu time spent up to now is 36.6 secs Computing kpt #: 234 total cpu time spent up to now is 36.7 secs Computing kpt #: 235 total cpu time spent up to now is 36.9 secs Computing kpt #: 236 total cpu time spent up to now is 37.0 secs Computing kpt #: 237 total cpu time spent up to now is 37.2 secs Computing kpt #: 238 total cpu time spent up to now is 37.4 secs Computing kpt #: 239 total cpu time spent up to now is 37.5 secs Computing kpt #: 240 total cpu time spent up to now is 37.7 secs Computing kpt #: 241 total cpu time spent up to now is 37.8 secs Computing kpt #: 242 total cpu time spent up to now is 38.0 secs Computing kpt #: 243 total cpu time spent up to now is 38.1 secs Computing kpt #: 244 total cpu time spent up to now is 38.3 secs Computing kpt #: 245 total cpu time spent up to now is 38.4 secs Computing kpt #: 246 total cpu time spent up to now is 38.6 secs Computing kpt #: 247 total cpu time spent up to now is 38.8 secs Computing kpt #: 248 total cpu time spent up to now is 39.0 secs Computing kpt #: 249 total cpu time spent up to now is 39.1 secs Computing kpt #: 250 total cpu time spent up to now is 39.3 secs Computing kpt #: 251 total cpu time spent up to now is 39.5 secs Computing kpt #: 252 total cpu time spent up to now is 39.6 secs Computing kpt #: 253 total cpu time spent up to now is 39.8 secs Computing kpt #: 254 total cpu time spent up to now is 39.9 secs Computing kpt #: 255 total cpu time spent up to now is 40.1 secs Computing kpt #: 256 total cpu time spent up to now is 40.2 secs Computing kpt #: 257 total cpu time spent up to now is 40.3 secs Computing kpt #: 258 total cpu time spent up to now is 40.5 secs Computing kpt #: 259 total cpu time spent up to now is 40.6 secs Computing kpt #: 260 total cpu time spent up to now is 40.7 secs Computing kpt #: 261 total cpu time spent up to now is 40.9 secs Computing kpt #: 262 total cpu time spent up to now is 41.0 secs Computing kpt #: 263 total cpu time spent up to now is 41.1 secs Computing kpt #: 264 total cpu time spent up to now is 41.3 secs Computing kpt #: 265 total cpu time spent up to now is 41.4 secs Computing kpt #: 266 total cpu time spent up to now is 41.5 secs Computing kpt #: 267 total cpu time spent up to now is 41.6 secs Computing kpt #: 268 total cpu time spent up to now is 41.8 secs Computing kpt #: 269 total cpu time spent up to now is 41.9 secs Computing kpt #: 270 total cpu time spent up to now is 42.0 secs Computing kpt #: 271 total cpu time spent up to now is 42.2 secs Computing kpt #: 272 total cpu time spent up to now is 42.3 secs Computing kpt #: 273 total cpu time spent up to now is 42.4 secs Computing kpt #: 274 total cpu time spent up to now is 42.6 secs Computing kpt #: 275 total cpu time spent up to now is 42.7 secs Computing kpt #: 276 total cpu time spent up to now is 42.9 secs Computing kpt #: 277 total cpu time spent up to now is 43.0 secs Computing kpt #: 278 total cpu time spent up to now is 43.1 secs Computing kpt #: 279 total cpu time spent up to now is 43.3 secs Computing kpt #: 280 total cpu time spent up to now is 43.4 secs Computing kpt #: 281 total cpu time spent up to now is 43.5 secs Computing kpt #: 282 total cpu time spent up to now is 43.7 secs Computing kpt #: 283 total cpu time spent up to now is 43.8 secs Computing kpt #: 284 total cpu time spent up to now is 43.9 secs Computing kpt #: 285 total cpu time spent up to now is 44.1 secs Computing kpt #: 286 total cpu time spent up to now is 44.2 secs Computing kpt #: 287 total cpu time spent up to now is 44.3 secs Computing kpt #: 288 total cpu time spent up to now is 44.4 secs Computing kpt #: 289 total cpu time spent up to now is 44.5 secs Computing kpt #: 290 total cpu time spent up to now is 44.6 secs Computing kpt #: 291 total cpu time spent up to now is 44.8 secs Computing kpt #: 292 total cpu time spent up to now is 44.9 secs Computing kpt #: 293 total cpu time spent up to now is 45.0 secs Computing kpt #: 294 total cpu time spent up to now is 45.1 secs Computing kpt #: 295 total cpu time spent up to now is 45.3 secs Computing kpt #: 296 total cpu time spent up to now is 45.4 secs Computing kpt #: 297 total cpu time spent up to now is 45.5 secs Computing kpt #: 298 total cpu time spent up to now is 45.7 secs Computing kpt #: 299 total cpu time spent up to now is 45.8 secs Computing kpt #: 300 total cpu time spent up to now is 45.9 secs Computing kpt #: 301 total cpu time spent up to now is 46.1 secs Computing kpt #: 302 total cpu time spent up to now is 46.2 secs Computing kpt #: 303 total cpu time spent up to now is 46.3 secs Computing kpt #: 304 total cpu time spent up to now is 46.4 secs Computing kpt #: 305 total cpu time spent up to now is 46.6 secs Computing kpt #: 306 total cpu time spent up to now is 46.7 secs Computing kpt #: 307 total cpu time spent up to now is 46.8 secs Computing kpt #: 308 total cpu time spent up to now is 47.0 secs Computing kpt #: 309 total cpu time spent up to now is 47.1 secs Computing kpt #: 310 total cpu time spent up to now is 47.2 secs Computing kpt #: 311 total cpu time spent up to now is 47.3 secs Computing kpt #: 312 total cpu time spent up to now is 47.5 secs Computing kpt #: 313 total cpu time spent up to now is 47.6 secs Computing kpt #: 314 total cpu time spent up to now is 47.7 secs Computing kpt #: 315 total cpu time spent up to now is 47.9 secs Computing kpt #: 316 total cpu time spent up to now is 48.0 secs Computing kpt #: 317 total cpu time spent up to now is 48.1 secs Computing kpt #: 318 total cpu time spent up to now is 48.3 secs Computing kpt #: 319 total cpu time spent up to now is 48.4 secs Computing kpt #: 320 total cpu time spent up to now is 48.5 secs Computing kpt #: 321 total cpu time spent up to now is 48.7 secs Computing kpt #: 322 total cpu time spent up to now is 48.8 secs Computing kpt #: 323 total cpu time spent up to now is 49.0 secs Computing kpt #: 324 total cpu time spent up to now is 49.2 secs Computing kpt #: 325 total cpu time spent up to now is 49.3 secs Computing kpt #: 326 total cpu time spent up to now is 49.5 secs Computing kpt #: 327 total cpu time spent up to now is 49.6 secs Computing kpt #: 328 total cpu time spent up to now is 49.8 secs Computing kpt #: 329 total cpu time spent up to now is 50.0 secs Computing kpt #: 330 total cpu time spent up to now is 50.1 secs Computing kpt #: 331 total cpu time spent up to now is 50.3 secs Computing kpt #: 332 total cpu time spent up to now is 50.4 secs Computing kpt #: 333 total cpu time spent up to now is 50.6 secs Computing kpt #: 334 total cpu time spent up to now is 50.8 secs Computing kpt #: 335 total cpu time spent up to now is 50.9 secs Computing kpt #: 336 total cpu time spent up to now is 51.1 secs Computing kpt #: 337 total cpu time spent up to now is 51.3 secs Computing kpt #: 338 total cpu time spent up to now is 51.4 secs Computing kpt #: 339 total cpu time spent up to now is 51.6 secs Computing kpt #: 340 total cpu time spent up to now is 51.8 secs Computing kpt #: 341 total cpu time spent up to now is 51.9 secs Computing kpt #: 342 total cpu time spent up to now is 52.1 secs Computing kpt #: 343 total cpu time spent up to now is 52.3 secs Computing kpt #: 344 total cpu time spent up to now is 52.4 secs Computing kpt #: 345 total cpu time spent up to now is 52.6 secs Computing kpt #: 346 total cpu time spent up to now is 52.7 secs Computing kpt #: 347 total cpu time spent up to now is 52.9 secs Computing kpt #: 348 total cpu time spent up to now is 53.1 secs Computing kpt #: 349 total cpu time spent up to now is 53.2 secs Computing kpt #: 350 total cpu time spent up to now is 53.4 secs Computing kpt #: 351 total cpu time spent up to now is 53.6 secs Computing kpt #: 352 total cpu time spent up to now is 53.7 secs Computing kpt #: 353 total cpu time spent up to now is 53.9 secs Computing kpt #: 354 total cpu time spent up to now is 54.0 secs Computing kpt #: 355 total cpu time spent up to now is 54.1 secs Computing kpt #: 356 total cpu time spent up to now is 54.3 secs Computing kpt #: 357 total cpu time spent up to now is 54.4 secs Computing kpt #: 358 total cpu time spent up to now is 54.5 secs Computing kpt #: 359 total cpu time spent up to now is 54.6 secs Computing kpt #: 360 total cpu time spent up to now is 54.7 secs Computing kpt #: 361 total cpu time spent up to now is 54.9 secs Computing kpt #: 362 total cpu time spent up to now is 55.0 secs Computing kpt #: 363 total cpu time spent up to now is 55.1 secs Computing kpt #: 364 total cpu time spent up to now is 55.2 secs Computing kpt #: 365 total cpu time spent up to now is 55.4 secs Computing kpt #: 366 total cpu time spent up to now is 55.5 secs Computing kpt #: 367 total cpu time spent up to now is 55.6 secs Computing kpt #: 368 total cpu time spent up to now is 55.8 secs Computing kpt #: 369 total cpu time spent up to now is 55.9 secs Computing kpt #: 370 total cpu time spent up to now is 56.0 secs Computing kpt #: 371 total cpu time spent up to now is 56.2 secs Computing kpt #: 372 total cpu time spent up to now is 56.3 secs Computing kpt #: 373 total cpu time spent up to now is 56.5 secs Computing kpt #: 374 total cpu time spent up to now is 56.6 secs Computing kpt #: 375 total cpu time spent up to now is 56.8 secs Computing kpt #: 376 total cpu time spent up to now is 57.0 secs Computing kpt #: 377 total cpu time spent up to now is 57.2 secs Computing kpt #: 378 total cpu time spent up to now is 57.3 secs Computing kpt #: 379 total cpu time spent up to now is 57.5 secs Computing kpt #: 380 total cpu time spent up to now is 57.7 secs Computing kpt #: 381 total cpu time spent up to now is 57.9 secs Computing kpt #: 382 total cpu time spent up to now is 58.1 secs Computing kpt #: 383 total cpu time spent up to now is 58.3 secs Computing kpt #: 384 total cpu time spent up to now is 58.4 secs Computing kpt #: 385 total cpu time spent up to now is 58.6 secs Computing kpt #: 386 total cpu time spent up to now is 58.8 secs Computing kpt #: 387 total cpu time spent up to now is 58.9 secs Computing kpt #: 388 total cpu time spent up to now is 59.1 secs Computing kpt #: 389 total cpu time spent up to now is 59.3 secs Computing kpt #: 390 total cpu time spent up to now is 59.4 secs Computing kpt #: 391 total cpu time spent up to now is 59.6 secs Computing kpt #: 392 total cpu time spent up to now is 59.8 secs Computing kpt #: 393 total cpu time spent up to now is 60.0 secs Computing kpt #: 394 total cpu time spent up to now is 60.1 secs Computing kpt #: 395 total cpu time spent up to now is 60.3 secs Computing kpt #: 396 total cpu time spent up to now is 60.5 secs Computing kpt #: 397 total cpu time spent up to now is 60.6 secs Computing kpt #: 398 total cpu time spent up to now is 60.8 secs Computing kpt #: 399 total cpu time spent up to now is 60.9 secs Computing kpt #: 400 total cpu time spent up to now is 61.1 secs Computing kpt #: 401 total cpu time spent up to now is 61.2 secs Computing kpt #: 402 total cpu time spent up to now is 61.3 secs Computing kpt #: 403 total cpu time spent up to now is 61.5 secs Computing kpt #: 404 total cpu time spent up to now is 61.6 secs Computing kpt #: 405 total cpu time spent up to now is 61.7 secs Computing kpt #: 406 total cpu time spent up to now is 61.9 secs Computing kpt #: 407 total cpu time spent up to now is 62.0 secs Computing kpt #: 408 total cpu time spent up to now is 62.2 secs Computing kpt #: 409 total cpu time spent up to now is 62.3 secs Computing kpt #: 410 total cpu time spent up to now is 62.4 secs Computing kpt #: 411 total cpu time spent up to now is 62.6 secs Computing kpt #: 412 total cpu time spent up to now is 62.7 secs Computing kpt #: 413 total cpu time spent up to now is 62.8 secs Computing kpt #: 414 total cpu time spent up to now is 62.9 secs Computing kpt #: 415 total cpu time spent up to now is 63.1 secs Computing kpt #: 416 total cpu time spent up to now is 63.2 secs Computing kpt #: 417 total cpu time spent up to now is 63.3 secs Computing kpt #: 418 total cpu time spent up to now is 63.5 secs Computing kpt #: 419 total cpu time spent up to now is 63.6 secs Computing kpt #: 420 total cpu time spent up to now is 63.7 secs Computing kpt #: 421 total cpu time spent up to now is 63.8 secs Computing kpt #: 422 total cpu time spent up to now is 63.9 secs ethr = 4.17E-08, avg # of iterations = 13.0 total cpu time spent up to now is 63.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0285 -17.0285 -16.4454 -16.4454 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3751 -13.3751 -4.1254 -4.1254 5.4282 5.4282 8.0993 8.0993 9.4362 9.4362 11.0347 11.0347 13.5133 13.5133 14.0915 14.0915 k = 0.0000 0.0109-0.0000 ( 3577 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0286 -17.0286 -16.4453 -16.4453 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3752 -13.3752 -4.1242 -4.1242 5.4292 5.4292 8.0998 8.0998 9.4298 9.4298 11.0218 11.0218 13.5275 13.5275 14.1022 14.1022 k = 0.0000 0.0217-0.0000 ( 3581 PWs) bands (ev): -45.1724 -45.1724 -17.2096 -17.2096 -17.0332 -17.0332 -17.0287 -17.0287 -16.4453 -16.4453 -16.3705 -16.3705 -13.5088 -13.5088 -13.4017 -13.4017 -13.3753 -13.3753 -4.1206 -4.1206 5.4321 5.4321 8.1010 8.1010 9.4102 9.4102 10.9852 10.9852 13.5664 13.5664 14.1359 14.1359 k = 0.0000 0.0326-0.0000 ( 3581 PWs) bands (ev): -45.1724 -45.1724 -17.2096 -17.2096 -17.0332 -17.0332 -17.0288 -17.0288 -16.4451 -16.4451 -16.3705 -16.3705 -13.5084 -13.5084 -13.4016 -13.4016 -13.3755 -13.3755 -4.1146 -4.1146 5.4371 5.4371 8.1028 8.1028 9.3769 9.3769 10.9309 10.9309 13.6201 13.6201 14.1973 14.1973 k = 0.0000 0.0435-0.0000 ( 3581 PWs) bands (ev): -45.1724 -45.1724 -17.2097 -17.2097 -17.0333 -17.0333 -17.0289 -17.0289 -16.4449 -16.4449 -16.3704 -16.3704 -13.5080 -13.5080 -13.4014 -13.4014 -13.3758 -13.3758 -4.1062 -4.1062 5.4439 5.4439 8.1047 8.1047 9.3291 9.3291 10.8667 10.8667 13.6769 13.6769 14.2914 14.2914 k = 0.0000 0.0543-0.0000 ( 3589 PWs) bands (ev): -45.1724 -45.1724 -17.2099 -17.2099 -17.0334 -17.0334 -17.0292 -17.0292 -16.4447 -16.4447 -16.3704 -16.3704 -13.5074 -13.5074 -13.4012 -13.4012 -13.3762 -13.3762 -4.0954 -4.0954 5.4527 5.4527 8.1059 8.1059 9.2665 9.2665 10.8002 10.8002 13.7284 13.7284 14.4197 14.4197 k = 0.0000 0.0652-0.0000 ( 3597 PWs) bands (ev): -45.1724 -45.1724 -17.2101 -17.2101 -17.0336 -17.0336 -17.0294 -17.0294 -16.4444 -16.4444 -16.3703 -16.3703 -13.5067 -13.5067 -13.4009 -13.4009 -13.3767 -13.3767 -4.0822 -4.0822 5.4631 5.4631 8.1051 8.1051 9.1897 9.1897 10.7379 10.7379 13.7721 13.7721 14.5783 14.5783 k = 0.0000 0.0761-0.0000 ( 3597 PWs) bands (ev): -45.1724 -45.1724 -17.2102 -17.2102 -17.0337 -17.0337 -17.0296 -17.0296 -16.4440 -16.4440 -16.3702 -16.3702 -13.5059 -13.5059 -13.4005 -13.4005 -13.3771 -13.3771 -4.0666 -4.0666 5.4752 5.4752 8.1004 8.1004 9.1010 9.1010 10.6839 10.6839 13.8092 13.8092 14.7606 14.7606 k = 0.0000 0.0870-0.0000 ( 3597 PWs) bands (ev): -45.1723 -45.1723 -17.2105 -17.2105 -17.0340 -17.0340 -17.0299 -17.0299 -16.4436 -16.4436 -16.3700 -16.3700 -13.5050 -13.5050 -13.4001 -13.4001 -13.3777 -13.3777 -4.0488 -4.0488 5.4888 5.4888 8.0886 8.0886 9.0049 9.0049 10.6408 10.6408 13.8420 13.8420 14.9590 14.9590 k = 0.0000 0.0978-0.0000 ( 3599 PWs) bands (ev): -45.1723 -45.1723 -17.2107 -17.2107 -17.0343 -17.0343 -17.0301 -17.0301 -16.4431 -16.4431 -16.3699 -16.3699 -13.5039 -13.5039 -13.3997 -13.3997 -13.3784 -13.3784 -4.0286 -4.0286 5.5036 5.5036 8.0653 8.0653 8.9084 8.9084 10.6091 10.6091 13.8726 13.8726 15.1667 15.1667 k = 0.0000 0.1087-0.0000 ( 3599 PWs) bands (ev): -45.1723 -45.1723 -17.2109 -17.2109 -17.0347 -17.0347 -17.0302 -17.0302 -16.4426 -16.4426 -16.3697 -16.3697 -13.5028 -13.5028 -13.3992 -13.3992 -13.3790 -13.3790 -4.0061 -4.0061 5.5195 5.5195 8.0241 8.0241 8.8202 8.8202 10.5883 10.5883 13.9023 13.9023 15.3768 15.3768 k = 0.0000 0.1196-0.0000 ( 3599 PWs) bands (ev): -45.1722 -45.1722 -17.2112 -17.2112 -17.0352 -17.0352 -17.0304 -17.0304 -16.4420 -16.4420 -16.3695 -16.3695 -13.5016 -13.5016 -13.3986 -13.3986 -13.3798 -13.3798 -3.9814 -3.9814 5.5360 5.5360 7.9591 7.9591 8.7495 8.7495 10.5774 10.5774 13.9319 13.9319 15.5812 15.5812 k = 0.0000 0.1304-0.0000 ( 3603 PWs) bands (ev): -45.1722 -45.1722 -17.2115 -17.2115 -17.0357 -17.0357 -17.0305 -17.0305 -16.4415 -16.4415 -16.3693 -16.3693 -13.5003 -13.5003 -13.3980 -13.3980 -13.3805 -13.3805 -3.9544 -3.9544 5.5527 5.5527 7.8675 7.8675 8.7018 8.7018 10.5752 10.5752 13.9620 13.9620 15.7678 15.7678 k = 0.0000 0.1413-0.0000 ( 3599 PWs) bands (ev): -45.1721 -45.1721 -17.2119 -17.2119 -17.0363 -17.0363 -17.0305 -17.0305 -16.4408 -16.4408 -16.3690 -16.3690 -13.4989 -13.4989 -13.3973 -13.3973 -13.3813 -13.3813 -3.9253 -3.9253 5.5691 5.5691 7.7517 7.7517 8.6775 8.6775 10.5804 10.5804 13.9928 13.9928 15.9167 15.9167 k = 0.0000 0.1522-0.0000 ( 3597 PWs) bands (ev): -45.1721 -45.1721 -17.2122 -17.2122 -17.0370 -17.0370 -17.0306 -17.0306 -16.4402 -16.4402 -16.3688 -16.3688 -13.4975 -13.4975 -13.3967 -13.3967 -13.3820 -13.3820 -3.8941 -3.8941 5.5842 5.5842 7.6182 7.6182 8.6727 8.6727 10.5920 10.5920 14.0246 14.0246 15.9902 15.9902 k = 0.0000 0.1630-0.0000 ( 3603 PWs) bands (ev): -45.1720 -45.1720 -17.2126 -17.2126 -17.0378 -17.0378 -17.0306 -17.0306 -16.4395 -16.4395 -16.3686 -16.3686 -13.4961 -13.4961 -13.3960 -13.3960 -13.3828 -13.3828 -3.8608 -3.8608 5.5971 5.5971 7.4741 7.4741 8.6828 8.6828 10.6091 10.6091 14.0573 14.0573 15.9452 15.9452 k = 0.0000 0.1739-0.0000 ( 3599 PWs) bands (ev): -45.1720 -45.1720 -17.2130 -17.2130 -17.0386 -17.0386 -17.0306 -17.0306 -16.4388 -16.4388 -16.3683 -16.3683 -13.4946 -13.4946 -13.3954 -13.3954 -13.3834 -13.3834 -3.8255 -3.8255 5.6063 5.6063 7.3257 7.3257 8.7039 8.7039 10.6310 10.6310 14.0909 14.0909 15.8115 15.8115 k = 0.0000 0.1848-0.0000 ( 3611 PWs) bands (ev): -45.1719 -45.1719 -17.2134 -17.2134 -17.0394 -17.0394 -17.0306 -17.0306 -16.4382 -16.4382 -16.3680 -16.3680 -13.4932 -13.4932 -13.3949 -13.3949 -13.3840 -13.3840 -3.7882 -3.7882 5.6097 5.6097 7.1787 7.1787 8.7336 8.7336 10.6569 10.6569 14.1249 14.1249 15.6450 15.6450 k = 0.0000 0.1957-0.0000 ( 3603 PWs) bands (ev): -45.1718 -45.1718 -17.2138 -17.2138 -17.0403 -17.0403 -17.0305 -17.0305 -16.4374 -16.4374 -16.3677 -16.3677 -13.4916 -13.4916 -13.3944 -13.3944 -13.3844 -13.3844 -3.7491 -3.7491 5.6047 5.6047 7.0383 7.0383 8.7699 8.7699 10.6864 10.6864 14.1591 14.1591 15.4687 15.4687 k = 0.0000 0.2065-0.0000 ( 3607 PWs) bands (ev): -45.1718 -45.1718 -17.2143 -17.2143 -17.0411 -17.0411 -17.0305 -17.0305 -16.4367 -16.4367 -16.3674 -16.3674 -13.4902 -13.4902 -13.3941 -13.3941 -13.3846 -13.3846 -3.7082 -3.7082 5.5879 5.5879 6.9096 6.9096 8.8118 8.8118 10.7191 10.7191 14.1927 14.1927 15.2900 15.2900 k = 0.0000 0.2174-0.0000 ( 3615 PWs) bands (ev): -45.1717 -45.1717 -17.2148 -17.2148 -17.0421 -17.0421 -17.0305 -17.0305 -16.4361 -16.4361 -16.3671 -16.3671 -13.4887 -13.4887 -13.3942 -13.3942 -13.3844 -13.3844 -3.6656 -3.6656 5.5554 5.5554 6.7979 6.7979 8.8583 8.8583 10.7544 10.7544 14.2248 14.2248 15.1120 15.1120 k = 0.0000 0.2283-0.0000 ( 3615 PWs) bands (ev): -45.1717 -45.1717 -17.2152 -17.2152 -17.0430 -17.0430 -17.0304 -17.0304 -16.4354 -16.4354 -16.3667 -16.3667 -13.4873 -13.4873 -13.3944 -13.3944 -13.3839 -13.3839 -3.6215 -3.6215 5.5038 5.5038 6.7074 6.7074 8.9090 8.9090 10.7921 10.7921 14.2539 14.2539 14.9360 14.9360 k = 0.0000 0.2391-0.0000 ( 3613 PWs) bands (ev): -45.1716 -45.1716 -17.2157 -17.2157 -17.0439 -17.0439 -17.0303 -17.0303 -16.4347 -16.4347 -16.3663 -16.3663 -13.4859 -13.4859 -13.3948 -13.3948 -13.3831 -13.3831 -3.5759 -3.5759 5.4313 5.4313 6.6408 6.6408 8.9634 8.9634 10.8318 10.8318 14.2778 14.2778 14.7629 14.7629 k = 0.0000 0.2500-0.0000 ( 3609 PWs) bands (ev): -45.1715 -45.1715 -17.2162 -17.2162 -17.0448 -17.0448 -17.0302 -17.0302 -16.4340 -16.4340 -16.3659 -16.3659 -13.4846 -13.4846 -13.3954 -13.3954 -13.3821 -13.3821 -3.5290 -3.5290 5.3386 5.3386 6.5978 6.5978 9.0213 9.0213 10.8732 10.8732 14.2929 14.2929 14.5937 14.5937 k = 0.0000 0.2609-0.0000 ( 3605 PWs) bands (ev): -45.1715 -45.1715 -17.2167 -17.2167 -17.0457 -17.0457 -17.0301 -17.0301 -16.4333 -16.4333 -16.3655 -16.3655 -13.4834 -13.4834 -13.3961 -13.3961 -13.3809 -13.3809 -3.4809 -3.4809 5.2288 5.2288 6.5758 6.5758 9.0823 9.0823 10.9161 10.9161 14.2928 14.2928 14.4307 14.4307 k = 0.0000 0.2717-0.0000 ( 3603 PWs) bands (ev): -45.1714 -45.1714 -17.2172 -17.2172 -17.0466 -17.0466 -17.0301 -17.0301 -16.4326 -16.4326 -16.3651 -16.3651 -13.4822 -13.4822 -13.3968 -13.3968 -13.3796 -13.3796 -3.4319 -3.4319 5.1062 5.1062 6.5711 6.5711 9.1464 9.1464 10.9601 10.9601 14.2408 14.2408 14.3055 14.3055 k = 0.0000 0.2826-0.0000 ( 3601 PWs) bands (ev): -45.1713 -45.1713 -17.2176 -17.2176 -17.0475 -17.0475 -17.0300 -17.0300 -16.4320 -16.4320 -16.3647 -16.3647 -13.4811 -13.4811 -13.3976 -13.3976 -13.3782 -13.3782 -3.3820 -3.3820 4.9748 4.9748 6.5796 6.5796 9.2132 9.2132 11.0050 11.0050 14.0963 14.0963 14.2543 14.2543 k = 0.0000 0.2935-0.0000 ( 3603 PWs) bands (ev): -45.1713 -45.1713 -17.2182 -17.2182 -17.0484 -17.0484 -17.0299 -17.0299 -16.4314 -16.4314 -16.3643 -16.3643 -13.4801 -13.4801 -13.3983 -13.3983 -13.3768 -13.3768 -3.3314 -3.3314 4.8384 4.8384 6.5981 6.5981 9.2827 9.2827 11.0504 11.0504 13.9442 13.9442 14.1899 14.1899 k = 0.0000 0.3043-0.0000 ( 3603 PWs) bands (ev): -45.1712 -45.1712 -17.2187 -17.2187 -17.0493 -17.0493 -17.0298 -17.0298 -16.4308 -16.4308 -16.3639 -16.3639 -13.4791 -13.4791 -13.3991 -13.3991 -13.3753 -13.3753 -3.2805 -3.2805 4.6997 4.6997 6.6240 6.6240 9.3547 9.3547 11.0961 11.0961 13.7953 13.7953 14.1037 14.1037 k = 0.0000 0.3152-0.0000 ( 3607 PWs) bands (ev): -45.1712 -45.1712 -17.2192 -17.2192 -17.0501 -17.0501 -17.0297 -17.0297 -16.4303 -16.4303 -16.3636 -16.3636 -13.4783 -13.4783 -13.3998 -13.3998 -13.3737 -13.3737 -3.2294 -3.2294 4.5609 4.5609 6.6551 6.6551 9.4291 9.4291 11.1417 11.1417 13.6510 13.6510 13.9997 13.9997 k = 0.0000 0.3261-0.0000 ( 3603 PWs) bands (ev): -45.1711 -45.1711 -17.2196 -17.2196 -17.0509 -17.0509 -17.0296 -17.0296 -16.4298 -16.4298 -16.3631 -16.3631 -13.4775 -13.4775 -13.4005 -13.4005 -13.3722 -13.3722 -3.1784 -3.1784 4.4238 4.4238 6.6900 6.6900 9.5056 9.5056 11.1870 11.1870 13.5117 13.5117 13.8832 13.8832 k = 0.0000 0.3370-0.0000 ( 3593 PWs) bands (ev): -45.1710 -45.1710 -17.2201 -17.2201 -17.0516 -17.0516 -17.0295 -17.0295 -16.4292 -16.4292 -16.3627 -16.3627 -13.4768 -13.4768 -13.4011 -13.4011 -13.3706 -13.3706 -3.1277 -3.1277 4.2896 4.2896 6.7276 6.7276 9.5841 9.5841 11.2315 11.2315 13.3777 13.3777 13.7590 13.7590 k = 0.0000 0.3478-0.0000 ( 3593 PWs) bands (ev): -45.1710 -45.1710 -17.2205 -17.2205 -17.0524 -17.0524 -17.0294 -17.0294 -16.4288 -16.4288 -16.3623 -16.3623 -13.4762 -13.4762 -13.4017 -13.4017 -13.3691 -13.3691 -3.0778 -3.0778 4.1596 4.1596 6.7667 6.7667 9.6644 9.6644 11.2749 11.2749 13.2495 13.2495 13.6307 13.6307 k = 0.0000 0.3587-0.0000 ( 3597 PWs) bands (ev): -45.1709 -45.1709 -17.2210 -17.2210 -17.0531 -17.0531 -17.0294 -17.0294 -16.4284 -16.4284 -16.3620 -16.3620 -13.4757 -13.4757 -13.4023 -13.4023 -13.3676 -13.3676 -3.0288 -3.0288 4.0345 4.0345 6.8066 6.8066 9.7463 9.7463 11.3168 11.3168 13.1272 13.1272 13.5010 13.5010 k = 0.0000 0.3696-0.0000 ( 3597 PWs) bands (ev): -45.1709 -45.1709 -17.2214 -17.2214 -17.0537 -17.0537 -17.0293 -17.0293 -16.4280 -16.4280 -16.3616 -16.3616 -13.4753 -13.4753 -13.4028 -13.4028 -13.3661 -13.3661 -2.9812 -2.9812 3.9153 3.9153 6.8466 6.8466 9.8293 9.8293 11.3569 11.3569 13.0112 13.0112 13.3718 13.3718 k = 0.0000 0.3804-0.0000 ( 3601 PWs) bands (ev): -45.1708 -45.1708 -17.2218 -17.2218 -17.0544 -17.0544 -17.0293 -17.0293 -16.4276 -16.4276 -16.3613 -16.3613 -13.4750 -13.4750 -13.4033 -13.4033 -13.3648 -13.3648 -2.9354 -2.9354 3.8026 3.8026 6.8860 6.8860 9.9133 9.9133 11.3945 11.3945 12.9018 12.9018 13.2450 13.2450 k = 0.0000 0.3913-0.0000 ( 3595 PWs) bands (ev): -45.1708 -45.1708 -17.2222 -17.2222 -17.0549 -17.0549 -17.0292 -17.0292 -16.4273 -16.4273 -16.3610 -16.3610 -13.4746 -13.4746 -13.4037 -13.4037 -13.3634 -13.3634 -2.8916 -2.8916 3.6972 3.6972 6.9243 6.9243 9.9976 9.9976 11.4293 11.4293 12.7993 12.7993 13.1219 13.1219 k = 0.0000 0.4022-0.0000 ( 3591 PWs) bands (ev): -45.1708 -45.1708 -17.2225 -17.2225 -17.0554 -17.0554 -17.0291 -17.0291 -16.4270 -16.4270 -16.3607 -16.3607 -13.4744 -13.4744 -13.4040 -13.4040 -13.3622 -13.3622 -2.8503 -2.8503 3.5996 3.5996 6.9608 6.9608 10.0817 10.0817 11.4608 11.4608 12.7040 12.7040 13.0039 13.0039 k = 0.0000 0.4130-0.0000 ( 3591 PWs) bands (ev): -45.1707 -45.1707 -17.2228 -17.2228 -17.0559 -17.0559 -17.0290 -17.0290 -16.4267 -16.4267 -16.3604 -16.3604 -13.4741 -13.4741 -13.4044 -13.4044 -13.3610 -13.3610 -2.8120 -2.8120 3.5105 3.5105 6.9952 6.9952 10.1649 10.1649 11.4882 11.4882 12.6162 12.6162 12.8926 12.8926 k = 0.0000 0.4239-0.0000 ( 3583 PWs) bands (ev): -45.1707 -45.1707 -17.2231 -17.2231 -17.0562 -17.0562 -17.0290 -17.0290 -16.4265 -16.4265 -16.3601 -16.3601 -13.4739 -13.4739 -13.4046 -13.4046 -13.3600 -13.3600 -2.7770 -2.7770 3.4304 3.4304 7.0268 7.0268 10.2461 10.2461 11.5111 11.5111 12.5364 12.5364 12.7895 12.7895 k = 0.0000 0.4348-0.0000 ( 3579 PWs) bands (ev): -45.1706 -45.1706 -17.2233 -17.2233 -17.0566 -17.0566 -17.0289 -17.0289 -16.4262 -16.4262 -16.3599 -16.3599 -13.4738 -13.4738 -13.4048 -13.4048 -13.3590 -13.3590 -2.7457 -2.7457 3.3598 3.3598 7.0553 7.0553 10.3242 10.3242 11.5289 11.5289 12.4649 12.4649 12.6962 12.6962 k = 0.0000 0.4457-0.0000 ( 3583 PWs) bands (ev): -45.1706 -45.1706 -17.2235 -17.2235 -17.0569 -17.0569 -17.0289 -17.0289 -16.4261 -16.4261 -16.3597 -16.3597 -13.4737 -13.4737 -13.4051 -13.4051 -13.3583 -13.3583 -2.7185 -2.7185 3.2991 3.2991 7.0802 7.0802 10.3974 10.3974 11.5413 11.5413 12.4024 12.4024 12.6145 12.6145 k = 0.0000 0.4565-0.0000 ( 3577 PWs) bands (ev): -45.1706 -45.1706 -17.2237 -17.2237 -17.0571 -17.0571 -17.0289 -17.0289 -16.4259 -16.4259 -16.3596 -16.3596 -13.4736 -13.4736 -13.4052 -13.4052 -13.3576 -13.3576 -2.6957 -2.6957 3.2489 3.2489 7.1012 7.1012 10.4635 10.4635 11.5483 11.5483 12.3498 12.3498 12.5457 12.5457 k = 0.0000 0.4674-0.0000 ( 3583 PWs) bands (ev): -45.1706 -45.1706 -17.2238 -17.2238 -17.0573 -17.0573 -17.0289 -17.0289 -16.4258 -16.4258 -16.3595 -16.3595 -13.4736 -13.4736 -13.4054 -13.4054 -13.3571 -13.3571 -2.6776 -2.6776 3.2095 3.2095 7.1178 7.1178 10.5199 10.5199 11.5505 11.5505 12.3079 12.3079 12.4912 12.4912 k = 0.0000 0.4783-0.0000 ( 3587 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0575 -17.0575 -17.0289 -17.0289 -16.4258 -16.4258 -16.3594 -16.3594 -13.4736 -13.4736 -13.4055 -13.4055 -13.3567 -13.3567 -2.6645 -2.6645 3.1811 3.1811 7.1299 7.1299 10.5635 10.5635 11.5497 11.5497 12.2775 12.2775 12.4518 12.4518 k = 0.0000 0.4891-0.0000 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0575 -17.0575 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4736 -13.4736 -13.4055 -13.4055 -13.3565 -13.3565 -2.6566 -2.6566 3.1639 3.1639 7.1372 7.1372 10.5914 10.5914 11.5478 11.5478 12.2591 12.2591 12.4279 12.4279 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4736 -13.4736 -13.4056 -13.4056 -13.3564 -13.3564 -2.6539 -2.6539 3.1582 3.1582 7.1397 7.1397 10.6009 10.6009 11.5469 11.5469 12.2530 12.2530 12.4199 12.4199 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4736 -13.4736 -13.4056 -13.4056 -13.3564 -13.3564 -2.6539 -2.6539 3.1582 3.1582 7.1397 7.1397 10.6009 10.6009 11.5469 11.5469 12.2530 12.2530 12.4199 12.4199 k = 0.0109 0.5000-0.0000 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4735 -13.4735 -13.4056 -13.4056 -13.3564 -13.3564 -2.6528 -2.6528 3.1595 3.1595 7.1408 7.1408 10.6001 10.6001 11.5372 11.5372 12.2542 12.2542 12.4173 12.4173 k = 0.0217 0.5000-0.0000 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2241 -17.2241 -17.0576 -17.0576 -17.0289 -17.0289 -16.4256 -16.4256 -16.3594 -16.3594 -13.4732 -13.4732 -13.4056 -13.4056 -13.3565 -13.3565 -2.6494 -2.6494 3.1634 3.1634 7.1442 7.1442 10.5972 10.5972 11.5083 11.5083 12.2576 12.2576 12.4103 12.4103 k = 0.0326 0.5000-0.0000 ( 3584 PWs) bands (ev): -45.1706 -45.1706 -17.2241 -17.2241 -17.0576 -17.0576 -17.0291 -17.0291 -16.4254 -16.4254 -16.3594 -16.3594 -13.4728 -13.4728 -13.4057 -13.4057 -13.3565 -13.3565 -2.6437 -2.6437 3.1699 3.1699 7.1499 7.1499 10.5914 10.5914 11.4610 11.4610 12.2633 12.2633 12.4010 12.4010 k = 0.0435 0.5000-0.0000 ( 3588 PWs) bands (ev): -45.1705 -45.1705 -17.2241 -17.2241 -17.0576 -17.0576 -17.0292 -17.0292 -16.4252 -16.4252 -16.3594 -16.3594 -13.4723 -13.4723 -13.4059 -13.4059 -13.3566 -13.3566 -2.6357 -2.6357 3.1790 3.1790 7.1578 7.1578 10.5809 10.5809 11.3977 11.3977 12.2713 12.2713 12.3919 12.3919 k = 0.0543 0.5000-0.0000 ( 3588 PWs) bands (ev): -45.1705 -45.1705 -17.2242 -17.2242 -17.0576 -17.0576 -17.0294 -17.0294 -16.4249 -16.4249 -16.3595 -16.3595 -13.4715 -13.4715 -13.4060 -13.4060 -13.3568 -13.3568 -2.6255 -2.6255 3.1906 3.1906 7.1679 7.1679 10.5627 10.5627 11.3227 11.3227 12.2816 12.2816 12.3854 12.3854 k = 0.0652 0.5000-0.0000 ( 3584 PWs) bands (ev): -45.1705 -45.1705 -17.2243 -17.2243 -17.0575 -17.0575 -17.0297 -17.0297 -16.4245 -16.4245 -16.3596 -16.3596 -13.4707 -13.4707 -13.4062 -13.4062 -13.3569 -13.3569 -2.6130 -2.6130 3.2047 3.2047 7.1800 7.1800 10.5321 10.5321 11.2428 11.2428 12.2942 12.2942 12.3828 12.3828 k = 0.0761 0.5000-0.0000 ( 3580 PWs) bands (ev): -45.1705 -45.1705 -17.2243 -17.2243 -17.0575 -17.0575 -17.0299 -17.0299 -16.4241 -16.4241 -16.3597 -16.3597 -13.4697 -13.4697 -13.4064 -13.4064 -13.3570 -13.3570 -2.5983 -2.5983 3.2214 3.2214 7.1940 7.1940 10.4828 10.4828 11.1671 11.1671 12.3091 12.3091 12.3848 12.3848 k = 0.0870 0.5000-0.0000 ( 3576 PWs) bands (ev): -45.1704 -45.1704 -17.2244 -17.2244 -17.0575 -17.0575 -17.0302 -17.0302 -16.4236 -16.4236 -16.3598 -16.3598 -13.4685 -13.4685 -13.4067 -13.4067 -13.3572 -13.3572 -2.5814 -2.5814 3.2405 3.2405 7.2098 7.2098 10.4086 10.4086 11.1051 11.1051 12.3262 12.3262 12.3916 12.3916 k = 0.0978 0.5000-0.0000 ( 3568 PWs) bands (ev): -45.1704 -45.1704 -17.2245 -17.2245 -17.0575 -17.0575 -17.0306 -17.0306 -16.4231 -16.4231 -16.3599 -16.3599 -13.4673 -13.4673 -13.4069 -13.4069 -13.3573 -13.3573 -2.5623 -2.5623 3.2620 3.2620 7.2272 7.2272 10.3068 10.3068 11.0622 11.0622 12.3457 12.3457 12.4028 12.4028 k = 0.1087 0.5000-0.0000 ( 3576 PWs) bands (ev): -45.1704 -45.1704 -17.2247 -17.2247 -17.0575 -17.0575 -17.0310 -17.0310 -16.4225 -16.4225 -16.3600 -16.3600 -13.4660 -13.4660 -13.4072 -13.4072 -13.3575 -13.3575 -2.5410 -2.5410 3.2859 3.2859 7.2459 7.2459 10.1800 10.1800 11.0387 11.0387 12.3674 12.3674 12.4182 12.4182 k = 0.1196 0.5000-0.0000 ( 3580 PWs) bands (ev): -45.1703 -45.1703 -17.2248 -17.2248 -17.0575 -17.0575 -17.0314 -17.0314 -16.4219 -16.4219 -16.3602 -16.3602 -13.4646 -13.4646 -13.4075 -13.4075 -13.3578 -13.3578 -2.5176 -2.5176 3.3121 3.3121 7.2657 7.2657 10.0341 10.0341 11.0313 11.0313 12.3914 12.3914 12.4374 12.4374 k = 0.1304 0.5000-0.0000 ( 3580 PWs) bands (ev): -45.1703 -45.1703 -17.2250 -17.2250 -17.0575 -17.0575 -17.0318 -17.0318 -16.4213 -16.4213 -16.3603 -16.3603 -13.4632 -13.4632 -13.4077 -13.4077 -13.3580 -13.3580 -2.4921 -2.4921 3.3406 3.3406 7.2860 7.2860 9.8753 9.8753 11.0360 11.0360 12.4177 12.4177 12.4598 12.4598 k = 0.1413 0.5000-0.0000 ( 3582 PWs) bands (ev): -45.1702 -45.1702 -17.2252 -17.2252 -17.0576 -17.0576 -17.0323 -17.0323 -16.4206 -16.4206 -16.3605 -16.3605 -13.4617 -13.4617 -13.4078 -13.4078 -13.3582 -13.3582 -2.4646 -2.4646 3.3712 3.3712 7.3063 7.3063 9.7086 9.7086 11.0499 11.0499 12.4462 12.4462 12.4851 12.4851 k = 0.1522 0.5000-0.0000 ( 3590 PWs) bands (ev): -45.1702 -45.1702 -17.2254 -17.2254 -17.0577 -17.0577 -17.0328 -17.0328 -16.4199 -16.4199 -16.3607 -16.3607 -13.4603 -13.4603 -13.4080 -13.4080 -13.3584 -13.3584 -2.4350 -2.4350 3.4039 3.4039 7.3258 7.3258 9.5383 9.5383 11.0707 11.0707 12.4770 12.4770 12.5128 12.5128 k = 0.1630 0.5000-0.0000 ( 3594 PWs) bands (ev): -45.1701 -45.1701 -17.2256 -17.2256 -17.0578 -17.0578 -17.0333 -17.0333 -16.4192 -16.4192 -16.3609 -16.3609 -13.4589 -13.4589 -13.4080 -13.4080 -13.3586 -13.3586 -2.4035 -2.4035 3.4386 3.4386 7.3436 7.3436 9.3678 9.3678 11.0972 11.0972 12.5100 12.5100 12.5423 12.5423 k = 0.1739 0.5000-0.0000 ( 3594 PWs) bands (ev): -45.1701 -45.1701 -17.2258 -17.2258 -17.0579 -17.0579 -17.0337 -17.0337 -16.4184 -16.4184 -16.3611 -16.3611 -13.4575 -13.4575 -13.4078 -13.4078 -13.3588 -13.3588 -2.3700 -2.3700 3.4752 3.4752 7.3582 7.3582 9.2002 9.2002 11.1284 11.1284 12.5450 12.5450 12.5727 12.5727 k = 0.1848 0.5000-0.0000 ( 3590 PWs) bands (ev): -45.1700 -45.1700 -17.2260 -17.2260 -17.0580 -17.0580 -17.0341 -17.0341 -16.4176 -16.4176 -16.3612 -16.3612 -13.4563 -13.4563 -13.4075 -13.4075 -13.3590 -13.3590 -2.3348 -2.3348 3.5136 3.5136 7.3677 7.3677 9.0389 9.0389 11.1638 11.1638 12.5817 12.5817 12.6031 12.6031 k = 0.1957 0.5000-0.0000 ( 3582 PWs) bands (ev): -45.1700 -45.1700 -17.2262 -17.2262 -17.0581 -17.0581 -17.0345 -17.0345 -16.4168 -16.4168 -16.3614 -16.3614 -13.4551 -13.4551 -13.4070 -13.4070 -13.3591 -13.3591 -2.2977 -2.2977 3.5535 3.5535 7.3696 7.3696 8.8875 8.8875 11.2028 11.2028 12.6173 12.6173 12.6330 12.6330 k = 0.2065 0.5000-0.0000 ( 3578 PWs) bands (ev): -45.1699 -45.1699 -17.2264 -17.2264 -17.0583 -17.0583 -17.0348 -17.0348 -16.4159 -16.4159 -16.3616 -16.3616 -13.4541 -13.4541 -13.4064 -13.4064 -13.3593 -13.3593 -2.2590 -2.2590 3.5949 3.5949 7.3607 7.3607 8.7500 8.7500 11.2452 11.2452 12.6380 12.6380 12.6695 12.6695 k = 0.2174 0.5000-0.0000 ( 3586 PWs) bands (ev): -45.1698 -45.1698 -17.2267 -17.2267 -17.0585 -17.0585 -17.0352 -17.0352 -16.4152 -16.4152 -16.3618 -16.3618 -13.4534 -13.4534 -13.4055 -13.4055 -13.3595 -13.3595 -2.2188 -2.2188 3.6377 3.6377 7.3371 7.3371 8.6310 8.6310 11.2908 11.2908 12.6277 12.6277 12.7126 12.7126 k = 0.2283 0.5000-0.0000 ( 3580 PWs) bands (ev): -45.1698 -45.1698 -17.2270 -17.2270 -17.0587 -17.0587 -17.0356 -17.0356 -16.4143 -16.4143 -16.3619 -16.3619 -13.4527 -13.4527 -13.4044 -13.4044 -13.3596 -13.3596 -2.1770 -2.1770 3.6815 3.6815 7.2953 7.2953 8.5345 8.5345 11.3393 11.3393 12.5651 12.5651 12.7589 12.7589 k = 0.2391 0.5000-0.0000 ( 3584 PWs) bands (ev): -45.1697 -45.1697 -17.2273 -17.2273 -17.0590 -17.0590 -17.0359 -17.0359 -16.4135 -16.4135 -16.3621 -16.3621 -13.4524 -13.4524 -13.4031 -13.4031 -13.3597 -13.3597 -2.1339 -2.1339 3.7261 3.7261 7.2331 7.2331 8.4634 8.4634 11.3906 11.3906 12.4482 12.4482 12.8077 12.8077 k = 0.2500 0.5000-0.0000 ( 3582 PWs) bands (ev): -45.1696 -45.1696 -17.2275 -17.2275 -17.0593 -17.0593 -17.0361 -17.0361 -16.4128 -16.4128 -16.3623 -16.3623 -13.4523 -13.4523 -13.4016 -13.4016 -13.3598 -13.3598 -2.0895 -2.0895 3.7714 3.7714 7.1508 7.1508 8.4177 8.4177 11.4445 11.4445 12.3022 12.3022 12.8588 12.8588 k = 0.2609 0.5000-0.0000 ( 3582 PWs) bands (ev): -45.1696 -45.1696 -17.2278 -17.2278 -17.0596 -17.0596 -17.0364 -17.0364 -16.4120 -16.4120 -16.3625 -16.3625 -13.4523 -13.4523 -13.3999 -13.3999 -13.3599 -13.3599 -2.0440 -2.0440 3.8171 3.8171 7.0512 7.0512 8.3950 8.3950 11.5004 11.5004 12.1460 12.1460 12.9122 12.9122 k = 0.2717 0.5000-0.0000 ( 3574 PWs) bands (ev): -45.1695 -45.1695 -17.2281 -17.2281 -17.0599 -17.0599 -17.0366 -17.0366 -16.4112 -16.4112 -16.3626 -16.3626 -13.4525 -13.4525 -13.3979 -13.3979 -13.3600 -13.3600 -1.9977 -1.9977 3.8627 3.8627 6.9388 6.9388 8.3914 8.3914 11.5571 11.5571 11.9889 11.9889 12.9678 12.9678 k = 0.2826 0.5000-0.0000 ( 3578 PWs) bands (ev): -45.1695 -45.1695 -17.2284 -17.2284 -17.0603 -17.0603 -17.0368 -17.0368 -16.4105 -16.4105 -16.3627 -16.3627 -13.4528 -13.4528 -13.3959 -13.3959 -13.3601 -13.3601 -1.9505 -1.9505 3.9080 3.9080 6.8180 6.8180 8.4027 8.4027 11.6087 11.6087 11.8404 11.8404 13.0256 13.0256 k = 0.2935 0.5000-0.0000 ( 3578 PWs) bands (ev): -45.1694 -45.1694 -17.2287 -17.2287 -17.0607 -17.0607 -17.0369 -17.0369 -16.4098 -16.4098 -16.3629 -16.3629 -13.4533 -13.4533 -13.3938 -13.3938 -13.3601 -13.3601 -1.9028 -1.9028 3.9526 3.9526 6.6930 6.6930 8.4251 8.4251 11.6064 11.6064 11.7510 11.7510 13.0855 13.0855 k = 0.3043 0.5000-0.0000 ( 3578 PWs) bands (ev): -45.1693 -45.1693 -17.2290 -17.2290 -17.0611 -17.0611 -17.0371 -17.0371 -16.4091 -16.4091 -16.3630 -16.3630 -13.4539 -13.4539 -13.3916 -13.3916 -13.3602 -13.3602 -1.8547 -1.8547 3.9959 3.9959 6.5671 6.5671 8.4558 8.4558 11.4877 11.4877 11.7842 11.7842 13.1475 13.1475 k = 0.3152 0.5000-0.0000 ( 3574 PWs) bands (ev): -45.1693 -45.1693 -17.2292 -17.2292 -17.0615 -17.0615 -17.0371 -17.0371 -16.4084 -16.4084 -16.3631 -16.3631 -13.4546 -13.4546 -13.3894 -13.3894 -13.3602 -13.3602 -1.8064 -1.8064 4.0374 4.0374 6.4429 6.4429 8.4926 8.4926 11.3453 11.3453 11.8481 11.8481 13.2115 13.2115 k = 0.3261 0.5000-0.0000 ( 3574 PWs) bands (ev): -45.1692 -45.1692 -17.2295 -17.2295 -17.0619 -17.0619 -17.0372 -17.0372 -16.4078 -16.4078 -16.3632 -16.3632 -13.4553 -13.4553 -13.3871 -13.3871 -13.3602 -13.3602 -1.7583 -1.7583 4.0767 4.0767 6.3225 6.3225 8.5338 8.5338 11.2031 11.2031 11.9191 11.9191 13.2774 13.2774 k = 0.3370 0.5000-0.0000 ( 3570 PWs) bands (ev): -45.1692 -45.1692 -17.2298 -17.2298 -17.0623 -17.0623 -17.0373 -17.0373 -16.4072 -16.4072 -16.3633 -16.3633 -13.4561 -13.4561 -13.3849 -13.3849 -13.3602 -13.3602 -1.7106 -1.7106 4.1130 4.1130 6.2076 6.2076 8.5779 8.5779 11.0647 11.0647 11.9942 11.9942 13.3450 13.3450 k = 0.3478 0.5000-0.0000 ( 3570 PWs) bands (ev): -45.1691 -45.1691 -17.2301 -17.2301 -17.0627 -17.0627 -17.0373 -17.0373 -16.4066 -16.4066 -16.3634 -16.3634 -13.4569 -13.4569 -13.3827 -13.3827 -13.3602 -13.3602 -1.6635 -1.6635 4.1456 4.1456 6.0998 6.0998 8.6241 8.6241 10.9313 10.9313 12.0723 12.0723 13.4139 13.4139 k = 0.3587 0.5000-0.0000 ( 3566 PWs) bands (ev): -45.1691 -45.1691 -17.2303 -17.2303 -17.0630 -17.0630 -17.0373 -17.0373 -16.4061 -16.4061 -16.3634 -16.3634 -13.4577 -13.4577 -13.3805 -13.3805 -13.3602 -13.3602 -1.6175 -1.6175 4.1741 4.1741 6.0004 6.0004 8.6713 8.6713 10.8037 10.8037 12.1532 12.1532 13.4820 13.4820 k = 0.3696 0.5000-0.0000 ( 3562 PWs) bands (ev): -45.1690 -45.1690 -17.2306 -17.2306 -17.0634 -17.0634 -17.0373 -17.0373 -16.4056 -16.4056 -16.3635 -16.3635 -13.4585 -13.4585 -13.3784 -13.3784 -13.3601 -13.3601 -1.5727 -1.5727 4.1976 4.1976 5.9103 5.9103 8.7187 8.7187 10.6824 10.6824 12.2366 12.2366 13.5402 13.5402 k = 0.3804 0.5000-0.0000 ( 3564 PWs) bands (ev): -45.1690 -45.1690 -17.2308 -17.2308 -17.0638 -17.0638 -17.0373 -17.0373 -16.4052 -16.4052 -16.3635 -16.3635 -13.4593 -13.4593 -13.3764 -13.3764 -13.3601 -13.3601 -1.5296 -1.5296 4.2158 4.2158 5.8304 5.8304 8.7658 8.7658 10.5679 10.5679 12.3224 12.3224 13.5905 13.5905 k = 0.3913 0.5000-0.0000 ( 3564 PWs) bands (ev): -45.1689 -45.1689 -17.2310 -17.2310 -17.0641 -17.0641 -17.0372 -17.0372 -16.4048 -16.4048 -16.3636 -16.3636 -13.4601 -13.4601 -13.3746 -13.3746 -13.3600 -13.3600 -1.4885 -1.4885 4.2284 4.2284 5.7611 5.7611 8.8119 8.8119 10.4607 10.4607 12.4104 12.4104 13.6375 13.6375 k = 0.4022 0.5000-0.0000 ( 3556 PWs) bands (ev): -45.1689 -45.1689 -17.2312 -17.2312 -17.0644 -17.0644 -17.0372 -17.0372 -16.4044 -16.4044 -16.3636 -16.3636 -13.4607 -13.4607 -13.3729 -13.3729 -13.3599 -13.3599 -1.4499 -1.4499 4.2355 4.2355 5.7027 5.7027 8.8562 8.8562 10.3612 10.3612 12.5004 12.5004 13.6813 13.6813 k = 0.4130 0.5000-0.0000 ( 3552 PWs) bands (ev): -45.1688 -45.1688 -17.2314 -17.2314 -17.0647 -17.0647 -17.0372 -17.0372 -16.4041 -16.4041 -16.3636 -16.3636 -13.4614 -13.4614 -13.3714 -13.3714 -13.3598 -13.3598 -1.4140 -1.4140 4.2373 4.2373 5.6548 5.6548 8.8984 8.8984 10.2700 10.2700 12.5920 12.5920 13.7215 13.7215 k = 0.4239 0.5000-0.0000 ( 3552 PWs) bands (ev): -45.1688 -45.1688 -17.2316 -17.2316 -17.0650 -17.0650 -17.0371 -17.0371 -16.4038 -16.4038 -16.3636 -16.3636 -13.4620 -13.4620 -13.3700 -13.3700 -13.3597 -13.3597 -1.3812 -1.3812 4.2347 4.2347 5.6168 5.6168 8.9376 8.9376 10.1875 10.1875 12.6847 12.6847 13.7573 13.7573 k = 0.4348 0.5000-0.0000 ( 3556 PWs) bands (ev): -45.1688 -45.1688 -17.2318 -17.2318 -17.0652 -17.0652 -17.0371 -17.0371 -16.4036 -16.4036 -16.3636 -16.3636 -13.4625 -13.4625 -13.3689 -13.3689 -13.3596 -13.3596 -1.3519 -1.3519 4.2288 4.2288 5.5876 5.5876 8.9735 8.9735 10.1143 10.1143 12.7780 12.7780 13.7877 13.7877 k = 0.4457 0.5000-0.0000 ( 3552 PWs) bands (ev): -45.1688 -45.1688 -17.2319 -17.2319 -17.0654 -17.0654 -17.0371 -17.0371 -16.4033 -16.4033 -16.3636 -16.3636 -13.4630 -13.4630 -13.3679 -13.3679 -13.3595 -13.3595 -1.3265 -1.3265 4.2208 4.2208 5.5660 5.5660 9.0053 9.0053 10.0510 10.0510 12.8706 12.8706 13.8112 13.8112 k = 0.4565 0.5000-0.0000 ( 3544 PWs) bands (ev): -45.1687 -45.1687 -17.2319 -17.2319 -17.0655 -17.0655 -17.0370 -17.0370 -16.4031 -16.4031 -16.3636 -16.3636 -13.4633 -13.4633 -13.3671 -13.3671 -13.3594 -13.3594 -1.3052 -1.3052 4.2120 4.2120 5.5506 5.5506 9.0325 9.0325 9.9980 9.9980 12.9607 12.9607 13.8254 13.8254 k = 0.4674 0.5000-0.0000 ( 3540 PWs) bands (ev): -45.1687 -45.1687 -17.2320 -17.2320 -17.0656 -17.0656 -17.0370 -17.0370 -16.4030 -16.4030 -16.3636 -16.3636 -13.4636 -13.4636 -13.3665 -13.3665 -13.3592 -13.3592 -1.2883 -1.2883 4.2036 4.2036 5.5401 5.5401 9.0546 9.0546 9.9559 9.9559 13.0451 13.0451 13.8267 13.8267 k = 0.4783 0.5000-0.0000 ( 3534 PWs) bands (ev): -45.1687 -45.1687 -17.2320 -17.2320 -17.0657 -17.0657 -17.0370 -17.0370 -16.4028 -16.4028 -16.3636 -16.3636 -13.4638 -13.4638 -13.3660 -13.3660 -13.3591 -13.3591 -1.2761 -1.2761 4.1969 4.1969 5.5335 5.5335 9.0708 9.0708 9.9254 9.9254 13.1180 13.1180 13.8129 13.8129 k = 0.4891 0.5000-0.0000 ( 3534 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4028 -16.4028 -16.3636 -16.3636 -13.4639 -13.4639 -13.3657 -13.3657 -13.3591 -13.3591 -1.2687 -1.2687 4.1925 4.1925 5.5298 5.5298 9.0807 9.0807 9.9069 9.9069 13.1701 13.1701 13.7917 13.7917 k = 0.5000 0.5000-0.0000 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4027 -16.4027 -16.3636 -16.3636 -13.4639 -13.4639 -13.3656 -13.3656 -13.3590 -13.3590 -1.2663 -1.2663 4.1909 4.1909 5.5287 5.5287 9.0841 9.0841 9.9006 9.9006 13.1896 13.1896 13.7812 13.7812 k = 0.5000 0.5000-0.0000 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4027 -16.4027 -16.3636 -16.3636 -13.4639 -13.4639 -13.3656 -13.3656 -13.3590 -13.3590 -1.2663 -1.2663 4.1909 4.1909 5.5287 5.5287 9.0841 9.0841 9.9006 9.9006 13.1896 13.1896 13.7812 13.7812 k = 0.4923 0.4923-0.0000 ( 3538 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4028 -16.4028 -16.3637 -16.3637 -13.4639 -13.4639 -13.3658 -13.3658 -13.3591 -13.3591 -1.2687 -1.2687 4.1925 4.1925 5.5298 5.5298 9.0807 9.0807 9.9069 9.9069 13.1700 13.1700 13.7921 13.7921 k = 0.4846 0.4846-0.0000 ( 3536 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4029 -16.4029 -16.3636 -16.3636 -13.4638 -13.4638 -13.3660 -13.3660 -13.3591 -13.3591 -1.2762 -1.2762 4.1971 4.1971 5.5332 5.5332 9.0707 9.0707 9.9255 9.9255 13.1166 13.1166 13.8183 13.8183 k = 0.4769 0.4769-0.0000 ( 3540 PWs) bands (ev): -45.1687 -45.1687 -17.2320 -17.2320 -17.0656 -17.0656 -17.0370 -17.0370 -16.4030 -16.4030 -16.3636 -16.3636 -13.4636 -13.4636 -13.3664 -13.3664 -13.3592 -13.3592 -1.2885 -1.2885 4.2048 4.2048 5.5390 5.5390 9.0543 9.0543 9.9562 9.9562 13.0397 13.0397 13.8482 13.8482 k = 0.4692 0.4692-0.0000 ( 3544 PWs) bands (ev): -45.1687 -45.1687 -17.2319 -17.2319 -17.0655 -17.0655 -17.0370 -17.0370 -16.4031 -16.4031 -16.3636 -16.3636 -13.4633 -13.4633 -13.3670 -13.3670 -13.3594 -13.3594 -1.3056 -1.3056 4.2155 4.2155 5.5471 5.5471 9.0317 9.0317 9.9988 9.9988 12.9481 12.9481 13.8742 13.8742 k = 0.4615 0.4615-0.0000 ( 3556 PWs) bands (ev): -45.1688 -45.1688 -17.2319 -17.2319 -17.0654 -17.0654 -17.0371 -17.0371 -16.4034 -16.4034 -16.3637 -16.3637 -13.4629 -13.4629 -13.3678 -13.3678 -13.3597 -13.3597 -1.3275 -1.3275 4.2293 4.2293 5.5576 5.5576 9.0035 9.0035 10.0527 10.0527 12.8473 12.8473 13.8952 13.8952 k = 0.4538 0.4538-0.0000 ( 3558 PWs) bands (ev): -45.1688 -45.1688 -17.2318 -17.2318 -17.0652 -17.0652 -17.0371 -17.0371 -16.4036 -16.4036 -16.3637 -16.3637 -13.4625 -13.4625 -13.3687 -13.3687 -13.3599 -13.3599 -1.3539 -1.3539 4.2460 4.2460 5.5706 5.5706 8.9699 8.9699 10.1177 10.1177 12.7405 12.7405 13.9121 13.9121 k = 0.4462 0.4462-0.0000 ( 3558 PWs) bands (ev): -45.1688 -45.1688 -17.2316 -17.2316 -17.0650 -17.0650 -17.0372 -17.0372 -16.4038 -16.4038 -16.3637 -16.3637 -13.4619 -13.4619 -13.3697 -13.3697 -13.3602 -13.3602 -1.3847 -1.3847 4.2657 4.2657 5.5862 5.5862 8.9314 8.9314 10.1932 10.1932 12.6298 12.6298 13.9256 13.9256 k = 0.4385 0.4385-0.0000 ( 3554 PWs) bands (ev): -45.1688 -45.1688 -17.2314 -17.2314 -17.0647 -17.0647 -17.0372 -17.0372 -16.4041 -16.4041 -16.3636 -16.3636 -13.4613 -13.4613 -13.3709 -13.3709 -13.3605 -13.3605 -1.4198 -1.4198 4.2884 4.2884 5.6044 5.6044 8.8882 8.8882 10.2791 10.2791 12.5164 12.5164 13.9356 13.9356 k = 0.4308 0.4308-0.0000 ( 3554 PWs) bands (ev): -45.1689 -45.1689 -17.2312 -17.2312 -17.0643 -17.0643 -17.0372 -17.0372 -16.4044 -16.4044 -16.3636 -16.3636 -13.4606 -13.4606 -13.3722 -13.3722 -13.3609 -13.3609 -1.4588 -1.4588 4.3139 4.3139 5.6253 5.6253 8.8408 8.8408 10.3748 10.3748 12.4014 12.4014 13.9420 13.9420 k = 0.4231 0.4231-0.0000 ( 3552 PWs) bands (ev): -45.1689 -45.1689 -17.2309 -17.2309 -17.0640 -17.0640 -17.0373 -17.0373 -16.4047 -16.4047 -16.3636 -16.3636 -13.4598 -13.4598 -13.3737 -13.3737 -13.3613 -13.3613 -1.5016 -1.5016 4.3423 4.3423 5.6491 5.6491 8.7895 8.7895 10.4800 10.4800 12.2853 12.2853 13.9451 13.9451 k = 0.4154 0.4154-0.0000 ( 3548 PWs) bands (ev): -45.1689 -45.1689 -17.2306 -17.2306 -17.0635 -17.0635 -17.0373 -17.0373 -16.4050 -16.4050 -16.3636 -16.3636 -13.4589 -13.4589 -13.3752 -13.3752 -13.3617 -13.3617 -1.5480 -1.5480 4.3734 4.3734 5.6758 5.6758 8.7347 8.7347 10.5944 10.5944 12.1686 12.1686 13.9465 13.9465 k = 0.4077 0.4077-0.0000 ( 3552 PWs) bands (ev): -45.1690 -45.1690 -17.2304 -17.2304 -17.0631 -17.0631 -17.0374 -17.0374 -16.4055 -16.4055 -16.3636 -16.3636 -13.4581 -13.4581 -13.3769 -13.3769 -13.3622 -13.3622 -1.5977 -1.5977 4.4073 4.4073 5.7055 5.7055 8.6766 8.6766 10.7175 10.7175 12.0518 12.0518 13.9483 13.9483 k = 0.4000 0.4000-0.0000 ( 3552 PWs) bands (ev): -45.1690 -45.1690 -17.2301 -17.2301 -17.0627 -17.0627 -17.0374 -17.0374 -16.4059 -16.4059 -16.3636 -16.3636 -13.4571 -13.4571 -13.3787 -13.3787 -13.3628 -13.3628 -1.6504 -1.6504 4.4439 4.4439 5.7382 5.7382 8.6156 8.6156 10.8490 10.8490 11.9352 11.9352 13.9521 13.9521 k = 0.3923 0.3923-0.0000 ( 3554 PWs) bands (ev): -45.1691 -45.1691 -17.2298 -17.2298 -17.0622 -17.0622 -17.0375 -17.0375 -16.4065 -16.4065 -16.3636 -16.3636 -13.4561 -13.4561 -13.3806 -13.3806 -13.3634 -13.3634 -1.7059 -1.7059 4.4830 4.4830 5.7741 5.7741 8.5522 8.5522 10.9883 10.9883 11.8195 11.8195 13.9590 13.9590 k = 0.3846 0.3846-0.0000 ( 3554 PWs) bands (ev): -45.1692 -45.1692 -17.2294 -17.2294 -17.0617 -17.0617 -17.0375 -17.0375 -16.4070 -16.4070 -16.3636 -16.3636 -13.4551 -13.4551 -13.3826 -13.3826 -13.3640 -13.3640 -1.7639 -1.7639 4.5247 4.5247 5.8131 5.8131 8.4866 8.4866 11.1343 11.1343 11.7054 11.7054 13.9700 13.9700 k = 0.3769 0.3769-0.0000 ( 3558 PWs) bands (ev): -45.1692 -45.1692 -17.2291 -17.2291 -17.0611 -17.0611 -17.0376 -17.0376 -16.4076 -16.4076 -16.3636 -16.3636 -13.4541 -13.4541 -13.3847 -13.3847 -13.3646 -13.3646 -1.8243 -1.8243 4.5689 4.5689 5.8553 5.8553 8.4193 8.4193 11.2838 11.2838 11.5960 11.5960 13.9853 13.9853 k = 0.3692 0.3692-0.0000 ( 3566 PWs) bands (ev): -45.1693 -45.1693 -17.2287 -17.2287 -17.0606 -17.0606 -17.0376 -17.0376 -16.4082 -16.4082 -16.3637 -16.3637 -13.4530 -13.4530 -13.3869 -13.3869 -13.3653 -13.3653 -1.8866 -1.8866 4.6154 4.6154 5.9008 5.9008 8.3506 8.3506 11.4013 11.4013 11.5267 11.5267 14.0052 14.0052 k = 0.3615 0.3615-0.0000 ( 3578 PWs) bands (ev): -45.1694 -45.1694 -17.2284 -17.2284 -17.0600 -17.0600 -17.0377 -17.0377 -16.4089 -16.4089 -16.3637 -16.3637 -13.4520 -13.4520 -13.3891 -13.3891 -13.3661 -13.3661 -1.9507 -1.9507 4.6642 4.6642 5.9495 5.9495 8.2809 8.2809 11.3412 11.3412 11.6429 11.6429 14.0300 14.0300 k = 0.3538 0.3538-0.0000 ( 3574 PWs) bands (ev): -45.1694 -45.1694 -17.2280 -17.2280 -17.0594 -17.0594 -17.0377 -17.0377 -16.4096 -16.4096 -16.3637 -16.3637 -13.4510 -13.4510 -13.3913 -13.3913 -13.3668 -13.3668 -2.0163 -2.0163 4.7151 4.7151 6.0014 6.0014 8.2106 8.2106 11.2358 11.2358 11.8122 11.8122 14.0596 14.0596 k = 0.3462 0.3462-0.0000 ( 3584 PWs) bands (ev): -45.1695 -45.1695 -17.2276 -17.2276 -17.0587 -17.0587 -17.0378 -17.0378 -16.4103 -16.4103 -16.3638 -16.3638 -13.4500 -13.4500 -13.3935 -13.3935 -13.3676 -13.3676 -2.0832 -2.0832 4.7681 4.7681 6.0567 6.0567 8.1401 8.1401 11.1273 11.1273 11.9919 11.9919 14.0941 14.0941 k = 0.3385 0.3385-0.0000 ( 3572 PWs) bands (ev): -45.1696 -45.1696 -17.2271 -17.2271 -17.0580 -17.0580 -17.0378 -17.0378 -16.4110 -16.4110 -16.3638 -16.3638 -13.4490 -13.4490 -13.3956 -13.3956 -13.3684 -13.3684 -2.1511 -2.1511 4.8231 4.8231 6.1151 6.1151 8.0697 8.0697 11.0192 11.0192 12.1782 12.1782 14.1336 14.1336 k = 0.3308 0.3308-0.0000 ( 3562 PWs) bands (ev): -45.1697 -45.1697 -17.2265 -17.2265 -17.0572 -17.0572 -17.0377 -17.0377 -16.4117 -16.4117 -16.3638 -16.3638 -13.4481 -13.4481 -13.3977 -13.3977 -13.3692 -13.3692 -2.2199 -2.2199 4.8798 4.8798 6.1767 6.1767 7.9999 7.9999 10.9123 10.9123 12.3701 12.3701 14.1782 14.1782 k = 0.3231 0.3231-0.0000 ( 3572 PWs) bands (ev): -45.1697 -45.1697 -17.2261 -17.2261 -17.0565 -17.0565 -17.0378 -17.0378 -16.4125 -16.4125 -16.3639 -16.3639 -13.4474 -13.4474 -13.3997 -13.3997 -13.3701 -13.3701 -2.2893 -2.2893 4.9381 4.9381 6.2414 6.2414 7.9311 7.9311 10.8070 10.8070 12.5668 12.5668 14.2279 14.2279 k = 0.3154 0.3154-0.0000 ( 3570 PWs) bands (ev): -45.1698 -45.1698 -17.2256 -17.2256 -17.0557 -17.0557 -17.0378 -17.0378 -16.4133 -16.4133 -16.3640 -16.3640 -13.4469 -13.4469 -13.4015 -13.4015 -13.3710 -13.3710 -2.3591 -2.3591 4.9978 4.9978 6.3091 6.3091 7.8638 7.8638 10.7034 10.7034 12.7675 12.7675 14.2830 14.2830 k = 0.3077 0.3077-0.0000 ( 3578 PWs) bands (ev): -45.1699 -45.1699 -17.2251 -17.2251 -17.0549 -17.0549 -17.0378 -17.0378 -16.4142 -16.4142 -16.3641 -16.3641 -13.4465 -13.4465 -13.4032 -13.4032 -13.3719 -13.3719 -2.4291 -2.4291 5.0587 5.0587 6.3796 6.3796 7.7984 7.7984 10.6017 10.6017 12.9716 12.9716 14.3437 14.3437 k = 0.3000 0.3000-0.0000 ( 3590 PWs) bands (ev): -45.1700 -45.1700 -17.2247 -17.2247 -17.0542 -17.0542 -17.0378 -17.0378 -16.4152 -16.4152 -16.3642 -16.3642 -13.4465 -13.4465 -13.4046 -13.4046 -13.3729 -13.3729 -2.4991 -2.4991 5.1205 5.1205 6.4529 6.4529 7.7355 7.7355 10.5022 10.5022 13.1778 13.1778 14.4106 14.4106 k = 0.2923 0.2923-0.0000 ( 3594 PWs) bands (ev): -45.1701 -45.1701 -17.2242 -17.2242 -17.0534 -17.0534 -17.0378 -17.0378 -16.4161 -16.4161 -16.3644 -16.3644 -13.4468 -13.4468 -13.4057 -13.4057 -13.3739 -13.3739 -2.5690 -2.5690 5.1828 5.1828 6.5287 6.5287 7.6758 7.6758 10.4047 10.4047 13.3851 13.3851 14.4844 14.4844 k = 0.2846 0.2846-0.0000 ( 3594 PWs) bands (ev): -45.1702 -45.1702 -17.2236 -17.2236 -17.0525 -17.0525 -17.0377 -17.0377 -16.4171 -16.4171 -16.3645 -16.3645 -13.4473 -13.4473 -13.4065 -13.4065 -13.3748 -13.3748 -2.6386 -2.6386 5.2453 5.2453 6.6065 6.6065 7.6201 7.6201 10.3096 10.3096 13.5914 13.5914 14.5663 14.5663 k = 0.2769 0.2769-0.0000 ( 3594 PWs) bands (ev): -45.1703 -45.1703 -17.2231 -17.2231 -17.0517 -17.0517 -17.0377 -17.0377 -16.4180 -16.4180 -16.3646 -16.3646 -13.4481 -13.4481 -13.4070 -13.4070 -13.3758 -13.3758 -2.7078 -2.7078 5.3076 5.3076 6.6860 6.6860 7.5694 7.5694 10.2169 10.2169 13.7945 13.7945 14.6582 14.6582 k = 0.2692 0.2692-0.0000 ( 3590 PWs) bands (ev): -45.1704 -45.1704 -17.2225 -17.2225 -17.0508 -17.0508 -17.0376 -17.0376 -16.4190 -16.4190 -16.3647 -16.3647 -13.4493 -13.4493 -13.4071 -13.4071 -13.3768 -13.3768 -2.7763 -2.7763 5.3689 5.3689 6.7664 6.7664 7.5250 7.5250 10.1268 10.1268 13.9909 13.9909 14.7626 14.7626 k = 0.2615 0.2615-0.0000 ( 3586 PWs) bands (ev): -45.1704 -45.1704 -17.2220 -17.2220 -17.0499 -17.0499 -17.0375 -17.0375 -16.4200 -16.4200 -16.3649 -16.3649 -13.4507 -13.4507 -13.4069 -13.4069 -13.3778 -13.3778 -2.8440 -2.8440 5.4289 5.4289 6.8465 6.8465 7.4887 7.4887 10.0394 10.0394 14.1763 14.1763 14.8826 14.8826 k = 0.2538 0.2538-0.0000 ( 3578 PWs) bands (ev): -45.1705 -45.1705 -17.2214 -17.2214 -17.0489 -17.0489 -17.0374 -17.0374 -16.4209 -16.4209 -16.3650 -16.3650 -13.4525 -13.4525 -13.4065 -13.4065 -13.3788 -13.3788 -2.9109 -2.9109 5.4866 5.4866 6.9243 6.9243 7.4631 7.4631 9.9547 9.9547 14.3466 14.3466 15.0207 15.0207 k = 0.2462 0.2462-0.0000 ( 3578 PWs) bands (ev): -45.1706 -45.1706 -17.2208 -17.2208 -17.0480 -17.0480 -17.0373 -17.0373 -16.4220 -16.4220 -16.3651 -16.3651 -13.4544 -13.4544 -13.4058 -13.4058 -13.3799 -13.3799 -2.9768 -2.9768 5.5413 5.5413 6.9968 6.9968 7.4521 7.4521 9.8731 9.8731 14.4995 14.4995 15.1758 15.1758 k = 0.2385 0.2385-0.0000 ( 3578 PWs) bands (ev): -45.1707 -45.1707 -17.2203 -17.2203 -17.0471 -17.0471 -17.0372 -17.0372 -16.4230 -16.4230 -16.3653 -16.3653 -13.4566 -13.4566 -13.4049 -13.4049 -13.3809 -13.3809 -3.0416 -3.0416 5.5920 5.5920 7.0599 7.0599 7.4604 7.4604 9.7946 9.7946 14.6354 14.6354 15.3380 15.3380 k = 0.2308 0.2308-0.0000 ( 3582 PWs) bands (ev): -45.1708 -45.1708 -17.2198 -17.2198 -17.0463 -17.0463 -17.0371 -17.0371 -16.4241 -16.4241 -16.3655 -16.3655 -13.4589 -13.4589 -13.4039 -13.4039 -13.3819 -13.3819 -3.1051 -3.1051 5.6378 5.6378 7.1105 7.1105 7.4921 7.4921 9.7194 9.7194 14.7576 14.7576 15.4819 15.4819 k = 0.2231 0.2231-0.0000 ( 3582 PWs) bands (ev): -45.1709 -45.1709 -17.2192 -17.2192 -17.0454 -17.0454 -17.0369 -17.0369 -16.4251 -16.4251 -16.3657 -16.3657 -13.4613 -13.4613 -13.4027 -13.4027 -13.3830 -13.3830 -3.1674 -3.1674 5.6777 5.6777 7.1491 7.1491 7.5471 7.5471 9.6480 9.6480 14.8693 14.8693 15.5941 15.5941 k = 0.2154 0.2154-0.0000 ( 3592 PWs) bands (ev): -45.1710 -45.1710 -17.2187 -17.2187 -17.0445 -17.0445 -17.0368 -17.0368 -16.4262 -16.4262 -16.3659 -16.3659 -13.4639 -13.4639 -13.4015 -13.4015 -13.3840 -13.3840 -3.2282 -3.2282 5.7109 5.7109 7.1812 7.1812 7.6206 7.6206 9.5805 9.5805 14.9735 14.9735 15.6913 15.6913 k = 0.2077 0.2077-0.0000 ( 3588 PWs) bands (ev): -45.1711 -45.1711 -17.2181 -17.2181 -17.0436 -17.0436 -17.0367 -17.0367 -16.4273 -16.4273 -16.3661 -16.3661 -13.4664 -13.4664 -13.4002 -13.4002 -13.3850 -13.3850 -3.2875 -3.2875 5.7370 5.7370 7.2127 7.2127 7.7067 7.7067 9.5174 9.5174 15.0716 15.0716 15.7836 15.7836 k = 0.2000 0.2000-0.0000 ( 3590 PWs) bands (ev): -45.1712 -45.1712 -17.2176 -17.2176 -17.0427 -17.0427 -17.0365 -17.0365 -16.4283 -16.4283 -16.3663 -16.3663 -13.4689 -13.4689 -13.3988 -13.3988 -13.3861 -13.3861 -3.3452 -3.3452 5.7555 5.7555 7.2480 7.2480 7.8007 7.8007 9.4592 9.4592 15.1642 15.1642 15.8737 15.8737 k = 0.1923 0.1923-0.0000 ( 3600 PWs) bands (ev): -45.1713 -45.1713 -17.2171 -17.2171 -17.0419 -17.0419 -17.0364 -17.0364 -16.4294 -16.4294 -16.3666 -16.3666 -13.4715 -13.4715 -13.3975 -13.3975 -13.3871 -13.3871 -3.4013 -3.4013 5.7666 5.7666 7.2896 7.2896 7.8994 7.8994 9.4066 9.4066 15.2508 15.2508 15.9625 15.9625 k = 0.1846 0.1846-0.0000 ( 3598 PWs) bands (ev): -45.1713 -45.1713 -17.2166 -17.2166 -17.0410 -17.0410 -17.0362 -17.0362 -16.4305 -16.4305 -16.3668 -16.3668 -13.4741 -13.4741 -13.3960 -13.3960 -13.3881 -13.3881 -3.4556 -3.4556 5.7707 5.7707 7.3381 7.3381 8.0003 8.0003 9.3607 9.3607 15.3302 15.3302 16.0501 16.0501 k = 0.1769 0.1769-0.0000 ( 3600 PWs) bands (ev): -45.1714 -45.1714 -17.2161 -17.2161 -17.0401 -17.0401 -17.0361 -17.0361 -16.4315 -16.4315 -16.3670 -16.3670 -13.4766 -13.4766 -13.3947 -13.3947 -13.3890 -13.3890 -3.5082 -3.5082 5.7685 5.7685 7.3936 7.3936 8.1013 8.1013 9.3227 9.3227 15.3999 15.3999 16.1361 16.1361 k = 0.1692 0.1692-0.0000 ( 3600 PWs) bands (ev): -45.1715 -45.1715 -17.2156 -17.2156 -17.0393 -17.0393 -17.0359 -17.0359 -16.4325 -16.4325 -16.3673 -16.3673 -13.4791 -13.4791 -13.3933 -13.3933 -13.3900 -13.3900 -3.5588 -3.5588 5.7609 5.7609 7.4554 7.4554 8.2005 8.2005 9.2944 9.2944 15.4567 15.4567 16.2204 16.2204 k = 0.1615 0.1615-0.0000 ( 3600 PWs) bands (ev): -45.1716 -45.1716 -17.2151 -17.2151 -17.0385 -17.0385 -17.0357 -17.0357 -16.4335 -16.4335 -16.3675 -16.3675 -13.4815 -13.4815 -13.3921 -13.3921 -13.3907 -13.3907 -3.6076 -3.6076 5.7488 5.7488 7.5222 7.5222 8.2953 8.2953 9.2781 9.2781 15.4965 15.4965 16.3017 16.3017 k = 0.1538 0.1538-0.0000 ( 3604 PWs) bands (ev): -45.1717 -45.1717 -17.2147 -17.2147 -17.0377 -17.0377 -17.0355 -17.0355 -16.4345 -16.4345 -16.3677 -16.3677 -13.4838 -13.4838 -13.3921 -13.3921 -13.3902 -13.3902 -3.6544 -3.6544 5.7331 5.7331 7.5928 7.5928 8.3831 8.3831 9.2768 9.2768 15.5148 15.5148 16.3754 16.3754 k = 0.1462 0.1462-0.0000 ( 3602 PWs) bands (ev): -45.1717 -45.1717 -17.2142 -17.2142 -17.0369 -17.0369 -17.0353 -17.0353 -16.4355 -16.4355 -16.3680 -16.3680 -13.4861 -13.4861 -13.3929 -13.3929 -13.3890 -13.3890 -3.6992 -3.6992 5.7147 5.7147 7.6655 7.6655 8.4612 8.4612 9.2935 9.2935 15.5076 15.5076 16.4172 16.4172 k = 0.1385 0.1385-0.0000 ( 3598 PWs) bands (ev): -45.1718 -45.1718 -17.2138 -17.2138 -17.0362 -17.0362 -17.0351 -17.0351 -16.4364 -16.4364 -16.3682 -16.3682 -13.4883 -13.4883 -13.3937 -13.3937 -13.3877 -13.3877 -3.7419 -3.7419 5.6944 5.6944 7.7384 7.7384 8.5278 8.5278 9.3307 9.3307 15.4727 15.4727 16.3610 16.3610 k = 0.1308 0.1308-0.0000 ( 3602 PWs) bands (ev): -45.1719 -45.1719 -17.2134 -17.2134 -17.0355 -17.0355 -17.0348 -17.0348 -16.4373 -16.4373 -16.3684 -16.3684 -13.4905 -13.4905 -13.3945 -13.3945 -13.3865 -13.3865 -3.7826 -3.7826 5.6728 5.6728 7.8096 7.8096 8.5835 8.5835 9.3889 9.3889 15.4105 15.4105 16.2227 16.2227 k = 0.1231 0.1231-0.0000 ( 3606 PWs) bands (ev): -45.1719 -45.1719 -17.2130 -17.2130 -17.0351 -17.0351 -17.0344 -17.0344 -16.4382 -16.4382 -16.3686 -16.3686 -13.4925 -13.4925 -13.3953 -13.3953 -13.3853 -13.3853 -3.8211 -3.8211 5.6505 5.6505 7.8768 7.8768 8.6309 8.6309 9.4664 9.4664 15.3235 15.3235 16.0563 16.0563 k = 0.1154 0.1154-0.0000 ( 3606 PWs) bands (ev): -45.1720 -45.1720 -17.2126 -17.2126 -17.0348 -17.0348 -17.0339 -17.0339 -16.4390 -16.4390 -16.3689 -16.3689 -13.4944 -13.4944 -13.3961 -13.3961 -13.3841 -13.3841 -3.8574 -3.8574 5.6279 5.6279 7.9375 7.9375 8.6747 8.6747 9.5599 9.5599 15.2159 15.2159 15.8800 15.8800 k = 0.1077 0.1077-0.0000 ( 3614 PWs) bands (ev): -45.1721 -45.1721 -17.2122 -17.2122 -17.0346 -17.0346 -17.0333 -17.0333 -16.4398 -16.4398 -16.3691 -16.3691 -13.4963 -13.4963 -13.3968 -13.3968 -13.3831 -13.3831 -3.8915 -3.8915 5.6056 5.6056 7.9896 7.9896 8.7195 8.7195 9.6656 9.6656 15.0924 15.0924 15.7004 15.7004 k = 0.1000 0.1000-0.0000 ( 3614 PWs) bands (ev): -45.1721 -45.1721 -17.2119 -17.2119 -17.0345 -17.0345 -17.0327 -17.0327 -16.4406 -16.4406 -16.3693 -16.3693 -13.4980 -13.4980 -13.3975 -13.3975 -13.3820 -13.3820 -3.9234 -3.9234 5.5837 5.5837 8.0318 8.0318 8.7689 8.7689 9.7803 9.7803 14.9573 14.9573 15.5212 15.5212 k = 0.0923 0.0923-0.0000 ( 3604 PWs) bands (ev): -45.1722 -45.1722 -17.2115 -17.2115 -17.0342 -17.0342 -17.0321 -17.0321 -16.4412 -16.4412 -16.3695 -16.3695 -13.4996 -13.4996 -13.3981 -13.3981 -13.3810 -13.3810 -3.9530 -3.9530 5.5626 5.5626 8.0637 8.0637 8.8246 8.8246 9.9010 9.9010 14.8147 14.8147 15.3447 15.3447 k = 0.0846 0.0846-0.0000 ( 3600 PWs) bands (ev): -45.1722 -45.1722 -17.2112 -17.2112 -17.0341 -17.0341 -17.0316 -17.0316 -16.4419 -16.4419 -16.3696 -16.3696 -13.5011 -13.5011 -13.3987 -13.3987 -13.3801 -13.3801 -3.9803 -3.9803 5.5426 5.5426 8.0860 8.0860 8.8867 8.8867 10.0256 10.0256 14.6676 14.6676 15.1732 15.1732 k = 0.0769 0.0769-0.0000 ( 3604 PWs) bands (ev): -45.1723 -45.1723 -17.2110 -17.2110 -17.0339 -17.0339 -17.0311 -17.0311 -16.4425 -16.4425 -16.3698 -16.3698 -13.5025 -13.5025 -13.3992 -13.3992 -13.3793 -13.3793 -4.0054 -4.0054 5.5238 5.5238 8.1002 8.1002 8.9538 8.9538 10.1521 10.1521 14.5189 14.5189 15.0084 15.0084 k = 0.0692 0.0692-0.0000 ( 3608 PWs) bands (ev): -45.1723 -45.1723 -17.2107 -17.2107 -17.0338 -17.0338 -17.0307 -17.0307 -16.4431 -16.4431 -16.3699 -16.3699 -13.5038 -13.5038 -13.3997 -13.3997 -13.3785 -13.3785 -4.0281 -4.0281 5.5063 5.5063 8.1082 8.1082 9.0237 9.0237 10.2788 10.2788 14.3711 14.3711 14.8520 14.8520 k = 0.0615 0.0615-0.0000 ( 3600 PWs) bands (ev): -45.1723 -45.1723 -17.2105 -17.2105 -17.0337 -17.0337 -17.0302 -17.0302 -16.4436 -16.4436 -16.3701 -16.3701 -13.5048 -13.5048 -13.4002 -13.4002 -13.3778 -13.3778 -4.0484 -4.0484 5.4904 5.4904 8.1117 8.1117 9.0942 9.0942 10.4037 10.4037 14.2262 14.2262 14.7057 14.7057 k = 0.0538 0.0538-0.0000 ( 3596 PWs) bands (ev): -45.1724 -45.1724 -17.2102 -17.2102 -17.0335 -17.0335 -17.0298 -17.0298 -16.4440 -16.4440 -16.3702 -16.3702 -13.5058 -13.5058 -13.4006 -13.4006 -13.3772 -13.3772 -4.0664 -4.0664 5.4762 5.4762 8.1121 8.1121 9.1631 9.1631 10.5251 10.5251 14.0868 14.0868 14.5713 14.5713 k = 0.0462 0.0462-0.0000 ( 3586 PWs) bands (ev): -45.1724 -45.1724 -17.2100 -17.2100 -17.0334 -17.0334 -17.0295 -17.0295 -16.4443 -16.4443 -16.3703 -16.3703 -13.5066 -13.5066 -13.4009 -13.4009 -13.3766 -13.3766 -4.0820 -4.0820 5.4636 5.4636 8.1107 8.1107 9.2280 9.2280 10.6405 10.6405 13.9551 13.9551 14.4505 14.4505 k = 0.0385 0.0385-0.0000 ( 3586 PWs) bands (ev): -45.1724 -45.1724 -17.2099 -17.2099 -17.0333 -17.0333 -17.0292 -17.0292 -16.4447 -16.4447 -16.3703 -16.3703 -13.5074 -13.5074 -13.4012 -13.4012 -13.3762 -13.3762 -4.0953 -4.0953 5.4529 5.4529 8.1083 8.1083 9.2870 9.2870 10.7474 10.7474 13.8341 13.8341 14.3448 14.3448 k = 0.0308 0.0308-0.0000 ( 3582 PWs) bands (ev): -45.1724 -45.1724 -17.2097 -17.2097 -17.0333 -17.0333 -17.0290 -17.0290 -16.4449 -16.4449 -16.3704 -16.3704 -13.5080 -13.5080 -13.4014 -13.4014 -13.3758 -13.3758 -4.1061 -4.1061 5.4441 5.4441 8.1056 8.1056 9.3382 9.3382 10.8426 10.8426 13.7271 13.7271 14.2558 14.2558 k = 0.0231 0.0231-0.0000 ( 3580 PWs) bands (ev): -45.1724 -45.1724 -17.2096 -17.2096 -17.0332 -17.0332 -17.0288 -17.0288 -16.4451 -16.4451 -16.3705 -16.3705 -13.5084 -13.5084 -13.4016 -13.4016 -13.3755 -13.3755 -4.1146 -4.1146 5.4371 5.4371 8.1031 8.1031 9.3799 9.3799 10.9225 10.9225 13.6378 13.6378 14.1849 14.1849 k = 0.0154 0.0154-0.0000 ( 3577 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0286 -17.0286 -16.4453 -16.4453 -16.3705 -16.3705 -13.5088 -13.5088 -13.4017 -13.4017 -13.3753 -13.3753 -4.1206 -4.1206 5.4322 5.4322 8.1011 8.1011 9.4108 9.4108 10.9834 10.9834 13.5701 13.5701 14.1334 14.1334 k = 0.0077 0.0077-0.0000 ( 3577 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0286 -17.0286 -16.4453 -16.4453 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3752 -13.3752 -4.1242 -4.1242 5.4292 5.4292 8.0998 8.0998 9.4298 9.4298 11.0216 11.0216 13.5278 13.5278 14.1020 14.1020 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0285 -17.0285 -16.4454 -16.4454 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3751 -13.3751 -4.1254 -4.1254 5.4282 5.4282 8.0993 8.0993 9.4362 9.4362 11.0347 11.0347 13.5133 13.5133 14.0915 14.0915 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0285 -17.0285 -16.4454 -16.4454 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3751 -13.3751 -4.1254 -4.1254 5.4282 5.4282 8.0993 8.0993 9.4362 9.4362 11.0347 11.0347 13.5133 13.5133 14.0915 14.0915 k = 0.0000 0.0000 0.0109 ( 3575 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0331 -17.0331 -17.0285 -17.0285 -16.4454 -16.4454 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3751 -13.3751 -4.1250 -4.1250 5.4181 5.4181 8.1111 8.1111 9.4386 9.4386 11.0352 11.0352 13.5143 13.5143 14.0928 14.0928 k = 0.0000 0.0000 0.0218 ( 3583 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0332 -17.0332 -17.0285 -17.0285 -16.4454 -16.4454 -16.3706 -16.3706 -13.5090 -13.5090 -13.4019 -13.4019 -13.3751 -13.3751 -4.1236 -4.1236 5.3886 5.3886 8.1455 8.1455 9.4461 9.4461 11.0368 11.0368 13.5174 13.5174 14.0966 14.0966 k = 0.0000 0.0000 0.0327 ( 3579 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0332 -17.0332 -17.0285 -17.0285 -16.4453 -16.4453 -16.3705 -16.3705 -13.5090 -13.5090 -13.4018 -13.4018 -13.3751 -13.3751 -4.1214 -4.1214 5.3412 5.3412 8.2003 8.2003 9.4591 9.4591 11.0395 11.0395 13.5224 13.5224 14.1029 14.1029 k = 0.0000 0.0000 0.0437 ( 3571 PWs) bands (ev): -45.1724 -45.1724 -17.2095 -17.2095 -17.0332 -17.0332 -17.0286 -17.0286 -16.4453 -16.4453 -16.3704 -16.3704 -13.5090 -13.5090 -13.4017 -13.4017 -13.3751 -13.3751 -4.1183 -4.1183 5.2785 5.2785 8.2725 8.2725 9.4784 9.4784 11.0431 11.0431 13.5295 13.5295 14.1118 14.1118 k = 0.0000 0.0000 0.0546 ( 3579 PWs) bands (ev): -45.1724 -45.1724 -17.2096 -17.2096 -17.0332 -17.0332 -17.0286 -17.0286 -16.4454 -16.4454 -16.3704 -16.3704 -13.5090 -13.5090 -13.4016 -13.4016 -13.3751 -13.3751 -4.1144 -4.1144 5.2031 5.2031 8.3578 8.3578 9.5054 9.5054 11.0478 11.0478 13.5386 13.5386 14.1231 14.1231 k = 0.0000 0.0000 0.0655 ( 3587 PWs) bands (ev): -45.1724 -45.1724 -17.2097 -17.2097 -17.0333 -17.0333 -17.0287 -17.0287 -16.4454 -16.4454 -16.3704 -16.3704 -13.5091 -13.5091 -13.4016 -13.4016 -13.3752 -13.3752 -4.1096 -4.1096 5.1179 5.1179 8.4519 8.4519 9.5417 9.5417 11.0534 11.0534 13.5496 13.5496 14.1371 14.1371 k = 0.0000 0.0000 0.0764 ( 3587 PWs) bands (ev): -45.1724 -45.1724 -17.2097 -17.2097 -17.0334 -17.0334 -17.0287 -17.0287 -16.4454 -16.4454 -16.3703 -16.3703 -13.5091 -13.5091 -13.4015 -13.4015 -13.3752 -13.3752 -4.1041 -4.1041 5.0252 5.0252 8.5498 8.5498 9.5897 9.5897 11.0600 11.0600 13.5625 13.5625 14.1535 14.1535 k = 0.0000 0.0000 0.0873 ( 3587 PWs) bands (ev): -45.1724 -45.1724 -17.2098 -17.2098 -17.0335 -17.0335 -17.0287 -17.0287 -16.4454 -16.4454 -16.3702 -16.3702 -13.5091 -13.5091 -13.4014 -13.4014 -13.3752 -13.3752 -4.0979 -4.0979 4.9272 4.9272 8.6466 8.6466 9.6521 9.6521 11.0674 11.0674 13.5774 13.5774 14.1725 14.1725 k = 0.0000 0.0000 0.0982 ( 3579 PWs) bands (ev): -45.1724 -45.1724 -17.2098 -17.2098 -17.0335 -17.0335 -17.0287 -17.0287 -16.4453 -16.4453 -16.3701 -16.3701 -13.5090 -13.5090 -13.4012 -13.4012 -13.3752 -13.3752 -4.0909 -4.0909 4.8257 4.8257 8.7377 8.7377 9.7318 9.7318 11.0757 11.0757 13.5940 13.5940 14.1940 14.1940 k = 0.0000 0.0000 0.1092 ( 3575 PWs) bands (ev): -45.1724 -45.1724 -17.2098 -17.2098 -17.0336 -17.0336 -17.0287 -17.0287 -16.4453 -16.4453 -16.3700 -16.3700 -13.5090 -13.5090 -13.4011 -13.4011 -13.3751 -13.3751 -4.0833 -4.0833 4.7224 4.7224 8.8194 8.8194 9.8307 9.8307 11.0847 11.0847 13.6124 13.6124 14.2180 14.2180 k = 0.0000 0.0000 0.1201 ( 3567 PWs) bands (ev): -45.1724 -45.1724 -17.2099 -17.2099 -17.0336 -17.0336 -17.0287 -17.0287 -16.4452 -16.4452 -16.3699 -16.3699 -13.5090 -13.5090 -13.4009 -13.4009 -13.3751 -13.3751 -4.0751 -4.0751 4.6183 4.6183 8.8898 8.8898 9.9495 9.9495 11.0944 11.0944 13.6326 13.6326 14.2446 14.2446 k = 0.0000 0.0000 0.1310 ( 3571 PWs) bands (ev): -45.1724 -45.1724 -17.2100 -17.2100 -17.0337 -17.0337 -17.0288 -17.0288 -16.4452 -16.4452 -16.3698 -16.3698 -13.5090 -13.5090 -13.4008 -13.4008 -13.3751 -13.3751 -4.0665 -4.0665 4.5146 4.5146 8.9487 8.9487 10.0872 10.0872 11.1048 11.1048 13.6544 13.6544 14.2737 14.2737 k = 0.0000 0.0000 0.1419 ( 3572 PWs) bands (ev): -45.1724 -45.1724 -17.2100 -17.2100 -17.0338 -17.0338 -17.0288 -17.0288 -16.4452 -16.4452 -16.3697 -16.3697 -13.5090 -13.5090 -13.4006 -13.4006 -13.3751 -13.3751 -4.0573 -4.0573 4.4122 4.4122 8.9972 8.9972 10.2417 10.2417 11.1157 11.1157 13.6778 13.6778 14.3054 14.3054 k = 0.0000 0.0000 0.1528 ( 3588 PWs) bands (ev): -45.1724 -45.1724 -17.2102 -17.2102 -17.0340 -17.0340 -17.0289 -17.0289 -16.4453 -16.4453 -16.3696 -16.3696 -13.5091 -13.5091 -13.4005 -13.4005 -13.3752 -13.3752 -4.0478 -4.0478 4.3116 4.3116 9.0372 9.0372 10.4104 10.4104 11.1271 11.1271 13.7026 13.7026 14.3396 14.3396 k = 0.0000 0.0000 0.1637 ( 3596 PWs) bands (ev): -45.1724 -45.1724 -17.2103 -17.2103 -17.0341 -17.0341 -17.0290 -17.0290 -16.4453 -16.4453 -16.3696 -16.3696 -13.5091 -13.5091 -13.4004 -13.4004 -13.3753 -13.3753 -4.0381 -4.0381 4.2136 4.2136 9.0704 9.0704 10.5908 10.5908 11.1389 11.1389 13.7289 13.7289 14.3763 14.3763 k = 0.0000 0.0000 0.1746 ( 3596 PWs) bands (ev): -45.1724 -45.1724 -17.2104 -17.2104 -17.0342 -17.0342 -17.0290 -17.0290 -16.4453 -16.4453 -16.3694 -16.3694 -13.5091 -13.5091 -13.4002 -13.4002 -13.3753 -13.3753 -4.0281 -4.0281 4.1186 4.1186 9.0982 9.0982 10.7805 10.7805 11.1509 11.1509 13.7565 13.7565 14.4155 14.4155 k = 0.0000 0.0000 0.1856 ( 3592 PWs) bands (ev): -45.1724 -45.1724 -17.2104 -17.2104 -17.0343 -17.0343 -17.0291 -17.0291 -16.4452 -16.4452 -16.3693 -16.3693 -13.5091 -13.5091 -13.4000 -13.4000 -13.3752 -13.3752 -4.0180 -4.0180 4.0272 4.0272 9.1219 9.1219 10.9778 10.9778 11.1631 11.1631 13.7853 13.7853 14.4573 14.4573 k = 0.0000 0.0000 0.1965 ( 3588 PWs) bands (ev): -45.1724 -45.1724 -17.2105 -17.2105 -17.0344 -17.0344 -17.0291 -17.0291 -16.4452 -16.4452 -16.3692 -16.3692 -13.5090 -13.5090 -13.3999 -13.3999 -13.3752 -13.3752 -4.0079 -4.0079 3.9396 3.9396 9.1424 9.1424 11.1753 11.1753 11.1808 11.1808 13.8153 13.8153 14.5016 14.5016 k = 0.0000 0.0000 0.2074 ( 3568 PWs) bands (ev): -45.1724 -45.1724 -17.2105 -17.2105 -17.0344 -17.0344 -17.0290 -17.0290 -16.4451 -16.4451 -16.3690 -16.3690 -13.5090 -13.5090 -13.3997 -13.3997 -13.3751 -13.3751 -3.9978 -3.9978 3.8563 3.8563 9.1603 9.1603 11.1875 11.1875 11.3883 11.3883 13.8464 13.8464 14.5484 14.5484 k = 0.0000 0.0000 0.2183 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2107 -17.2107 -17.0346 -17.0346 -17.0291 -17.0291 -16.4451 -16.4451 -16.3690 -16.3690 -13.5090 -13.5090 -13.3996 -13.3996 -13.3752 -13.3752 -3.9879 -3.9879 3.7775 3.7775 9.1761 9.1761 11.1995 11.1995 11.5989 11.5989 13.8785 13.8785 14.5977 14.5977 k = 0.0000 0.0000 0.2292 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2107 -17.2107 -17.0347 -17.0347 -17.0291 -17.0291 -16.4451 -16.4451 -16.3689 -16.3689 -13.5090 -13.5090 -13.3994 -13.3994 -13.3752 -13.3752 -3.9783 -3.9783 3.7035 3.7035 9.1901 9.1901 11.2112 11.2112 11.8111 11.8111 13.9117 13.9117 14.6496 14.6496 k = 0.0000 0.0000 0.2401 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2108 -17.2108 -17.0348 -17.0348 -17.0292 -17.0292 -16.4451 -16.4451 -16.3688 -16.3688 -13.5090 -13.5090 -13.3993 -13.3993 -13.3752 -13.3752 -3.9690 -3.9690 3.6345 3.6345 9.2026 9.2026 11.2226 11.2226 12.0236 12.0236 13.9460 13.9460 14.7038 14.7038 k = 0.0000 0.0000 0.2511 ( 3580 PWs) bands (ev): -45.1724 -45.1724 -17.2109 -17.2109 -17.0349 -17.0349 -17.0292 -17.0292 -16.4450 -16.4450 -16.3686 -16.3686 -13.5090 -13.5090 -13.3991 -13.3991 -13.3752 -13.3752 -3.9601 -3.9601 3.5708 3.5708 9.2137 9.2137 11.2334 11.2334 12.2345 12.2345 13.9817 13.9817 14.7605 14.7605 k = 0.0000 0.0000 0.2620 ( 3580 PWs) bands (ev): -45.1724 -45.1724 -17.2109 -17.2109 -17.0349 -17.0349 -17.0292 -17.0292 -16.4450 -16.4450 -16.3686 -16.3686 -13.5090 -13.5090 -13.3990 -13.3990 -13.3752 -13.3752 -3.9518 -3.9518 3.5126 3.5126 9.2237 9.2237 11.2436 11.2436 12.4418 12.4418 14.0191 14.0191 14.8196 14.8196 k = 0.0000 0.0000 0.2729 ( 3580 PWs) bands (ev): -45.1724 -45.1724 -17.2110 -17.2110 -17.0350 -17.0350 -17.0292 -17.0292 -16.4450 -16.4450 -16.3685 -16.3685 -13.5090 -13.5090 -13.3989 -13.3989 -13.3752 -13.3752 -3.9441 -3.9441 3.4601 3.4601 9.2324 9.2324 11.2530 11.2530 12.6429 12.6429 14.0588 14.0588 14.8810 14.8810 k = 0.0000 0.0000 0.2838 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2110 -17.2110 -17.0351 -17.0351 -17.0293 -17.0293 -16.4450 -16.4450 -16.3684 -16.3684 -13.5090 -13.5090 -13.3988 -13.3988 -13.3752 -13.3752 -3.9371 -3.9371 3.4134 3.4134 9.2401 9.2401 11.2617 11.2617 12.8343 12.8343 14.1017 14.1017 14.9446 14.9446 k = 0.0000 0.0000 0.2947 ( 3576 PWs) bands (ev): -45.1724 -45.1724 -17.2111 -17.2111 -17.0351 -17.0351 -17.0293 -17.0293 -16.4450 -16.4450 -16.3683 -16.3683 -13.5090 -13.5090 -13.3986 -13.3986 -13.3752 -13.3752 -3.9309 -3.9309 3.3726 3.3726 9.2467 9.2467 11.2693 11.2693 13.0117 13.0117 14.1488 14.1488 15.0101 15.0101 k = 0.0000 0.0000 0.3056 ( 3588 PWs) bands (ev): -45.1724 -45.1724 -17.2111 -17.2111 -17.0352 -17.0352 -17.0293 -17.0293 -16.4450 -16.4450 -16.3683 -16.3683 -13.5090 -13.5090 -13.3986 -13.3986 -13.3753 -13.3753 -3.9255 -3.9255 3.3378 3.3378 9.2523 9.2523 11.2760 11.2760 13.1700 13.1700 14.2009 14.2009 15.0773 15.0773 k = 0.0000 0.0000 0.3165 ( 3596 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3683 -16.3683 -13.5090 -13.5090 -13.3985 -13.3985 -13.3753 -13.3753 -3.9209 -3.9209 3.3093 3.3093 9.2569 9.2569 11.2816 11.2816 13.3039 13.3039 14.2577 14.2577 15.1456 15.1456 k = 0.0000 0.0000 0.3275 ( 3596 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3683 -16.3683 -13.5090 -13.5090 -13.3985 -13.3985 -13.3753 -13.3753 -3.9174 -3.9174 3.2870 3.2870 9.2604 9.2604 11.2860 11.2860 13.4092 13.4092 14.3162 14.3162 15.2134 15.2134 k = 0.0000 0.0000 0.3384 ( 3588 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3682 -16.3682 -13.5090 -13.5090 -13.3984 -13.3984 -13.3753 -13.3753 -3.9148 -3.9148 3.2710 3.2710 9.2629 9.2629 11.2891 11.2891 13.4838 13.4838 14.3693 14.3693 15.2778 15.2778 k = 0.0000 0.0000 0.3493 ( 3588 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3682 -16.3682 -13.5090 -13.5090 -13.3984 -13.3984 -13.3753 -13.3753 -3.9133 -3.9133 3.2614 3.2614 9.2644 9.2644 11.2911 11.2911 13.5278 13.5278 14.4074 14.4074 15.3306 15.3306 k = 0.0000 0.0000 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3681 -16.3681 -13.5090 -13.5090 -13.3983 -13.3983 -13.3753 -13.3753 -3.9128 -3.9128 3.2582 3.2582 9.2649 9.2649 11.2917 11.2917 13.5423 13.5423 14.4213 14.4213 15.3533 15.3533 k = 0.0000 0.0000 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3681 -16.3681 -13.5090 -13.5090 -13.3983 -13.3983 -13.3753 -13.3753 -3.9128 -3.9128 3.2582 3.2582 9.2649 9.2649 11.2917 11.2917 13.5423 13.5423 14.4213 14.4213 15.3533 15.3533 k = 0.0000 0.0109 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3681 -16.3681 -13.5089 -13.5089 -13.3983 -13.3983 -13.3753 -13.3753 -3.9116 -3.9116 3.2596 3.2596 9.2586 9.2586 11.2785 11.2785 13.5551 13.5551 14.4219 14.4219 15.3638 15.3638 k = 0.0000 0.0217 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2113 -17.2113 -17.0353 -17.0353 -17.0295 -17.0295 -16.4449 -16.4449 -16.3681 -16.3681 -13.5087 -13.5087 -13.3982 -13.3982 -13.3755 -13.3755 -3.9081 -3.9081 3.2639 3.2639 9.2395 9.2395 11.2410 11.2410 13.5916 13.5916 14.4236 14.4236 15.3955 15.3955 k = 0.0000 0.0326 0.3602 ( 3580 PWs) bands (ev): -45.1724 -45.1724 -17.2113 -17.2113 -17.0353 -17.0353 -17.0295 -17.0295 -16.4447 -16.4447 -16.3681 -16.3681 -13.5084 -13.5084 -13.3981 -13.3981 -13.3757 -13.3757 -3.9024 -3.9024 3.2711 3.2711 9.2068 9.2068 11.1841 11.1841 13.6467 13.6467 14.4259 14.4259 15.4413 15.4413 k = 0.0000 0.0435 0.3602 ( 3586 PWs) bands (ev): -45.1724 -45.1724 -17.2114 -17.2114 -17.0354 -17.0354 -17.0297 -17.0297 -16.4445 -16.4445 -16.3681 -16.3681 -13.5079 -13.5079 -13.3979 -13.3979 -13.3760 -13.3760 -3.8943 -3.8943 3.2811 3.2811 9.1597 9.1597 11.1148 11.1148 13.7137 13.7137 14.4276 14.4276 15.3537 15.3537 k = 0.0000 0.0543 0.3602 ( 3582 PWs) bands (ev): -45.1724 -45.1724 -17.2115 -17.2115 -17.0354 -17.0354 -17.0299 -17.0299 -16.4443 -16.4443 -16.3680 -16.3680 -13.5073 -13.5073 -13.3977 -13.3977 -13.3763 -13.3763 -3.8840 -3.8840 3.2939 3.2939 9.0970 9.0970 11.0399 11.0399 13.7859 13.7859 14.4266 14.4266 15.2193 15.2193 k = 0.0000 0.0652 0.3602 ( 3584 PWs) bands (ev): -45.1723 -45.1723 -17.2116 -17.2116 -17.0355 -17.0355 -17.0301 -17.0301 -16.4440 -16.4440 -16.3680 -16.3680 -13.5066 -13.5066 -13.3974 -13.3974 -13.3768 -13.3768 -3.8714 -3.8714 3.3095 3.3095 9.0178 9.0178 10.9658 10.9658 13.8574 13.8574 14.4189 14.4189 15.0769 15.0769 k = 0.0000 0.0761 0.3602 ( 3580 PWs) bands (ev): -45.1723 -45.1723 -17.2117 -17.2117 -17.0355 -17.0355 -17.0303 -17.0303 -16.4436 -16.4436 -16.3679 -16.3679 -13.5058 -13.5058 -13.3971 -13.3971 -13.3773 -13.3773 -3.8566 -3.8566 3.3279 3.3279 8.9218 8.9218 10.8972 10.8972 13.9224 13.9224 14.3967 14.3967 14.9426 14.9426 k = 0.0000 0.0870 0.3602 ( 3566 PWs) bands (ev): -45.1723 -45.1723 -17.2118 -17.2118 -17.0356 -17.0356 -17.0305 -17.0305 -16.4431 -16.4431 -16.3678 -16.3678 -13.5048 -13.5048 -13.3966 -13.3966 -13.3779 -13.3779 -3.8395 -3.8395 3.3491 3.3491 8.8091 8.8091 10.8373 10.8373 13.9734 13.9734 14.3508 14.3508 14.8363 14.8363 k = 0.0000 0.0978 0.3602 ( 3564 PWs) bands (ev): -45.1722 -45.1722 -17.2120 -17.2120 -17.0358 -17.0358 -17.0307 -17.0307 -16.4427 -16.4427 -16.3677 -16.3677 -13.5037 -13.5037 -13.3962 -13.3962 -13.3785 -13.3785 -3.8202 -3.8202 3.3730 3.3730 8.6807 8.6807 10.7880 10.7880 13.9912 13.9912 14.2882 14.2882 14.7725 14.7725 k = 0.0000 0.1087 0.3602 ( 3564 PWs) bands (ev): -45.1722 -45.1722 -17.2122 -17.2122 -17.0360 -17.0360 -17.0309 -17.0309 -16.4422 -16.4422 -16.3677 -16.3677 -13.5026 -13.5026 -13.3958 -13.3958 -13.3792 -13.3792 -3.7987 -3.7987 3.3995 3.3995 8.5383 8.5383 10.7496 10.7496 13.9353 13.9353 14.2558 14.2558 14.7473 14.7473 k = 0.0000 0.1196 0.3602 ( 3574 PWs) bands (ev): -45.1722 -45.1722 -17.2125 -17.2125 -17.0363 -17.0363 -17.0311 -17.0311 -16.4418 -16.4418 -16.3676 -16.3676 -13.5014 -13.5014 -13.3953 -13.3953 -13.3799 -13.3799 -3.7751 -3.7751 3.4287 3.4287 8.3837 8.3837 10.7219 10.7219 13.8036 13.8036 14.2717 14.2717 14.7468 14.7468 k = 0.0000 0.1304 0.3602 ( 3580 PWs) bands (ev): -45.1721 -45.1721 -17.2128 -17.2128 -17.0367 -17.0367 -17.0312 -17.0312 -16.4412 -16.4412 -16.3675 -16.3675 -13.5002 -13.5002 -13.3948 -13.3948 -13.3807 -13.3807 -3.7494 -3.7494 3.4604 3.4604 8.2191 8.2191 10.7040 10.7040 13.6356 13.6356 14.3087 14.3087 14.7608 14.7608 k = 0.0000 0.1413 0.3602 ( 3574 PWs) bands (ev): -45.1721 -45.1721 -17.2130 -17.2130 -17.0371 -17.0371 -17.0313 -17.0313 -16.4406 -16.4406 -16.3674 -16.3674 -13.4988 -13.4988 -13.3943 -13.3943 -13.3815 -13.3815 -3.7216 -3.7216 3.4946 3.4946 8.0466 8.0466 10.6948 10.6948 13.4528 13.4528 14.3523 14.3523 14.7839 14.7839 k = 0.0000 0.1522 0.3602 ( 3578 PWs) bands (ev): -45.1720 -45.1720 -17.2133 -17.2133 -17.0377 -17.0377 -17.0314 -17.0314 -16.4400 -16.4400 -16.3673 -16.3673 -13.4974 -13.4974 -13.3938 -13.3938 -13.3822 -13.3822 -3.6917 -3.6917 3.5313 3.5313 7.8682 7.8682 10.6931 10.6931 13.2636 13.2636 14.3983 14.3983 14.8131 14.8131 k = 0.0000 0.1630 0.3602 ( 3574 PWs) bands (ev): -45.1720 -45.1720 -17.2136 -17.2136 -17.0382 -17.0382 -17.0313 -17.0313 -16.4394 -16.4394 -16.3672 -16.3672 -13.4959 -13.4959 -13.3933 -13.3933 -13.3828 -13.3828 -3.6600 -3.6600 3.5702 3.5702 7.6855 7.6855 10.6978 10.6978 13.0720 13.0720 14.4454 14.4454 14.8471 14.8471 k = 0.0000 0.1739 0.3602 ( 3582 PWs) bands (ev): -45.1719 -45.1719 -17.2139 -17.2139 -17.0389 -17.0389 -17.0313 -17.0313 -16.4388 -16.4388 -16.3671 -16.3671 -13.4945 -13.4945 -13.3930 -13.3930 -13.3833 -13.3833 -3.6263 -3.6263 3.6113 3.6113 7.5002 7.5002 10.7078 10.7078 12.8801 12.8801 14.4934 14.4934 14.8849 14.8849 k = 0.0000 0.1848 0.3602 ( 3586 PWs) bands (ev): -45.1719 -45.1719 -17.2143 -17.2143 -17.0396 -17.0396 -17.0313 -17.0313 -16.4382 -16.4382 -16.3669 -16.3669 -13.4930 -13.4930 -13.3929 -13.3929 -13.3835 -13.3835 -3.5907 -3.5907 3.6545 3.6545 7.3135 7.3135 10.7221 10.7221 12.6893 12.6893 14.5422 14.5422 14.9261 14.9261 k = 0.0000 0.1957 0.3602 ( 3598 PWs) bands (ev): -45.1718 -45.1718 -17.2147 -17.2147 -17.0403 -17.0403 -17.0312 -17.0312 -16.4376 -16.4376 -16.3668 -16.3668 -13.4916 -13.4916 -13.3930 -13.3930 -13.3835 -13.3835 -3.5534 -3.5534 3.6996 3.6996 7.1265 7.1265 10.7397 10.7397 12.5008 12.5008 14.5920 14.5920 14.9702 14.9702 k = 0.0000 0.2065 0.3602 ( 3598 PWs) bands (ev): -45.1718 -45.1718 -17.2151 -17.2151 -17.0410 -17.0410 -17.0312 -17.0312 -16.4369 -16.4369 -16.3667 -16.3667 -13.4901 -13.4901 -13.3934 -13.3934 -13.3832 -13.3832 -3.5145 -3.5145 3.7463 3.7463 6.9403 6.9403 10.7594 10.7594 12.3155 12.3155 14.6429 14.6429 15.0170 15.0170 k = 0.0000 0.2174 0.3602 ( 3602 PWs) bands (ev): -45.1717 -45.1717 -17.2154 -17.2154 -17.0418 -17.0418 -17.0311 -17.0311 -16.4362 -16.4362 -16.3665 -16.3665 -13.4887 -13.4887 -13.3939 -13.3939 -13.3826 -13.3826 -3.4739 -3.4739 3.7946 3.7946 6.7559 6.7559 10.7800 10.7800 12.1347 12.1347 14.6950 14.6950 15.0663 15.0663 k = 0.0000 0.2283 0.3602 ( 3606 PWs) bands (ev): -45.1716 -45.1716 -17.2159 -17.2159 -17.0426 -17.0426 -17.0309 -17.0309 -16.4356 -16.4356 -16.3663 -16.3663 -13.4873 -13.4873 -13.3946 -13.3946 -13.3818 -13.3818 -3.4319 -3.4319 3.8440 3.8440 6.5740 6.5740 10.7997 10.7997 11.9601 11.9601 14.7485 14.7485 15.1178 15.1178 k = 0.0000 0.2391 0.3602 ( 3610 PWs) bands (ev): -45.1716 -45.1716 -17.2163 -17.2163 -17.0434 -17.0434 -17.0308 -17.0308 -16.4350 -16.4350 -16.3662 -16.3662 -13.4859 -13.4859 -13.3955 -13.3955 -13.3808 -13.3808 -3.3885 -3.3885 3.8942 3.8942 6.3957 6.3957 10.8158 10.8158 11.7942 11.7942 14.8035 14.8035 15.1714 15.1714 k = 0.0000 0.2500 0.3602 ( 3610 PWs) bands (ev): -45.1715 -45.1715 -17.2167 -17.2167 -17.0442 -17.0442 -17.0307 -17.0307 -16.4343 -16.4343 -16.3660 -16.3660 -13.4846 -13.4846 -13.3963 -13.3963 -13.3796 -13.3796 -3.3439 -3.3439 3.9447 3.9447 6.2217 6.2217 10.8239 10.8239 11.6413 11.6413 14.8601 14.8601 15.2270 15.2270 k = 0.0000 0.2609 0.3602 ( 3606 PWs) bands (ev): -45.1715 -45.1715 -17.2171 -17.2171 -17.0449 -17.0449 -17.0305 -17.0305 -16.4337 -16.4337 -16.3657 -16.3657 -13.4833 -13.4833 -13.3972 -13.3972 -13.3784 -13.3784 -3.2982 -3.2982 3.9948 3.9948 6.0532 6.0532 10.8166 10.8166 11.5086 11.5086 14.9182 14.9182 15.2843 15.2843 k = 0.0000 0.2717 0.3602 ( 3594 PWs) bands (ev): -45.1714 -45.1714 -17.2175 -17.2175 -17.0456 -17.0456 -17.0303 -17.0303 -16.4330 -16.4330 -16.3655 -16.3655 -13.4821 -13.4821 -13.3981 -13.3981 -13.3770 -13.3770 -3.2516 -3.2516 4.0437 4.0437 5.8913 5.8913 10.7837 10.7837 11.4064 11.4064 14.9780 14.9780 15.3432 15.3432 k = 0.0000 0.2826 0.3602 ( 3590 PWs) bands (ev): -45.1713 -45.1713 -17.2179 -17.2179 -17.0464 -17.0464 -17.0302 -17.0302 -16.4324 -16.4324 -16.3652 -16.3652 -13.4810 -13.4810 -13.3990 -13.3990 -13.3756 -13.3756 -3.2043 -3.2043 4.0902 4.0902 5.7374 5.7374 10.7166 10.7166 11.3429 11.3429 15.0395 15.0395 15.4035 15.4035 k = 0.0000 0.2935 0.3602 ( 3586 PWs) bands (ev): -45.1712 -45.1712 -17.2183 -17.2183 -17.0471 -17.0471 -17.0300 -17.0300 -16.4318 -16.4318 -16.3650 -16.3650 -13.4799 -13.4799 -13.3998 -13.3998 -13.3741 -13.3741 -3.1564 -3.1564 4.1327 4.1327 5.5935 5.5935 10.6171 10.6171 11.3165 11.3165 15.1027 15.1027 15.4650 15.4650 k = 0.0000 0.3043 0.3602 ( 3590 PWs) bands (ev): -45.1712 -45.1712 -17.2187 -17.2187 -17.0478 -17.0478 -17.0298 -17.0298 -16.4313 -16.4313 -16.3648 -16.3648 -13.4790 -13.4790 -13.4007 -13.4007 -13.3726 -13.3726 -3.1081 -3.1081 4.1688 4.1688 5.4620 5.4620 10.4956 10.4956 11.3166 11.3166 15.1676 15.1676 15.5275 15.5275 k = 0.0000 0.3152 0.3602 ( 3590 PWs) bands (ev): -45.1711 -45.1711 -17.2191 -17.2191 -17.0485 -17.0485 -17.0297 -17.0297 -16.4308 -16.4308 -16.3646 -16.3646 -13.4782 -13.4782 -13.4015 -13.4015 -13.3711 -13.3711 -3.0598 -3.0598 4.1954 4.1954 5.3462 5.3462 10.3625 10.3625 11.3329 11.3329 15.2340 15.2340 15.5908 15.5908 k = 0.0000 0.3261 0.3602 ( 3592 PWs) bands (ev): -45.1711 -45.1711 -17.2195 -17.2195 -17.0492 -17.0492 -17.0295 -17.0295 -16.4303 -16.4303 -16.3644 -16.3644 -13.4774 -13.4774 -13.4023 -13.4023 -13.3696 -13.3696 -3.0116 -3.0116 4.2089 4.2089 5.2500 5.2500 10.2245 10.2245 11.3585 11.3585 15.3019 15.3019 15.6547 15.6547 k = 0.0000 0.3370 0.3602 ( 3592 PWs) bands (ev): -45.1710 -45.1710 -17.2199 -17.2199 -17.0499 -17.0499 -17.0294 -17.0294 -16.4299 -16.4299 -16.3642 -16.3642 -13.4767 -13.4767 -13.4030 -13.4030 -13.3681 -13.3681 -2.9638 -2.9638 4.2053 4.2053 5.1774 5.1774 10.0857 10.0857 11.3893 11.3893 15.3711 15.3711 15.7192 15.7192 k = 0.0000 0.3478 0.3602 ( 3592 PWs) bands (ev): -45.1710 -45.1710 -17.2203 -17.2203 -17.0505 -17.0505 -17.0292 -17.0292 -16.4294 -16.4294 -16.3639 -16.3639 -13.4761 -13.4761 -13.4037 -13.4037 -13.3667 -13.3667 -2.9167 -2.9167 4.1822 4.1822 5.1308 5.1308 9.9486 9.9486 11.4231 11.4231 15.4415 15.4415 15.7839 15.7839 k = 0.0000 0.3587 0.3602 ( 3592 PWs) bands (ev): -45.1709 -45.1709 -17.2207 -17.2207 -17.0511 -17.0511 -17.0291 -17.0291 -16.4290 -16.4290 -16.3637 -16.3637 -13.4756 -13.4756 -13.4043 -13.4043 -13.3652 -13.3652 -2.8706 -2.8706 4.1401 4.1401 5.1097 5.1097 9.8147 9.8147 11.4583 11.4583 15.5127 15.5127 15.8488 15.8488 k = 0.0000 0.3696 0.3602 ( 3596 PWs) bands (ev): -45.1709 -45.1709 -17.2211 -17.2211 -17.0516 -17.0516 -17.0290 -17.0290 -16.4287 -16.4287 -16.3635 -16.3635 -13.4752 -13.4752 -13.4049 -13.4049 -13.3638 -13.3638 -2.8258 -2.8258 4.0829 4.0829 5.1103 5.1103 9.6853 9.6853 11.4938 11.4938 15.5843 15.5843 15.9138 15.9138 k = 0.0000 0.3804 0.3602 ( 3596 PWs) bands (ev): -45.1708 -45.1708 -17.2214 -17.2214 -17.0522 -17.0522 -17.0289 -17.0289 -16.4283 -16.4283 -16.3633 -16.3633 -13.4748 -13.4748 -13.4054 -13.4054 -13.3625 -13.3625 -2.7828 -2.7828 4.0156 4.0156 5.1274 5.1274 9.5614 9.5614 11.5287 11.5287 15.6557 15.6557 15.9790 15.9790 k = 0.0000 0.3913 0.3602 ( 3592 PWs) bands (ev): -45.1708 -45.1708 -17.2218 -17.2218 -17.0526 -17.0526 -17.0287 -17.0287 -16.4280 -16.4280 -16.3631 -16.3631 -13.4745 -13.4745 -13.4058 -13.4058 -13.3612 -13.3612 -2.7417 -2.7417 3.9434 3.9434 5.1557 5.1557 9.4438 9.4438 11.5626 11.5626 15.7261 15.7261 16.0446 16.0446 k = 0.0000 0.4022 0.3602 ( 3596 PWs) bands (ev): -45.1707 -45.1707 -17.2221 -17.2221 -17.0531 -17.0531 -17.0286 -17.0286 -16.4278 -16.4278 -16.3630 -16.3630 -13.4743 -13.4743 -13.4063 -13.4063 -13.3600 -13.3600 -2.7031 -2.7031 3.8705 3.8705 5.1909 5.1909 9.3335 9.3335 11.5947 11.5947 15.7946 15.7946 16.1109 16.1109 k = 0.0000 0.4130 0.3602 ( 3592 PWs) bands (ev): -45.1707 -45.1707 -17.2223 -17.2223 -17.0534 -17.0534 -17.0285 -17.0285 -16.4275 -16.4275 -16.3628 -16.3628 -13.4741 -13.4741 -13.4066 -13.4066 -13.3589 -13.3589 -2.6673 -2.6673 3.7999 3.7999 5.2295 5.2295 9.2312 9.2312 11.6248 11.6248 15.8598 15.8598 16.1782 16.1782 k = 0.0000 0.4239 0.3602 ( 3594 PWs) bands (ev): -45.1707 -45.1707 -17.2226 -17.2226 -17.0538 -17.0538 -17.0284 -17.0284 -16.4273 -16.4273 -16.3627 -16.3627 -13.4739 -13.4739 -13.4069 -13.4069 -13.3579 -13.3579 -2.6346 -2.6346 3.7338 3.7338 5.2691 5.2691 9.1379 9.1379 11.6523 11.6523 15.9205 15.9205 16.2470 16.2470 k = 0.0000 0.4348 0.3602 ( 3598 PWs) bands (ev): -45.1707 -45.1707 -17.2228 -17.2228 -17.0541 -17.0541 -17.0284 -17.0284 -16.4271 -16.4271 -16.3626 -16.3626 -13.4738 -13.4738 -13.4072 -13.4072 -13.3570 -13.3570 -2.6054 -2.6054 3.6740 3.6740 5.3074 5.3074 9.0545 9.0545 11.6769 11.6769 15.9753 15.9753 16.3173 16.3173 k = 0.0000 0.4457 0.3602 ( 3596 PWs) bands (ev): -45.1706 -45.1706 -17.2230 -17.2230 -17.0544 -17.0544 -17.0283 -17.0283 -16.4269 -16.4269 -16.3624 -16.3624 -13.4737 -13.4737 -13.4074 -13.4074 -13.3562 -13.3562 -2.5801 -2.5801 3.6217 3.6217 5.3428 5.3428 8.9819 8.9819 11.6982 11.6982 16.0230 16.0230 16.3887 16.3887 k = 0.0000 0.4565 0.3602 ( 3588 PWs) bands (ev): -45.1706 -45.1706 -17.2231 -17.2231 -17.0545 -17.0545 -17.0282 -17.0282 -16.4267 -16.4267 -16.3623 -16.3623 -13.4736 -13.4736 -13.4076 -13.4076 -13.3555 -13.3555 -2.5589 -2.5589 3.5778 3.5778 5.3738 5.3738 8.9210 8.9210 11.7161 11.7161 16.0628 16.0628 16.4598 16.4598 k = 0.0000 0.4674 0.3602 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2232 -17.2232 -17.0547 -17.0547 -17.0282 -17.0282 -16.4266 -16.4266 -16.3623 -16.3623 -13.4735 -13.4735 -13.4077 -13.4077 -13.3551 -13.3551 -2.5421 -2.5421 3.5429 3.5429 5.3993 5.3993 8.8726 8.8726 11.7303 11.7303 16.0940 16.0940 16.5274 16.5274 k = 0.0000 0.4783 0.3602 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2233 -17.2233 -17.0548 -17.0548 -17.0282 -17.0282 -16.4266 -16.4266 -16.3622 -16.3622 -13.4735 -13.4735 -13.4078 -13.4078 -13.3547 -13.3547 -2.5300 -2.5300 3.5177 3.5177 5.4182 5.4182 8.8375 8.8375 11.7405 11.7405 16.1165 16.1165 16.5864 16.5864 k = 0.0000 0.4891 0.3602 ( 3582 PWs) bands (ev): -45.1706 -45.1706 -17.2233 -17.2233 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3621 -16.3621 -13.4734 -13.4734 -13.4078 -13.4078 -13.3545 -13.3545 -2.5226 -2.5226 3.5024 3.5024 5.4299 5.4299 8.8162 8.8162 11.7467 11.7467 16.1300 16.1300 16.6284 16.6284 k = 0.0000 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3622 -16.3622 -13.4734 -13.4734 -13.4079 -13.4079 -13.3544 -13.3544 -2.5202 -2.5202 3.4973 3.4973 5.4338 5.4338 8.8090 8.8090 11.7488 11.7488 16.1345 16.1345 16.6440 16.6440 k = 0.0000 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3622 -16.3622 -13.4734 -13.4734 -13.4079 -13.4079 -13.3544 -13.3544 -2.5202 -2.5202 3.4973 3.4973 5.4338 5.4338 8.8090 8.8090 11.7488 11.7488 16.1345 16.1345 16.6440 16.6440 k = 0.0109 0.5000 0.3602 ( 3596 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0550 -17.0550 -17.0282 -17.0282 -16.4265 -16.4265 -16.3622 -16.3622 -13.4734 -13.4734 -13.4079 -13.4079 -13.3544 -13.3544 -2.5190 -2.5190 3.4985 3.4985 5.4352 5.4352 8.8104 8.8104 11.7334 11.7334 16.1212 16.1212 16.6681 16.6681 k = 0.0217 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0550 -17.0550 -17.0283 -17.0283 -16.4264 -16.4264 -16.3622 -16.3622 -13.4732 -13.4732 -13.4080 -13.4080 -13.3545 -13.3545 -2.5156 -2.5156 3.5020 3.5020 5.4392 5.4392 8.8147 8.8147 11.6879 11.6879 16.0855 16.0855 16.7350 16.7350 k = 0.0326 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1705 -45.1705 -17.2235 -17.2235 -17.0550 -17.0550 -17.0284 -17.0284 -16.4262 -16.4262 -16.3621 -16.3621 -13.4728 -13.4728 -13.4080 -13.4080 -13.3545 -13.3545 -2.5098 -2.5098 3.5079 3.5079 5.4459 5.4459 8.8218 8.8218 11.6140 11.6140 16.0347 16.0347 16.8338 16.8338 k = 0.0435 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1705 -45.1705 -17.2235 -17.2235 -17.0550 -17.0550 -17.0286 -17.0286 -16.4259 -16.4259 -16.3621 -16.3621 -13.4722 -13.4722 -13.4081 -13.4081 -13.3546 -13.3546 -2.5018 -2.5018 3.5161 3.5161 5.4553 5.4553 8.8318 8.8318 11.5145 11.5145 15.9722 15.9722 16.8455 16.8455 k = 0.0543 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1705 -45.1705 -17.2236 -17.2236 -17.0551 -17.0551 -17.0288 -17.0288 -16.4256 -16.4256 -16.3621 -16.3621 -13.4714 -13.4714 -13.4082 -13.4082 -13.3547 -13.3547 -2.4915 -2.4915 3.5267 3.5267 5.4673 5.4673 8.8446 8.8446 11.3926 11.3926 15.8975 15.8975 16.6627 16.6627 k = 0.0652 0.5000 0.3602 ( 3588 PWs) bands (ev): -45.1705 -45.1705 -17.2237 -17.2237 -17.0552 -17.0552 -17.0292 -17.0292 -16.4252 -16.4252 -16.3621 -16.3621 -13.4706 -13.4706 -13.4084 -13.4084 -13.3548 -13.3548 -2.4790 -2.4790 3.5395 3.5395 5.4820 5.4820 8.8603 8.8603 11.2515 11.2515 15.8082 15.8082 16.4771 16.4771 k = 0.0761 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1705 -45.1705 -17.2238 -17.2238 -17.0552 -17.0552 -17.0295 -17.0295 -16.4247 -16.4247 -16.3621 -16.3621 -13.4696 -13.4696 -13.4086 -13.4086 -13.3549 -13.3549 -2.4642 -2.4642 3.5545 3.5545 5.4993 5.4993 8.8787 8.8787 11.0946 11.0946 15.7015 15.7015 16.2933 16.2933 k = 0.0870 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1704 -45.1704 -17.2239 -17.2239 -17.0553 -17.0553 -17.0299 -17.0299 -16.4241 -16.4241 -16.3621 -16.3621 -13.4684 -13.4684 -13.4087 -13.4087 -13.3551 -13.3551 -2.4472 -2.4472 3.5718 3.5718 5.5192 5.5192 8.9000 8.9000 10.9248 10.9248 15.5754 15.5754 16.1134 16.1134 k = 0.0978 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1704 -45.1704 -17.2241 -17.2241 -17.0555 -17.0555 -17.0303 -17.0303 -16.4235 -16.4235 -16.3620 -16.3620 -13.4672 -13.4672 -13.4089 -13.4089 -13.3552 -13.3552 -2.4279 -2.4279 3.5912 3.5912 5.5416 5.5416 8.9241 8.9241 10.7448 10.7448 15.4303 15.4303 15.9376 15.9376 k = 0.1087 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1703 -45.1703 -17.2242 -17.2242 -17.0556 -17.0556 -17.0308 -17.0308 -16.4229 -16.4229 -16.3620 -16.3620 -13.4659 -13.4659 -13.4091 -13.4091 -13.3555 -13.3555 -2.4065 -2.4065 3.6127 3.6127 5.5665 5.5665 8.9509 8.9509 10.5569 10.5569 15.2690 15.2690 15.7641 15.7641 k = 0.1196 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1703 -45.1703 -17.2244 -17.2244 -17.0558 -17.0558 -17.0313 -17.0313 -16.4222 -16.4222 -16.3620 -16.3620 -13.4645 -13.4645 -13.4092 -13.4092 -13.3556 -13.3556 -2.3830 -2.3830 3.6363 3.6363 5.5939 5.5939 8.9805 8.9805 10.3630 10.3630 15.0953 15.0953 15.5909 15.5909 k = 0.1304 0.5000 0.3602 ( 3588 PWs) bands (ev): -45.1703 -45.1703 -17.2247 -17.2247 -17.0560 -17.0560 -17.0318 -17.0318 -16.4214 -16.4214 -16.3621 -16.3621 -13.4630 -13.4630 -13.4093 -13.4093 -13.3559 -13.3559 -2.3574 -2.3574 3.6619 3.6619 5.6237 5.6237 9.0129 9.0129 10.1648 10.1648 14.9133 14.9133 15.4161 15.4161 k = 0.1413 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1702 -45.1702 -17.2249 -17.2249 -17.0562 -17.0562 -17.0323 -17.0323 -16.4206 -16.4206 -16.3620 -16.3620 -13.4616 -13.4616 -13.4094 -13.4094 -13.3560 -13.3560 -2.3296 -2.3296 3.6893 3.6893 5.6559 5.6559 9.0479 9.0479 9.9638 9.9638 14.7263 14.7263 15.2393 15.2393 k = 0.1522 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1702 -45.1702 -17.2251 -17.2251 -17.0565 -17.0565 -17.0329 -17.0329 -16.4198 -16.4198 -16.3620 -16.3620 -13.4601 -13.4601 -13.4093 -13.4093 -13.3562 -13.3562 -2.2999 -2.2999 3.7185 3.7185 5.6903 5.6903 9.0857 9.0857 9.7613 9.7613 14.5367 14.5367 15.0602 15.0602 k = 0.1630 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1701 -45.1701 -17.2253 -17.2253 -17.0567 -17.0567 -17.0335 -17.0335 -16.4189 -16.4189 -16.3619 -16.3619 -13.4587 -13.4587 -13.4092 -13.4092 -13.3564 -13.3564 -2.2682 -2.2682 3.7494 3.7494 5.7269 5.7269 9.1261 9.1261 9.5582 9.5582 14.3462 14.3462 14.8794 14.8794 k = 0.1739 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1701 -45.1701 -17.2256 -17.2256 -17.0570 -17.0570 -17.0341 -17.0341 -16.4180 -16.4180 -16.3619 -16.3619 -13.4573 -13.4573 -13.4090 -13.4090 -13.3565 -13.3565 -2.2346 -2.2346 3.7819 3.7819 5.7656 5.7656 9.1691 9.1691 9.3555 9.3555 14.1560 14.1560 14.6976 14.6976 k = 0.1848 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1700 -45.1700 -17.2259 -17.2259 -17.0573 -17.0573 -17.0346 -17.0346 -16.4171 -16.4171 -16.3618 -16.3618 -13.4560 -13.4560 -13.4085 -13.4085 -13.3567 -13.3567 -2.1991 -2.1991 3.8158 3.8158 5.8062 5.8062 9.1541 9.1541 9.2148 9.2148 13.9670 13.9670 14.5153 14.5153 k = 0.1957 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1699 -45.1699 -17.2261 -17.2261 -17.0577 -17.0577 -17.0352 -17.0352 -16.4161 -16.4161 -16.3618 -16.3618 -13.4549 -13.4549 -13.4079 -13.4079 -13.3568 -13.3568 -2.1619 -2.1619 3.8510 3.8510 5.8487 5.8487 8.9548 8.9548 9.2630 9.2630 13.7798 13.7798 14.3332 14.3332 k = 0.2065 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1699 -45.1699 -17.2264 -17.2264 -17.0581 -17.0581 -17.0358 -17.0358 -16.4152 -16.4152 -16.3617 -16.3617 -13.4539 -13.4539 -13.4072 -13.4072 -13.3569 -13.3569 -2.1230 -2.1230 3.8873 3.8873 5.8928 5.8928 8.7584 8.7584 9.3137 9.3137 13.5950 13.5950 14.1519 14.1519 k = 0.2174 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1698 -45.1698 -17.2268 -17.2268 -17.0585 -17.0585 -17.0363 -17.0363 -16.4142 -16.4142 -16.3617 -16.3617 -13.4531 -13.4531 -13.4062 -13.4062 -13.3571 -13.3571 -2.0825 -2.0825 3.9245 3.9245 5.9382 5.9382 8.5655 8.5655 9.3669 9.3669 13.4129 13.4129 13.9719 13.9719 k = 0.2283 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1698 -45.1698 -17.2271 -17.2271 -17.0589 -17.0589 -17.0368 -17.0368 -16.4133 -16.4133 -16.3616 -16.3616 -13.4526 -13.4526 -13.4049 -13.4049 -13.3571 -13.3571 -2.0405 -2.0405 3.9625 3.9625 5.9849 5.9849 8.3769 8.3769 9.4224 9.4224 13.2339 13.2339 13.7935 13.7935 k = 0.2391 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1697 -45.1697 -17.2274 -17.2274 -17.0594 -17.0594 -17.0373 -17.0373 -16.4123 -16.4123 -16.3616 -16.3616 -13.4522 -13.4522 -13.4035 -13.4035 -13.3572 -13.3572 -1.9971 -1.9971 4.0009 4.0009 6.0323 6.0323 8.1934 8.1934 9.4804 9.4804 13.0583 13.0583 13.6172 13.6172 k = 0.2500 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1696 -45.1696 -17.2278 -17.2278 -17.0599 -17.0599 -17.0378 -17.0378 -16.4114 -16.4114 -16.3615 -16.3615 -13.4520 -13.4520 -13.4019 -13.4019 -13.3573 -13.3573 -1.9525 -1.9525 4.0396 4.0396 6.0800 6.0800 8.0159 8.0159 9.5406 9.5406 12.8863 12.8863 13.4434 13.4434 k = 0.2609 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1696 -45.1696 -17.2281 -17.2281 -17.0604 -17.0604 -17.0382 -17.0382 -16.4105 -16.4105 -16.3614 -16.3614 -13.4520 -13.4520 -13.4001 -13.4001 -13.3573 -13.3573 -1.9068 -1.9068 4.0782 4.0782 6.1274 6.1274 7.8455 7.8455 9.6030 9.6030 12.7183 12.7183 13.2723 13.2723 k = 0.2717 0.5000 0.3602 ( 3588 PWs) bands (ev): -45.1695 -45.1695 -17.2285 -17.2285 -17.0610 -17.0610 -17.0387 -17.0387 -16.4096 -16.4096 -16.3613 -16.3613 -13.4522 -13.4522 -13.3981 -13.3981 -13.3573 -13.3573 -1.8602 -1.8602 4.1164 4.1164 6.1736 6.1736 7.6833 7.6833 9.6675 9.6675 12.5544 12.5544 13.1042 13.1042 k = 0.2826 0.5000 0.3602 ( 3600 PWs) bands (ev): -45.1695 -45.1695 -17.2289 -17.2289 -17.0616 -17.0616 -17.0391 -17.0391 -16.4087 -16.4087 -16.3613 -16.3613 -13.4526 -13.4526 -13.3961 -13.3961 -13.3574 -13.3574 -1.8128 -1.8128 4.1538 4.1538 6.2172 6.2172 7.5312 7.5312 9.7340 9.7340 12.3949 12.3949 12.9395 12.9395 k = 0.2935 0.5000 0.3602 ( 3600 PWs) bands (ev): -45.1694 -45.1694 -17.2292 -17.2292 -17.0621 -17.0621 -17.0394 -17.0394 -16.4079 -16.4079 -16.3612 -16.3612 -13.4530 -13.4530 -13.3939 -13.3939 -13.3574 -13.3574 -1.7649 -1.7649 4.1901 4.1901 6.2565 6.2565 7.3913 7.3913 9.8023 9.8023 12.2401 12.2401 12.7783 12.7783 k = 0.3043 0.5000 0.3602 ( 3596 PWs) bands (ev): -45.1693 -45.1693 -17.2295 -17.2295 -17.0627 -17.0627 -17.0398 -17.0398 -16.4070 -16.4070 -16.3610 -16.3610 -13.4536 -13.4536 -13.3916 -13.3916 -13.3573 -13.3573 -1.7165 -1.7165 4.2247 4.2247 6.2886 6.2886 7.2668 7.2668 9.8725 9.8725 12.0903 12.0903 12.6211 12.6211 k = 0.3152 0.5000 0.3602 ( 3588 PWs) bands (ev): -45.1693 -45.1693 -17.2299 -17.2299 -17.0632 -17.0632 -17.0400 -17.0400 -16.4062 -16.4062 -16.3609 -16.3609 -13.4542 -13.4542 -13.3892 -13.3892 -13.3573 -13.3573 -1.6681 -1.6681 4.2572 4.2572 6.3098 6.3098 7.1619 7.1619 9.9442 9.9442 11.9456 11.9456 12.4682 12.4682 k = 0.3261 0.5000 0.3602 ( 3588 PWs) bands (ev): -45.1692 -45.1692 -17.2302 -17.2302 -17.0638 -17.0638 -17.0403 -17.0403 -16.4054 -16.4054 -16.3608 -16.3608 -13.4549 -13.4549 -13.3869 -13.3869 -13.3572 -13.3572 -1.6198 -1.6198 4.2871 4.2871 6.3156 6.3156 7.0815 7.0815 10.0172 10.0172 11.8064 11.8064 12.3197 12.3197 k = 0.3370 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1692 -45.1692 -17.2306 -17.2306 -17.0644 -17.0644 -17.0405 -17.0405 -16.4047 -16.4047 -16.3607 -16.3607 -13.4556 -13.4556 -13.3847 -13.3847 -13.3572 -13.3572 -1.5718 -1.5718 4.3139 4.3139 6.3022 6.3022 7.0295 7.0295 10.0915 10.0915 11.6729 11.6729 12.1762 12.1762 k = 0.3478 0.5000 0.3602 ( 3596 PWs) bands (ev): -45.1691 -45.1691 -17.2309 -17.2309 -17.0649 -17.0649 -17.0408 -17.0408 -16.4040 -16.4040 -16.3606 -16.3606 -13.4564 -13.4564 -13.3825 -13.3825 -13.3571 -13.3571 -1.5246 -1.5246 4.3370 4.3370 6.2698 6.2698 7.0062 7.0062 10.1666 10.1666 11.5456 11.5456 12.0380 12.0380 k = 0.3587 0.5000 0.3602 ( 3596 PWs) bands (ev): -45.1691 -45.1691 -17.2312 -17.2312 -17.0654 -17.0654 -17.0410 -17.0410 -16.4034 -16.4034 -16.3605 -16.3605 -13.4572 -13.4572 -13.3803 -13.3803 -13.3570 -13.3570 -1.4783 -1.4783 4.3559 4.3559 6.2229 6.2229 7.0072 7.0072 10.2423 10.2423 11.4246 11.4246 11.9055 11.9055 k = 0.3696 0.5000 0.3602 ( 3596 PWs) bands (ev): -45.1690 -45.1690 -17.2315 -17.2315 -17.0660 -17.0660 -17.0411 -17.0411 -16.4028 -16.4028 -16.3604 -16.3604 -13.4579 -13.4579 -13.3782 -13.3782 -13.3569 -13.3569 -1.4334 -1.4334 4.3704 4.3704 6.1683 6.1683 7.0258 7.0258 10.3182 10.3182 11.3105 11.3105 11.7791 11.7791 k = 0.3804 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1690 -45.1690 -17.2318 -17.2318 -17.0664 -17.0664 -17.0413 -17.0413 -16.4022 -16.4022 -16.3603 -16.3603 -13.4586 -13.4586 -13.3762 -13.3762 -13.3568 -13.3568 -1.3901 -1.3901 4.3801 4.3801 6.1120 6.1120 7.0557 7.0557 10.3938 10.3938 11.2034 11.2034 11.6594 11.6594 k = 0.3913 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1689 -45.1689 -17.2320 -17.2320 -17.0668 -17.0668 -17.0414 -17.0414 -16.4016 -16.4016 -16.3601 -16.3601 -13.4593 -13.4593 -13.3744 -13.3744 -13.3566 -13.3566 -1.3489 -1.3489 4.3851 4.3851 6.0584 6.0584 7.0923 7.0923 10.4684 10.4684 11.1040 11.1040 11.5469 11.5469 k = 0.4022 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1689 -45.1689 -17.2323 -17.2323 -17.0673 -17.0673 -17.0415 -17.0415 -16.4012 -16.4012 -16.3601 -16.3601 -13.4600 -13.4600 -13.3727 -13.3727 -13.3565 -13.3565 -1.3101 -1.3101 4.3856 4.3856 6.0099 6.0099 7.1321 7.1321 10.5415 10.5415 11.0125 11.0125 11.4422 11.4422 k = 0.4130 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1688 -45.1688 -17.2325 -17.2325 -17.0676 -17.0676 -17.0416 -17.0416 -16.4008 -16.4008 -16.3599 -16.3599 -13.4606 -13.4606 -13.3711 -13.3711 -13.3563 -13.3563 -1.2740 -1.2740 4.3821 4.3821 5.9679 5.9679 7.1728 7.1728 10.6118 10.6118 10.9296 10.9296 11.3460 11.3460 k = 0.4239 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1688 -45.1688 -17.2327 -17.2327 -17.0679 -17.0679 -17.0416 -17.0416 -16.4004 -16.4004 -16.3599 -16.3599 -13.4611 -13.4611 -13.3698 -13.3698 -13.3562 -13.3562 -1.2411 -1.2411 4.3754 4.3754 5.9329 5.9329 7.2126 7.2126 10.6778 10.6778 10.8564 10.8564 11.2589 11.2589 k = 0.4348 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1688 -45.1688 -17.2328 -17.2328 -17.0682 -17.0682 -17.0417 -17.0417 -16.4001 -16.4001 -16.3598 -16.3598 -13.4616 -13.4616 -13.3686 -13.3686 -13.3560 -13.3560 -1.2118 -1.2118 4.3666 4.3666 5.9046 5.9046 7.2500 7.2500 10.7320 10.7320 10.7993 10.7993 11.1817 11.1817 k = 0.4457 0.5000 0.3602 ( 3580 PWs) bands (ev): -45.1688 -45.1688 -17.2330 -17.2330 -17.0685 -17.0685 -17.0418 -17.0418 -16.3998 -16.3998 -16.3597 -16.3597 -13.4621 -13.4621 -13.3677 -13.3677 -13.3558 -13.3558 -1.1863 -1.1863 4.3566 4.3566 5.8825 5.8825 7.2837 7.2837 10.7211 10.7211 10.8108 10.8108 11.1151 11.1151 k = 0.4565 0.5000 0.3602 ( 3584 PWs) bands (ev): -45.1688 -45.1688 -17.2331 -17.2331 -17.0687 -17.0687 -17.0418 -17.0418 -16.3996 -16.3996 -16.3597 -16.3597 -13.4624 -13.4624 -13.3669 -13.3669 -13.3557 -13.3557 -1.1649 -1.1649 4.3466 4.3466 5.8659 5.8659 7.3129 7.3129 10.6789 10.6789 10.8557 10.8557 11.0602 11.0602 k = 0.4674 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2332 -17.2332 -17.0688 -17.0688 -17.0419 -17.0419 -16.3994 -16.3994 -16.3596 -16.3596 -13.4627 -13.4627 -13.3662 -13.3662 -13.3555 -13.3555 -1.1480 -1.1480 4.3376 4.3376 5.8539 5.8539 7.3365 7.3365 10.6433 10.6433 10.8940 10.8940 11.0179 11.0179 k = 0.4783 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3993 -16.3993 -16.3596 -16.3596 -13.4629 -13.4629 -13.3658 -13.3658 -13.3554 -13.3554 -1.1358 -1.1358 4.3305 4.3305 5.8459 5.8459 7.3539 7.3539 10.6173 10.6173 10.9199 10.9199 10.9905 10.9905 k = 0.4891 0.5000 0.3602 ( 3572 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3656 -13.3656 -13.3553 -13.3553 -1.1284 -1.1284 4.3260 4.3260 5.8414 5.8414 7.3646 7.3646 10.6016 10.6016 10.9301 10.9301 10.9800 10.9800 k = 0.5000 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3553 -13.3553 -1.1259 -1.1259 4.3244 4.3244 5.8399 5.8399 7.3681 7.3681 10.5963 10.5963 10.9310 10.9310 10.9791 10.9791 k = 0.5000 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3553 -13.3553 -1.1259 -1.1259 4.3244 4.3244 5.8399 5.8399 7.3681 7.3681 10.5963 10.5963 10.9310 10.9310 10.9791 10.9791 k = 0.4923 0.4923 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3992 -16.3992 -16.3596 -16.3596 -13.4630 -13.4630 -13.3656 -13.3656 -13.3553 -13.3553 -1.1284 -1.1284 4.3260 4.3260 5.8414 5.8414 7.3645 7.3645 10.6016 10.6016 10.9309 10.9309 10.9792 10.9792 k = 0.4846 0.4846 0.3602 ( 3584 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3993 -16.3993 -16.3596 -16.3596 -13.4629 -13.4629 -13.3659 -13.3659 -13.3554 -13.3554 -1.1358 -1.1358 4.3307 4.3307 5.8458 5.8458 7.3538 7.3538 10.6174 10.6174 10.9305 10.9305 10.9799 10.9799 k = 0.4769 0.4769 0.3602 ( 3572 PWs) bands (ev): -45.1687 -45.1687 -17.2332 -17.2332 -17.0688 -17.0688 -17.0418 -17.0418 -16.3994 -16.3994 -16.3596 -16.3596 -13.4626 -13.4626 -13.3662 -13.3662 -13.3555 -13.3555 -1.1482 -1.1482 4.3385 4.3385 5.8532 5.8532 7.3359 7.3359 10.6435 10.6435 10.9291 10.9291 10.9824 10.9824 k = 0.4692 0.4692 0.3602 ( 3580 PWs) bands (ev): -45.1687 -45.1687 -17.2331 -17.2331 -17.0687 -17.0687 -17.0418 -17.0418 -16.3996 -16.3996 -16.3597 -16.3597 -13.4624 -13.4624 -13.3669 -13.3669 -13.3557 -13.3557 -1.1653 -1.1653 4.3493 4.3493 5.8635 5.8635 7.3113 7.3113 10.6796 10.6796 10.9267 10.9267 10.9878 10.9878 k = 0.4615 0.4615 0.3602 ( 3576 PWs) bands (ev): -45.1688 -45.1688 -17.2330 -17.2330 -17.0685 -17.0685 -17.0418 -17.0418 -16.3998 -16.3998 -16.3597 -16.3597 -13.4620 -13.4620 -13.3676 -13.3676 -13.3559 -13.3559 -1.1872 -1.1872 4.3632 4.3632 5.8768 5.8768 7.2800 7.2800 10.7248 10.7248 10.9242 10.9242 10.9968 10.9968 k = 0.4538 0.4538 0.3602 ( 3572 PWs) bands (ev): -45.1688 -45.1688 -17.2328 -17.2328 -17.0682 -17.0682 -17.0417 -17.0417 -16.4000 -16.4000 -16.3598 -16.3598 -13.4615 -13.4615 -13.3685 -13.3685 -13.3562 -13.3562 -1.2136 -1.2136 4.3799 4.3799 5.8931 5.8931 7.2425 7.2425 10.7772 10.7772 10.9242 10.9242 11.0096 11.0096 k = 0.4462 0.4462 0.3602 ( 3576 PWs) bands (ev): -45.1688 -45.1688 -17.2326 -17.2326 -17.0679 -17.0679 -17.0417 -17.0417 -16.4004 -16.4004 -16.3599 -16.3599 -13.4610 -13.4610 -13.3695 -13.3695 -13.3565 -13.3565 -1.2444 -1.2444 4.3994 4.3994 5.9124 5.9124 7.1991 7.1991 10.8302 10.8302 10.9334 10.9334 11.0266 11.0266 k = 0.4385 0.4385 0.3602 ( 3576 PWs) bands (ev): -45.1688 -45.1688 -17.2324 -17.2324 -17.0675 -17.0675 -17.0416 -17.0416 -16.4007 -16.4007 -16.3600 -16.3600 -13.4605 -13.4605 -13.3707 -13.3707 -13.3569 -13.3569 -1.2794 -1.2794 4.4216 4.4216 5.9347 5.9347 7.1504 7.1504 10.8670 10.8670 10.9672 10.9672 11.0499 11.0499 k = 0.4308 0.4308 0.3602 ( 3578 PWs) bands (ev): -45.1689 -45.1689 -17.2322 -17.2322 -17.0671 -17.0671 -17.0415 -17.0415 -16.4011 -16.4011 -16.3601 -16.3601 -13.4598 -13.4598 -13.3721 -13.3721 -13.3573 -13.3573 -1.3183 -1.3183 4.4463 4.4463 5.9601 5.9601 7.0967 7.0967 10.8828 10.8828 11.0211 11.0211 11.0892 11.0892 k = 0.4231 0.4231 0.3602 ( 3578 PWs) bands (ev): -45.1689 -45.1689 -17.2319 -17.2319 -17.0667 -17.0667 -17.0414 -17.0414 -16.4016 -16.4016 -16.3602 -16.3602 -13.4591 -13.4591 -13.3736 -13.3736 -13.3577 -13.3577 -1.3610 -1.3610 4.4734 4.4734 5.9886 5.9886 7.0388 7.0388 10.8922 10.8922 11.0631 11.0631 11.1624 11.1624 k = 0.4154 0.4154 0.3602 ( 3580 PWs) bands (ev): -45.1690 -45.1690 -17.2316 -17.2316 -17.0662 -17.0662 -17.0413 -17.0413 -16.4021 -16.4021 -16.3603 -16.3603 -13.4583 -13.4583 -13.3753 -13.3753 -13.3582 -13.3582 -1.4071 -1.4071 4.5025 4.5025 6.0201 6.0201 6.9773 6.9773 10.9022 10.9022 11.0947 11.0947 11.2609 11.2609 k = 0.4077 0.4077 0.3602 ( 3580 PWs) bands (ev): -45.1690 -45.1690 -17.2313 -17.2313 -17.0657 -17.0657 -17.0412 -17.0412 -16.4027 -16.4027 -16.3604 -16.3604 -13.4574 -13.4574 -13.3770 -13.3770 -13.3587 -13.3587 -1.4565 -1.4565 4.5336 4.5336 6.0548 6.0548 6.9127 6.9127 10.9150 10.9150 11.1251 11.1251 11.3734 11.3734 k = 0.4000 0.4000 0.3602 ( 3588 PWs) bands (ev): -45.1691 -45.1691 -17.2310 -17.2310 -17.0652 -17.0652 -17.0411 -17.0411 -16.4033 -16.4033 -16.3606 -16.3606 -13.4566 -13.4566 -13.3789 -13.3789 -13.3593 -13.3593 -1.5088 -1.5088 4.5662 4.5662 6.0926 6.0926 6.8458 6.8458 10.9317 10.9317 11.1568 11.1568 11.4965 11.4965 k = 0.3923 0.3923 0.3602 ( 3588 PWs) bands (ev): -45.1691 -45.1691 -17.2307 -17.2307 -17.0646 -17.0646 -17.0410 -17.0410 -16.4039 -16.4039 -16.3608 -16.3608 -13.4556 -13.4556 -13.3808 -13.3808 -13.3599 -13.3599 -1.5638 -1.5638 4.6001 4.6001 6.1334 6.1334 6.7774 6.7774 10.9525 10.9525 11.1904 11.1904 11.6289 11.6289 k = 0.3846 0.3846 0.3602 ( 3588 PWs) bands (ev): -45.1692 -45.1692 -17.2303 -17.2303 -17.0639 -17.0639 -17.0409 -17.0409 -16.4046 -16.4046 -16.3609 -16.3609 -13.4546 -13.4546 -13.3829 -13.3829 -13.3606 -13.3606 -1.6212 -1.6212 4.6349 4.6349 6.1773 6.1773 6.7084 6.7084 10.9778 10.9778 11.2262 11.2262 11.7699 11.7699 k = 0.3769 0.3769 0.3602 ( 3590 PWs) bands (ev): -45.1693 -45.1693 -17.2299 -17.2299 -17.0633 -17.0633 -17.0407 -17.0407 -16.4053 -16.4053 -16.3611 -16.3611 -13.4536 -13.4536 -13.3850 -13.3850 -13.3613 -13.3613 -1.6808 -1.6808 4.6700 4.6700 6.2240 6.2240 6.6399 6.6399 11.0076 11.0076 11.2643 11.2643 11.9190 11.9190 k = 0.3692 0.3692 0.3602 ( 3590 PWs) bands (ev): -45.1693 -45.1693 -17.2295 -17.2295 -17.0625 -17.0625 -17.0406 -17.0406 -16.4060 -16.4060 -16.3613 -16.3613 -13.4526 -13.4526 -13.3872 -13.3872 -13.3620 -13.3620 -1.7423 -1.7423 4.7050 4.7050 6.2732 6.2732 6.5732 6.5732 11.0418 11.0418 11.3048 11.3048 12.0759 12.0759 k = 0.3615 0.3615 0.3602 ( 3594 PWs) bands (ev): -45.1694 -45.1694 -17.2290 -17.2290 -17.0618 -17.0618 -17.0405 -17.0405 -16.4068 -16.4068 -16.3615 -16.3615 -13.4516 -13.4516 -13.3894 -13.3894 -13.3628 -13.3628 -1.8055 -1.8055 4.7390 4.7390 6.3231 6.3231 6.5110 6.5110 11.0806 11.0806 11.3477 11.3477 12.2401 12.2401 k = 0.3538 0.3538 0.3602 ( 3598 PWs) bands (ev): -45.1695 -45.1695 -17.2286 -17.2286 -17.0611 -17.0611 -17.0404 -17.0404 -16.4077 -16.4077 -16.3617 -16.3617 -13.4506 -13.4506 -13.3917 -13.3917 -13.3636 -13.3636 -1.8701 -1.8701 4.7711 4.7711 6.3645 6.3645 6.4638 6.4638 11.1238 11.1238 11.3931 11.3931 12.4113 12.4113 k = 0.3462 0.3462 0.3602 ( 3596 PWs) bands (ev): -45.1695 -45.1695 -17.2281 -17.2281 -17.0603 -17.0603 -17.0402 -17.0402 -16.4085 -16.4085 -16.3619 -16.3619 -13.4496 -13.4496 -13.3940 -13.3940 -13.3644 -13.3644 -1.9358 -1.9358 4.8005 4.8005 6.3572 6.3572 6.4733 6.4733 11.1714 11.1714 11.4409 11.4409 12.5893 12.5893 k = 0.3385 0.3385 0.3602 ( 3600 PWs) bands (ev): -45.1696 -45.1696 -17.2277 -17.2277 -17.0595 -17.0595 -17.0401 -17.0401 -16.4094 -16.4094 -16.3621 -16.3621 -13.4487 -13.4487 -13.3962 -13.3962 -13.3653 -13.3653 -2.0025 -2.0025 4.8257 4.8257 6.3153 6.3153 6.5267 6.5267 11.2232 11.2232 11.4912 11.4912 12.7735 12.7735 k = 0.3308 0.3308 0.3602 ( 3600 PWs) bands (ev): -45.1697 -45.1697 -17.2272 -17.2272 -17.0586 -17.0586 -17.0399 -17.0399 -16.4103 -16.4103 -16.3623 -16.3623 -13.4479 -13.4479 -13.3984 -13.3984 -13.3661 -13.3661 -2.0699 -2.0699 4.8456 4.8456 6.2736 6.2736 6.5908 6.5908 11.2792 11.2792 11.5440 11.5440 12.9638 12.9638 k = 0.3231 0.3231 0.3602 ( 3594 PWs) bands (ev): -45.1698 -45.1698 -17.2266 -17.2266 -17.0577 -17.0577 -17.0397 -17.0397 -16.4113 -16.4113 -16.3625 -16.3625 -13.4472 -13.4472 -13.4004 -13.4004 -13.3670 -13.3670 -2.1379 -2.1379 4.8587 4.8587 6.2394 6.2394 6.6600 6.6600 11.3393 11.3393 11.5992 11.5992 13.1598 13.1598 k = 0.3154 0.3154 0.3602 ( 3586 PWs) bands (ev): -45.1698 -45.1698 -17.2261 -17.2261 -17.0568 -17.0568 -17.0395 -17.0395 -16.4122 -16.4122 -16.3627 -16.3627 -13.4466 -13.4466 -13.4023 -13.4023 -13.3679 -13.3679 -2.2061 -2.2061 4.8637 4.8637 6.2152 6.2152 6.7332 6.7332 11.4033 11.4033 11.6569 11.6569 13.3610 13.3610 k = 0.3077 0.3077 0.3602 ( 3586 PWs) bands (ev): -45.1699 -45.1699 -17.2256 -17.2256 -17.0559 -17.0559 -17.0393 -17.0393 -16.4132 -16.4132 -16.3629 -16.3629 -13.4463 -13.4463 -13.4040 -13.4040 -13.3689 -13.3689 -2.2745 -2.2745 4.8596 4.8596 6.2027 6.2027 6.8100 6.8100 11.4712 11.4712 11.7171 11.7171 13.5670 13.5670 k = 0.3000 0.3000 0.3602 ( 3586 PWs) bands (ev): -45.1700 -45.1700 -17.2250 -17.2250 -17.0550 -17.0550 -17.0392 -17.0392 -16.4142 -16.4142 -16.3631 -16.3631 -13.4462 -13.4462 -13.4055 -13.4055 -13.3698 -13.3698 -2.3429 -2.3429 4.8458 4.8458 6.2027 6.2027 6.8902 6.8902 11.5428 11.5428 11.7798 11.7798 13.7774 13.7774 k = 0.2923 0.2923 0.3602 ( 3590 PWs) bands (ev): -45.1701 -45.1701 -17.2245 -17.2245 -17.0541 -17.0541 -17.0390 -17.0390 -16.4153 -16.4153 -16.3633 -16.3633 -13.4464 -13.4464 -13.4067 -13.4067 -13.3708 -13.3708 -2.4111 -2.4111 4.8225 4.8225 6.2153 6.2153 6.9738 6.9738 11.6181 11.6181 11.8451 11.8451 13.9916 13.9916 k = 0.2846 0.2846 0.3602 ( 3594 PWs) bands (ev): -45.1702 -45.1702 -17.2240 -17.2240 -17.0532 -17.0532 -17.0389 -17.0389 -16.4163 -16.4163 -16.3635 -16.3635 -13.4469 -13.4469 -13.4076 -13.4076 -13.3718 -13.3718 -2.4788 -2.4788 4.7902 4.7902 6.2401 6.2401 7.0607 7.0607 11.6968 11.6968 11.9128 11.9128 14.2086 14.2086 k = 0.2769 0.2769 0.3602 ( 3598 PWs) bands (ev): -45.1703 -45.1703 -17.2235 -17.2235 -17.0522 -17.0522 -17.0387 -17.0387 -16.4174 -16.4174 -16.3638 -16.3638 -13.4478 -13.4478 -13.4081 -13.4081 -13.3729 -13.3729 -2.5461 -2.5461 4.7500 4.7500 6.2762 6.2762 7.1509 7.1509 11.7790 11.7790 11.9830 11.9830 14.4275 14.4275 k = 0.2692 0.2692 0.3602 ( 3598 PWs) bands (ev): -45.1704 -45.1704 -17.2229 -17.2229 -17.0513 -17.0513 -17.0386 -17.0386 -16.4185 -16.4185 -16.3640 -16.3640 -13.4490 -13.4490 -13.4083 -13.4083 -13.3739 -13.3739 -2.6127 -2.6127 4.7032 4.7032 6.3225 6.3225 7.2443 7.2443 11.8644 11.8644 12.0558 12.0558 14.6466 14.6466 k = 0.2615 0.2615 0.3602 ( 3602 PWs) bands (ev): -45.1705 -45.1705 -17.2224 -17.2224 -17.0503 -17.0503 -17.0384 -17.0384 -16.4196 -16.4196 -16.3642 -16.3642 -13.4506 -13.4506 -13.4081 -13.4081 -13.3749 -13.3749 -2.6785 -2.6785 4.6510 4.6510 6.3778 6.3778 7.3408 7.3408 11.9531 11.9531 12.1311 12.1311 14.8629 14.8629 k = 0.2538 0.2538 0.3602 ( 3598 PWs) bands (ev): -45.1705 -45.1705 -17.2218 -17.2218 -17.0493 -17.0493 -17.0382 -17.0382 -16.4207 -16.4207 -16.3644 -16.3644 -13.4523 -13.4523 -13.4077 -13.4077 -13.3760 -13.3760 -2.7434 -2.7434 4.5947 4.5947 6.4408 6.4408 7.4404 7.4404 12.0447 12.0447 12.2089 12.2089 15.0714 15.0714 k = 0.2462 0.2462 0.3602 ( 3596 PWs) bands (ev): -45.1706 -45.1706 -17.2213 -17.2213 -17.0484 -17.0484 -17.0381 -17.0381 -16.4218 -16.4218 -16.3646 -16.3646 -13.4543 -13.4543 -13.4070 -13.4070 -13.3770 -13.3770 -2.8073 -2.8073 4.5353 4.5353 6.5107 6.5107 7.5431 7.5431 12.1393 12.1393 12.2893 12.2893 15.2619 15.2619 k = 0.2385 0.2385 0.3602 ( 3594 PWs) bands (ev): -45.1707 -45.1707 -17.2207 -17.2207 -17.0474 -17.0474 -17.0379 -17.0379 -16.4229 -16.4229 -16.3648 -16.3648 -13.4565 -13.4565 -13.4061 -13.4061 -13.3780 -13.3780 -2.8700 -2.8700 4.4739 4.4739 6.5865 6.5865 7.6488 7.6488 12.2366 12.2366 12.3722 12.3722 15.4154 15.4154 k = 0.2308 0.2308 0.3602 ( 3598 PWs) bands (ev): -45.1708 -45.1708 -17.2202 -17.2202 -17.0465 -17.0465 -17.0378 -17.0378 -16.4240 -16.4240 -16.3650 -16.3650 -13.4588 -13.4588 -13.4051 -13.4051 -13.3791 -13.3791 -2.9315 -2.9315 4.4111 4.4111 6.6675 6.6675 7.7574 7.7574 12.3366 12.3366 12.4576 12.4576 15.5087 15.5087 k = 0.2231 0.2231 0.3602 ( 3602 PWs) bands (ev): -45.1709 -45.1709 -17.2197 -17.2197 -17.0455 -17.0455 -17.0376 -17.0376 -16.4252 -16.4252 -16.3652 -16.3652 -13.4613 -13.4613 -13.4039 -13.4039 -13.3801 -13.3801 -2.9917 -2.9917 4.3476 4.3476 6.7531 6.7531 7.8689 7.8689 12.4389 12.4389 12.5457 12.5457 15.5398 15.5398 k = 0.2154 0.2154 0.3602 ( 3610 PWs) bands (ev): -45.1710 -45.1710 -17.2192 -17.2192 -17.0446 -17.0446 -17.0376 -17.0376 -16.4263 -16.4263 -16.3655 -16.3655 -13.4638 -13.4638 -13.4027 -13.4027 -13.3812 -13.3812 -3.0505 -3.0505 4.2839 4.2839 6.8427 6.8427 7.9833 7.9833 12.5435 12.5435 12.6363 12.6363 15.5311 15.5311 k = 0.2077 0.2077 0.3602 ( 3606 PWs) bands (ev): -45.1711 -45.1711 -17.2187 -17.2187 -17.0437 -17.0437 -17.0374 -17.0374 -16.4274 -16.4274 -16.3656 -16.3656 -13.4664 -13.4664 -13.4013 -13.4013 -13.3822 -13.3822 -3.1078 -3.1078 4.2206 4.2206 6.9358 6.9358 8.1003 8.1003 12.6500 12.6500 12.7295 12.7295 15.5025 15.5025 k = 0.2000 0.2000 0.3602 ( 3606 PWs) bands (ev): -45.1712 -45.1712 -17.2182 -17.2182 -17.0428 -17.0428 -17.0372 -17.0372 -16.4285 -16.4285 -16.3658 -16.3658 -13.4689 -13.4689 -13.3999 -13.3999 -13.3832 -13.3832 -3.1635 -3.1635 4.1579 4.1579 7.0322 7.0322 8.2201 8.2201 12.7581 12.7581 12.8254 12.8254 15.4651 15.4651 k = 0.1923 0.1923 0.3602 ( 3610 PWs) bands (ev): -45.1713 -45.1713 -17.2178 -17.2178 -17.0419 -17.0419 -17.0371 -17.0371 -16.4296 -16.4296 -16.3660 -16.3660 -13.4715 -13.4715 -13.3985 -13.3985 -13.3842 -13.3842 -3.2176 -3.2176 4.0962 4.0962 7.1314 7.1314 8.3424 8.3424 12.8676 12.8676 12.9241 12.9241 15.4241 15.4241 k = 0.1846 0.1846 0.3602 ( 3614 PWs) bands (ev): -45.1713 -45.1713 -17.2173 -17.2173 -17.0411 -17.0411 -17.0370 -17.0370 -16.4306 -16.4306 -16.3662 -16.3662 -13.4741 -13.4741 -13.3971 -13.3971 -13.3852 -13.3852 -3.2699 -3.2699 4.0357 4.0357 7.2330 7.2330 8.4672 8.4672 12.9779 12.9779 13.0254 13.0254 15.3827 15.3827 k = 0.1769 0.1769 0.3602 ( 3612 PWs) bands (ev): -45.1714 -45.1714 -17.2168 -17.2168 -17.0402 -17.0402 -17.0369 -17.0369 -16.4317 -16.4317 -16.3663 -16.3663 -13.4766 -13.4766 -13.3956 -13.3956 -13.3861 -13.3861 -3.3205 -3.3205 3.9767 3.9767 7.3369 7.3369 8.5943 8.5943 13.0886 13.0886 13.1294 13.1294 15.3426 15.3426 k = 0.1692 0.1692 0.3602 ( 3604 PWs) bands (ev): -45.1715 -45.1715 -17.2164 -17.2164 -17.0393 -17.0393 -17.0367 -17.0367 -16.4326 -16.4326 -16.3665 -16.3665 -13.4790 -13.4790 -13.3941 -13.3941 -13.3870 -13.3870 -3.3693 -3.3693 3.9192 3.9192 7.4426 7.4426 8.7237 8.7237 13.1995 13.1995 13.2358 13.2358 15.3053 15.3053 k = 0.1615 0.1615 0.3602 ( 3604 PWs) bands (ev): -45.1716 -45.1716 -17.2159 -17.2159 -17.0385 -17.0385 -17.0366 -17.0366 -16.4336 -16.4336 -16.3666 -16.3666 -13.4815 -13.4815 -13.3927 -13.3927 -13.3880 -13.3880 -3.4162 -3.4162 3.8636 3.8636 7.5499 7.5499 8.8553 8.8553 13.3102 13.3102 13.3442 13.3442 15.2720 15.2720 k = 0.1538 0.1538 0.3602 ( 3600 PWs) bands (ev): -45.1716 -45.1716 -17.2155 -17.2155 -17.0377 -17.0377 -17.0365 -17.0365 -16.4346 -16.4346 -16.3667 -16.3667 -13.4838 -13.4838 -13.3912 -13.3912 -13.3888 -13.3888 -3.4612 -3.4612 3.8099 3.8099 7.6584 7.6584 8.9887 8.9887 13.4205 13.4205 13.4537 13.4537 15.2438 15.2438 k = 0.1462 0.1462 0.3602 ( 3596 PWs) bands (ev): -45.1717 -45.1717 -17.2151 -17.2151 -17.0370 -17.0370 -17.0363 -17.0363 -16.4355 -16.4355 -16.3669 -16.3669 -13.4861 -13.4861 -13.3899 -13.3899 -13.3896 -13.3896 -3.5043 -3.5043 3.7583 3.7583 7.7679 7.7679 9.1240 9.1240 13.5295 13.5295 13.5642 13.5642 15.2220 15.2220 k = 0.1385 0.1385 0.3602 ( 3588 PWs) bands (ev): -45.1718 -45.1718 -17.2147 -17.2147 -17.0363 -17.0363 -17.0361 -17.0361 -16.4364 -16.4364 -16.3670 -16.3670 -13.4883 -13.4883 -13.3905 -13.3905 -13.3884 -13.3884 -3.5453 -3.5453 3.7089 3.7089 7.8780 7.8780 9.2609 9.2609 13.6352 13.6352 13.6761 13.6761 15.2080 15.2080 k = 0.1308 0.1308 0.3602 ( 3588 PWs) bands (ev): -45.1718 -45.1718 -17.2143 -17.2143 -17.0362 -17.0362 -17.0354 -17.0354 -16.4372 -16.4372 -16.3671 -16.3671 -13.4904 -13.4904 -13.3913 -13.3913 -13.3871 -13.3871 -3.5843 -3.5843 3.6617 3.6617 7.9882 7.9882 9.3992 9.3992 13.7347 13.7347 13.7905 13.7905 15.2030 15.2030 k = 0.1231 0.1231 0.3602 ( 3592 PWs) bands (ev): -45.1719 -45.1719 -17.2140 -17.2140 -17.0361 -17.0361 -17.0348 -17.0348 -16.4381 -16.4381 -16.3672 -16.3672 -13.4924 -13.4924 -13.3921 -13.3921 -13.3859 -13.3859 -3.6213 -3.6213 3.6168 3.6168 8.0982 8.0982 9.5387 9.5387 13.8255 13.8255 13.9077 13.9077 15.2080 15.2080 k = 0.1154 0.1154 0.3602 ( 3590 PWs) bands (ev): -45.1720 -45.1720 -17.2137 -17.2137 -17.0360 -17.0360 -17.0342 -17.0342 -16.4389 -16.4389 -16.3673 -16.3673 -13.4943 -13.4943 -13.3928 -13.3928 -13.3847 -13.3847 -3.6561 -3.6561 3.5744 3.5744 8.2075 8.2075 9.6790 9.6790 13.9054 13.9054 14.0276 14.0276 15.2215 15.2215 k = 0.1077 0.1077 0.3602 ( 3590 PWs) bands (ev): -45.1720 -45.1720 -17.2134 -17.2134 -17.0359 -17.0359 -17.0336 -17.0336 -16.4396 -16.4396 -16.3675 -16.3675 -13.4961 -13.4961 -13.3935 -13.3935 -13.3835 -13.3835 -3.6888 -3.6888 3.5344 3.5344 8.3155 8.3155 9.8198 9.8198 13.9726 13.9726 14.1498 14.1498 15.2309 15.2309 k = 0.1000 0.1000 0.3602 ( 3594 PWs) bands (ev): -45.1721 -45.1721 -17.2131 -17.2131 -17.0358 -17.0358 -17.0330 -17.0330 -16.4403 -16.4403 -16.3676 -16.3676 -13.4979 -13.4979 -13.3942 -13.3942 -13.3825 -13.3825 -3.7194 -3.7194 3.4970 3.4970 8.4217 8.4217 9.9607 9.9607 14.0255 14.0255 14.2739 14.2739 15.1828 15.1828 k = 0.0923 0.0923 0.3602 ( 3582 PWs) bands (ev): -45.1721 -45.1721 -17.2128 -17.2128 -17.0357 -17.0357 -17.0325 -17.0325 -16.4410 -16.4410 -16.3676 -16.3676 -13.4995 -13.4995 -13.3947 -13.3947 -13.3814 -13.3814 -3.7478 -3.7478 3.4621 3.4621 8.5255 8.5255 10.1012 10.1012 14.0630 14.0630 14.3996 14.3996 15.0671 15.0671 k = 0.0846 0.0846 0.3602 ( 3578 PWs) bands (ev): -45.1722 -45.1722 -17.2125 -17.2125 -17.0356 -17.0356 -17.0320 -17.0320 -16.4416 -16.4416 -16.3677 -16.3677 -13.5009 -13.5009 -13.3953 -13.3953 -13.3804 -13.3804 -3.7739 -3.7739 3.4299 3.4299 8.6260 8.6260 10.2408 10.2408 14.0841 14.0841 14.5265 14.5265 14.9359 14.9359 k = 0.0769 0.0769 0.3602 ( 3578 PWs) bands (ev): -45.1722 -45.1722 -17.2123 -17.2123 -17.0356 -17.0356 -17.0315 -17.0315 -16.4421 -16.4421 -16.3677 -16.3677 -13.5023 -13.5023 -13.3958 -13.3958 -13.3795 -13.3795 -3.7979 -3.7979 3.4004 3.4004 8.7226 8.7226 10.3786 10.3786 14.0878 14.0878 14.6543 14.6543 14.8087 14.8087 k = 0.0692 0.0692 0.3602 ( 3570 PWs) bands (ev): -45.1722 -45.1722 -17.2120 -17.2120 -17.0355 -17.0355 -17.0311 -17.0311 -16.4426 -16.4426 -16.3678 -16.3678 -13.5035 -13.5035 -13.3962 -13.3962 -13.3787 -13.3787 -3.8196 -3.8196 3.3736 3.3736 8.8144 8.8144 10.5138 10.5138 14.0717 14.0717 14.6940 14.6940 14.7829 14.7829 k = 0.0615 0.0615 0.3602 ( 3566 PWs) bands (ev): -45.1723 -45.1723 -17.2118 -17.2118 -17.0354 -17.0354 -17.0307 -17.0307 -16.4431 -16.4431 -16.3678 -16.3678 -13.5046 -13.5046 -13.3967 -13.3967 -13.3780 -13.3780 -3.8391 -3.8391 3.3495 3.3495 8.9004 8.9004 10.6451 10.6451 14.0335 14.0335 14.6004 14.6004 14.9104 14.9104 k = 0.0538 0.0538 0.3602 ( 3578 PWs) bands (ev): -45.1723 -45.1723 -17.2117 -17.2117 -17.0354 -17.0354 -17.0304 -17.0304 -16.4435 -16.4435 -16.3679 -16.3679 -13.5057 -13.5057 -13.3971 -13.3971 -13.3774 -13.3774 -3.8563 -3.8563 3.3282 3.3282 8.9796 8.9796 10.7712 10.7712 13.9730 13.9730 14.5311 14.5311 15.0366 15.0366 k = 0.0462 0.0462 0.3602 ( 3578 PWs) bands (ev): -45.1723 -45.1723 -17.2116 -17.2116 -17.0354 -17.0354 -17.0301 -17.0301 -16.4439 -16.4439 -16.3680 -16.3680 -13.5065 -13.5065 -13.3974 -13.3974 -13.3768 -13.3768 -3.8713 -3.8713 3.3097 3.3097 9.0512 9.0512 10.8901 10.8901 13.8955 13.8955 14.4848 14.4848 15.1597 15.1597 k = 0.0385 0.0385 0.3602 ( 3586 PWs) bands (ev): -45.1724 -45.1724 -17.2115 -17.2115 -17.0354 -17.0354 -17.0299 -17.0299 -16.4443 -16.4443 -16.3680 -16.3680 -13.5073 -13.5073 -13.3977 -13.3977 -13.3764 -13.3764 -3.8839 -3.8839 3.2940 3.2940 9.1139 9.1139 10.9995 10.9995 13.8100 13.8100 14.4560 14.4560 15.2775 15.2775 k = 0.0308 0.0308 0.3602 ( 3586 PWs) bands (ev): -45.1724 -45.1724 -17.2114 -17.2114 -17.0353 -17.0353 -17.0298 -17.0298 -16.4446 -16.4446 -16.3681 -16.3681 -13.5079 -13.5079 -13.3979 -13.3979 -13.3760 -13.3760 -3.8943 -3.8943 3.2811 3.2811 9.1668 9.1668 11.0965 11.0965 13.7259 13.7259 14.4390 14.4390 15.3860 15.3860 k = 0.0231 0.0231 0.3602 ( 3582 PWs) bands (ev): -45.1724 -45.1724 -17.2113 -17.2113 -17.0353 -17.0353 -17.0296 -17.0296 -16.4447 -16.4447 -16.3681 -16.3681 -13.5084 -13.5084 -13.3981 -13.3981 -13.3757 -13.3757 -3.9024 -3.9024 3.2711 3.2711 9.2091 9.2091 11.1778 11.1778 13.6512 13.6512 14.4294 14.4294 15.4418 15.4418 k = 0.0154 0.0154 0.3602 ( 3582 PWs) bands (ev): -45.1724 -45.1724 -17.2113 -17.2113 -17.0353 -17.0353 -17.0295 -17.0295 -16.4449 -16.4449 -16.3681 -16.3681 -13.5087 -13.5087 -13.3982 -13.3982 -13.3754 -13.3754 -3.9081 -3.9081 3.2639 3.2639 9.2399 9.2399 11.2396 11.2396 13.5926 13.5926 14.4243 14.4243 15.3950 15.3950 k = 0.0077 0.0077 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3681 -16.3681 -13.5089 -13.5089 -13.3983 -13.3983 -13.3753 -13.3753 -3.9116 -3.9116 3.2596 3.2596 9.2587 9.2587 11.2784 11.2784 13.5552 13.5552 14.4220 14.4220 15.3638 15.3638 k = 0.0000 0.0000 0.3602 ( 3584 PWs) bands (ev): -45.1724 -45.1724 -17.2112 -17.2112 -17.0353 -17.0353 -17.0294 -17.0294 -16.4450 -16.4450 -16.3681 -16.3681 -13.5090 -13.5090 -13.3983 -13.3983 -13.3753 -13.3753 -3.9128 -3.9128 3.2582 3.2582 9.2649 9.2649 11.2917 11.2917 13.5423 13.5423 14.4213 14.4213 15.3533 15.3533 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4736 -13.4736 -13.4056 -13.4056 -13.3564 -13.3564 -2.6539 -2.6539 3.1582 3.1582 7.1397 7.1397 10.6009 10.6009 11.5469 11.5469 12.2530 12.2530 12.4199 12.4199 k = 0.0000 0.5000 0.0109 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4257 -16.4257 -16.3593 -16.3593 -13.4735 -13.4735 -13.4055 -13.4055 -13.3564 -13.3564 -2.6537 -2.6537 3.1589 3.1589 7.1328 7.1328 10.6100 10.6100 11.5409 11.5409 12.1650 12.1650 12.5194 12.5194 k = 0.0000 0.5000 0.0218 ( 3588 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0576 -17.0576 -17.0289 -17.0289 -16.4258 -16.4258 -16.3593 -16.3593 -13.4736 -13.4736 -13.4056 -13.4056 -13.3564 -13.3564 -2.6528 -2.6528 3.1611 3.1611 7.1125 7.1125 10.6365 10.6365 11.5199 11.5199 12.0422 12.0422 12.6797 12.6797 k = 0.0000 0.5000 0.0327 ( 3582 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0575 -17.0575 -17.0288 -17.0288 -16.4258 -16.4258 -16.3593 -16.3593 -13.4736 -13.4736 -13.4056 -13.4056 -13.3563 -13.3563 -2.6514 -2.6514 3.1646 3.1646 7.0795 7.0795 10.6792 10.6792 11.4764 11.4764 11.9415 11.9415 12.8521 12.8521 k = 0.0000 0.5000 0.0437 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0575 -17.0575 -17.0288 -17.0288 -16.4258 -16.4258 -16.3594 -16.3594 -13.4736 -13.4736 -13.4056 -13.4056 -13.3563 -13.3563 -2.6494 -2.6494 3.1696 3.1696 7.0350 7.0350 10.7349 10.7349 11.4037 11.4037 11.8771 11.8771 13.0311 13.0311 k = 0.0000 0.5000 0.0546 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0574 -17.0574 -17.0288 -17.0288 -16.4258 -16.4258 -16.3595 -16.3595 -13.4735 -13.4735 -13.4057 -13.4057 -13.3563 -13.3563 -2.6469 -2.6469 3.1759 3.1759 6.9805 6.9805 10.7986 10.7986 11.3070 11.3070 11.8490 11.8490 13.2149 13.2149 k = 0.0000 0.5000 0.0655 ( 3598 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0574 -17.0574 -17.0289 -17.0289 -16.4258 -16.4258 -16.3596 -16.3596 -13.4736 -13.4736 -13.4058 -13.4058 -13.3563 -13.3563 -2.6438 -2.6438 3.1835 3.1835 6.9177 6.9177 10.8582 10.8582 11.2059 11.2059 11.8490 11.8490 13.4026 13.4026 k = 0.0000 0.5000 0.0764 ( 3598 PWs) bands (ev): -45.1706 -45.1706 -17.2240 -17.2240 -17.0573 -17.0573 -17.0288 -17.0288 -16.4258 -16.4258 -16.3597 -16.3597 -13.4736 -13.4736 -13.4059 -13.4059 -13.3562 -13.3562 -2.6403 -2.6403 3.1924 3.1924 6.8480 6.8480 10.8775 10.8775 11.1421 11.1421 11.8705 11.8705 13.5938 13.5938 k = 0.0000 0.5000 0.0873 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2239 -17.2239 -17.0572 -17.0572 -17.0288 -17.0288 -16.4258 -16.4258 -16.3597 -16.3597 -13.4735 -13.4735 -13.4059 -13.4059 -13.3561 -13.3561 -2.6363 -2.6363 3.2024 3.2024 6.7731 6.7731 10.8126 10.8126 11.1604 11.1604 11.9112 11.9112 13.7881 13.7881 k = 0.0000 0.5000 0.0982 ( 3582 PWs) bands (ev): -45.1706 -45.1706 -17.2239 -17.2239 -17.0571 -17.0571 -17.0287 -17.0287 -16.4258 -16.4258 -16.3598 -16.3598 -13.4735 -13.4735 -13.4059 -13.4059 -13.3561 -13.3561 -2.6318 -2.6318 3.2136 3.2136 6.6944 6.6944 10.6999 10.6999 11.2227 11.2227 11.9718 11.9718 13.9852 13.9852 k = 0.0000 0.5000 0.1092 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2239 -17.2239 -17.0570 -17.0570 -17.0287 -17.0287 -16.4259 -16.4259 -16.3599 -16.3599 -13.4735 -13.4735 -13.4060 -13.4060 -13.3560 -13.3560 -2.6270 -2.6270 3.2258 3.2258 6.6132 6.6132 10.5742 10.5742 11.2913 11.2913 12.0539 12.0539 14.1850 14.1850 k = 0.0000 0.5000 0.1201 ( 3594 PWs) bands (ev): -45.1706 -45.1706 -17.2239 -17.2239 -17.0569 -17.0569 -17.0287 -17.0287 -16.4259 -16.4259 -16.3601 -16.3601 -13.4735 -13.4735 -13.4062 -13.4062 -13.3560 -13.3560 -2.6218 -2.6218 3.2390 3.2390 6.5305 6.5305 10.4457 10.4457 11.3543 11.3543 12.1582 12.1582 14.3872 14.3872 k = 0.0000 0.5000 0.1310 ( 3594 PWs) bands (ev): -45.1706 -45.1706 -17.2239 -17.2239 -17.0568 -17.0568 -17.0287 -17.0287 -16.4260 -16.4260 -16.3602 -16.3602 -13.4735 -13.4735 -13.4063 -13.4063 -13.3559 -13.3559 -2.6163 -2.6163 3.2530 3.2530 6.4474 6.4474 10.3181 10.3181 11.4082 11.4082 12.2837 12.2837 14.5918 14.5918 k = 0.0000 0.5000 0.1419 ( 3594 PWs) bands (ev): -45.1706 -45.1706 -17.2238 -17.2238 -17.0567 -17.0567 -17.0287 -17.0287 -16.4260 -16.4260 -16.3603 -16.3603 -13.4735 -13.4735 -13.4064 -13.4064 -13.3558 -13.3558 -2.6105 -2.6105 3.2677 3.2677 6.3646 6.3646 10.1929 10.1929 11.4532 11.4532 12.4280 12.4280 14.7984 14.7984 k = 0.0000 0.5000 0.1528 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2238 -17.2238 -17.0566 -17.0566 -17.0286 -17.0286 -16.4260 -16.4260 -16.3604 -16.3604 -13.4735 -13.4735 -13.4065 -13.4065 -13.3557 -13.3557 -2.6045 -2.6045 3.2829 3.2829 6.2831 6.2831 10.0709 10.0709 11.4907 11.4907 12.5879 12.5879 15.0070 15.0070 k = 0.0000 0.5000 0.1637 ( 3588 PWs) bands (ev): -45.1706 -45.1706 -17.2238 -17.2238 -17.0564 -17.0564 -17.0286 -17.0286 -16.4260 -16.4260 -16.3605 -16.3605 -13.4735 -13.4735 -13.4066 -13.4066 -13.3556 -13.3556 -2.5983 -2.5983 3.2987 3.2987 6.2033 6.2033 9.9527 9.9527 11.5224 11.5224 12.7606 12.7606 15.2172 15.2172 k = 0.0000 0.5000 0.1746 ( 3582 PWs) bands (ev): -45.1706 -45.1706 -17.2237 -17.2237 -17.0563 -17.0563 -17.0285 -17.0285 -16.4261 -16.4261 -16.3606 -16.3606 -13.4735 -13.4735 -13.4066 -13.4066 -13.3555 -13.3555 -2.5920 -2.5920 3.3148 3.3148 6.1258 6.1258 9.8388 9.8388 11.5499 11.5499 12.9436 12.9436 15.4289 15.4289 k = 0.0000 0.5000 0.1856 ( 3582 PWs) bands (ev): -45.1706 -45.1706 -17.2237 -17.2237 -17.0562 -17.0562 -17.0285 -17.0285 -16.4261 -16.4261 -16.3608 -16.3608 -13.4735 -13.4735 -13.4067 -13.4067 -13.3554 -13.3554 -2.5856 -2.5856 3.3310 3.3310 6.0511 6.0511 9.7295 9.7295 11.5741 11.5741 13.1349 13.1349 15.6416 15.6416 k = 0.0000 0.5000 0.1965 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2237 -17.2237 -17.0561 -17.0561 -17.0285 -17.0285 -16.4262 -16.4262 -16.3609 -16.3609 -13.4735 -13.4735 -13.4069 -13.4069 -13.3553 -13.3553 -2.5793 -2.5793 3.3473 3.3473 5.9796 5.9796 9.6250 9.6250 11.5958 11.5958 13.3330 13.3330 15.8548 15.8548 k = 0.0000 0.5000 0.2074 ( 3590 PWs) bands (ev): -45.1706 -45.1706 -17.2236 -17.2236 -17.0559 -17.0559 -17.0284 -17.0284 -16.4262 -16.4262 -16.3611 -16.3611 -13.4735 -13.4735 -13.4070 -13.4070 -13.3552 -13.3552 -2.5730 -2.5730 3.3634 3.3634 5.9116 5.9116 9.5257 9.5257 11.6155 11.6155 13.5367 13.5367 16.0676 16.0676 k = 0.0000 0.5000 0.2183 ( 3584 PWs) bands (ev): -45.1706 -45.1706 -17.2236 -17.2236 -17.0558 -17.0558 -17.0284 -17.0284 -16.4262 -16.4262 -16.3612 -16.3612 -13.4735 -13.4735 -13.4071 -13.4071 -13.3551 -13.3551 -2.5668 -2.5668 3.3792 3.3792 5.8475 5.8475 9.4319 9.4319 11.6335 11.6335 13.7447 13.7447 16.2782 16.2782 k = 0.0000 0.5000 0.2292 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2236 -17.2236 -17.0557 -17.0557 -17.0284 -17.0284 -16.4263 -16.4263 -16.3613 -16.3613 -13.4735 -13.4735 -13.4072 -13.4072 -13.3550 -13.3550 -2.5608 -2.5608 3.3946 3.3946 5.7875 5.7875 9.3437 9.3437 11.6501 11.6501 13.9561 13.9561 16.4831 16.4831 k = 0.0000 0.5000 0.2401 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2236 -17.2236 -17.0556 -17.0556 -17.0284 -17.0284 -16.4263 -16.4263 -16.3615 -16.3615 -13.4735 -13.4735 -13.4073 -13.4073 -13.3549 -13.3549 -2.5550 -2.5550 3.4094 3.4094 5.7318 5.7318 9.2615 9.2615 11.6654 11.6654 14.1698 14.1698 16.6737 16.6737 k = 0.0000 0.5000 0.2511 ( 3594 PWs) bands (ev): -45.1706 -45.1706 -17.2236 -17.2236 -17.0555 -17.0555 -17.0283 -17.0283 -16.4264 -16.4264 -16.3616 -16.3616 -13.4735 -13.4735 -13.4074 -13.4074 -13.3549 -13.3549 -2.5495 -2.5495 3.4234 3.4234 5.6806 5.6806 9.1854 9.1854 11.6794 11.6794 14.3849 14.3849 16.8294 16.8294 k = 0.0000 0.5000 0.2620 ( 3594 PWs) bands (ev): -45.1706 -45.1706 -17.2235 -17.2235 -17.0554 -17.0554 -17.0283 -17.0283 -16.4264 -16.4264 -16.3617 -16.3617 -13.4735 -13.4735 -13.4075 -13.4075 -13.3548 -13.3548 -2.5443 -2.5443 3.4366 3.4366 5.6340 5.6340 9.1158 9.1158 11.6922 11.6922 14.6004 14.6004 16.9218 16.9218 k = 0.0000 0.5000 0.2729 ( 3602 PWs) bands (ev): -45.1706 -45.1706 -17.2235 -17.2235 -17.0553 -17.0553 -17.0283 -17.0283 -16.4265 -16.4265 -16.3618 -16.3618 -13.4735 -13.4735 -13.4076 -13.4076 -13.3548 -13.3548 -2.5395 -2.5395 3.4487 3.4487 5.5922 5.5922 9.0528 9.0528 11.7038 11.7038 14.8149 14.8149 16.9586 16.9586 k = 0.0000 0.5000 0.2838 ( 3602 PWs) bands (ev): -45.1706 -45.1706 -17.2235 -17.2235 -17.0553 -17.0553 -17.0283 -17.0283 -16.4265 -16.4265 -16.3619 -16.3619 -13.4735 -13.4735 -13.4077 -13.4077 -13.3547 -13.3547 -2.5352 -2.5352 3.4597 3.4597 5.5551 5.5551 8.9966 8.9966 11.7141 11.7141 15.0271 15.0271 16.9658 16.9658 k = 0.0000 0.5000 0.2947 ( 3586 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0551 -17.0551 -17.0282 -17.0282 -16.4265 -16.4265 -16.3619 -16.3619 -13.4735 -13.4735 -13.4076 -13.4076 -13.3546 -13.3546 -2.5313 -2.5313 3.4694 3.4694 5.5230 5.5230 8.9474 8.9474 11.7231 11.7231 15.2352 15.2352 16.9535 16.9535 k = 0.0000 0.5000 0.3056 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0551 -17.0551 -17.0282 -17.0282 -16.4265 -16.4265 -16.3620 -16.3620 -13.4735 -13.4735 -13.4077 -13.4077 -13.3545 -13.3545 -2.5280 -2.5280 3.4778 3.4778 5.4957 5.4957 8.9055 8.9055 11.7309 11.7309 15.4372 15.4372 16.9240 16.9240 k = 0.0000 0.5000 0.3165 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0550 -17.0550 -17.0282 -17.0282 -16.4265 -16.4265 -16.3620 -16.3620 -13.4735 -13.4735 -13.4078 -13.4078 -13.3545 -13.3545 -2.5252 -2.5252 3.4847 3.4847 5.4735 5.4735 8.8710 8.8710 11.7373 11.7373 15.6300 15.6300 16.8774 16.8774 k = 0.0000 0.5000 0.3275 ( 3596 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0550 -17.0550 -17.0282 -17.0282 -16.4265 -16.4265 -16.3621 -16.3621 -13.4735 -13.4735 -13.4078 -13.4078 -13.3545 -13.3545 -2.5230 -2.5230 3.4902 3.4902 5.4561 5.4561 8.8439 8.8439 11.7423 11.7423 15.8091 15.8091 16.8152 16.8152 k = 0.0000 0.5000 0.3384 ( 3588 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3621 -16.3621 -13.4735 -13.4735 -13.4079 -13.4079 -13.3544 -13.3544 -2.5214 -2.5214 3.4941 3.4941 5.4437 5.4437 8.8246 8.8246 11.7459 11.7459 15.9667 15.9667 16.7427 16.7427 k = 0.0000 0.5000 0.3493 ( 3588 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3621 -16.3621 -13.4735 -13.4735 -13.4079 -13.4079 -13.3544 -13.3544 -2.5205 -2.5205 3.4965 3.4965 5.4363 5.4363 8.8129 8.8129 11.7481 11.7481 16.0863 16.0863 16.6749 16.6749 k = 0.0000 0.5000 0.3602 ( 3592 PWs) bands (ev): -45.1706 -45.1706 -17.2234 -17.2234 -17.0549 -17.0549 -17.0281 -17.0281 -16.4265 -16.4265 -16.3622 -16.3622 -13.4734 -13.4734 -13.4079 -13.4079 -13.3544 -13.3544 -2.5202 -2.5202 3.4973 3.4973 5.4338 5.4338 8.8090 8.8090 11.7488 11.7488 16.1345 16.1345 16.6440 16.6440 k = 0.5000 0.5000-0.0000 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4027 -16.4027 -16.3636 -16.3636 -13.4639 -13.4639 -13.3656 -13.3656 -13.3590 -13.3590 -1.2663 -1.2663 4.1909 4.1909 5.5287 5.5287 9.0841 9.0841 9.9006 9.9006 13.1896 13.1896 13.7812 13.7812 k = 0.5000 0.5000 0.0109 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4027 -16.4027 -16.3636 -16.3636 -13.4639 -13.4639 -13.3656 -13.3656 -13.3590 -13.3590 -1.2660 -1.2660 4.1913 4.1913 5.5293 5.5293 9.0775 9.0775 9.9018 9.9018 13.2003 13.2003 13.7277 13.7277 k = 0.5000 0.5000 0.0218 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0657 -17.0657 -17.0370 -17.0370 -16.4027 -16.4027 -16.3636 -16.3636 -13.4639 -13.4639 -13.3656 -13.3656 -13.3590 -13.3590 -1.2651 -1.2651 4.1922 4.1922 5.5312 5.5312 9.0580 9.0580 9.9052 9.9052 13.2320 13.2320 13.6106 13.6106 k = 0.5000 0.5000 0.0327 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0658 -17.0658 -17.0371 -17.0371 -16.4027 -16.4027 -16.3635 -16.3635 -13.4639 -13.4639 -13.3656 -13.3656 -13.3589 -13.3589 -1.2636 -1.2636 4.1938 4.1938 5.5342 5.5342 9.0263 9.0263 9.9109 9.9109 13.2825 13.2825 13.4751 13.4751 k = 0.5000 0.5000 0.0437 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0658 -17.0658 -17.0371 -17.0371 -16.4026 -16.4026 -16.3635 -16.3635 -13.4639 -13.4639 -13.3656 -13.3656 -13.3589 -13.3589 -1.2615 -1.2615 4.1960 4.1960 5.5385 5.5385 8.9834 8.9834 9.9189 9.9189 13.3055 13.3055 13.3815 13.3815 k = 0.5000 0.5000 0.0546 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2321 -17.2321 -17.0659 -17.0659 -17.0372 -17.0372 -16.4025 -16.4025 -16.3634 -16.3634 -13.4639 -13.4639 -13.3656 -13.3656 -13.3588 -13.3588 -1.2588 -1.2588 4.1987 4.1987 5.5440 5.5440 8.9306 8.9306 9.9290 9.9290 13.1769 13.1769 13.3598 13.3598 k = 0.5000 0.5000 0.0655 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2322 -17.2322 -17.0660 -17.0660 -17.0373 -17.0373 -16.4024 -16.4024 -16.3633 -16.3633 -13.4638 -13.4638 -13.3656 -13.3656 -13.3587 -13.3587 -1.2556 -1.2556 4.2020 4.2020 5.5507 5.5507 8.8694 8.8694 9.9414 9.9414 13.0361 13.0361 13.2101 13.2101 k = 0.5000 0.5000 0.0764 ( 3520 PWs) bands (ev): -45.1687 -45.1687 -17.2322 -17.2322 -17.0660 -17.0660 -17.0374 -17.0374 -16.4023 -16.4023 -16.3631 -16.3631 -13.4638 -13.4638 -13.3656 -13.3656 -13.3585 -13.3585 -1.2519 -1.2519 4.2059 4.2059 5.5584 5.5584 8.8012 8.8012 9.9560 9.9560 12.8968 12.8968 13.0636 13.0636 k = 0.5000 0.5000 0.0873 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2322 -17.2322 -17.0662 -17.0662 -17.0376 -17.0376 -16.4022 -16.4022 -16.3630 -16.3630 -13.4638 -13.4638 -13.3656 -13.3656 -13.3584 -13.3584 -1.2477 -1.2477 4.2102 4.2102 5.5672 5.5672 8.7276 8.7276 9.9726 9.9726 12.7604 12.7604 12.9207 12.9207 k = 0.5000 0.5000 0.0982 ( 3528 PWs) bands (ev): -45.1687 -45.1687 -17.2323 -17.2323 -17.0663 -17.0663 -17.0377 -17.0377 -16.4021 -16.4021 -16.3628 -16.3628 -13.4638 -13.4638 -13.3656 -13.3656 -13.3583 -13.3583 -1.2431 -1.2431 4.2150 4.2150 5.5770 5.5770 8.6498 8.6498 9.9913 9.9913 12.6276 12.6276 12.7816 12.7816 k = 0.5000 0.5000 0.1092 ( 3532 PWs) bands (ev): -45.1687 -45.1687 -17.2323 -17.2323 -17.0664 -17.0664 -17.0379 -17.0379 -16.4020 -16.4020 -16.3627 -16.3627 -13.4637 -13.4637 -13.3656 -13.3656 -13.3581 -13.3581 -1.2380 -1.2380 4.2202 4.2202 5.5877 5.5877 8.5692 8.5692 10.0120 10.0120 12.4985 12.4985 12.6465 12.6465 k = 0.5000 0.5000 0.1201 ( 3532 PWs) bands (ev): -45.1687 -45.1687 -17.2324 -17.2324 -17.0665 -17.0665 -17.0381 -17.0381 -16.4018 -16.4018 -16.3625 -16.3625 -13.4637 -13.4637 -13.3656 -13.3656 -13.3580 -13.3580 -1.2325 -1.2325 4.2257 4.2257 5.5993 5.5993 8.4869 8.4869 10.0346 10.0346 12.3735 12.3735 12.5155 12.5155 k = 0.5000 0.5000 0.1310 ( 3532 PWs) bands (ev): -45.1687 -45.1687 -17.2324 -17.2324 -17.0667 -17.0667 -17.0383 -17.0383 -16.4017 -16.4017 -16.3623 -16.3623 -13.4637 -13.4637 -13.3656 -13.3656 -13.3578 -13.3578 -1.2267 -1.2267 4.2315 4.2315 5.6117 5.6117 8.4038 8.4038 10.0590 10.0590 12.2528 12.2528 12.3887 12.3887 k = 0.5000 0.5000 0.1419 ( 3532 PWs) bands (ev): -45.1687 -45.1687 -17.2324 -17.2324 -17.0668 -17.0668 -17.0386 -17.0386 -16.4015 -16.4015 -16.3622 -16.3622 -13.4636 -13.4636 -13.3655 -13.3655 -13.3577 -13.3577 -1.2207 -1.2207 4.2376 4.2376 5.6247 5.6247 8.3209 8.3209 10.0851 10.0851 12.1365 12.1365 12.2664 12.2664 k = 0.5000 0.5000 0.1528 ( 3536 PWs) bands (ev): -45.1687 -45.1687 -17.2325 -17.2325 -17.0670 -17.0670 -17.0388 -17.0388 -16.4013 -16.4013 -16.3620 -16.3620 -13.4636 -13.4636 -13.3656 -13.3656 -13.3575 -13.3575 -1.2144 -1.2144 4.2438 4.2438 5.6383 5.6383 8.2388 8.2388 10.1127 10.1127 12.0247 12.0247 12.1487 12.1487 k = 0.5000 0.5000 0.1637 ( 3556 PWs) bands (ev): -45.1687 -45.1687 -17.2326 -17.2326 -17.0672 -17.0672 -17.0391 -17.0391 -16.4012 -16.4012 -16.3619 -16.3619 -13.4636 -13.4636 -13.3656 -13.3656 -13.3574 -13.3574 -1.2079 -1.2079 4.2502 4.2502 5.6524 5.6524 8.1583 8.1583 10.1418 10.1418 11.9177 11.9177 12.0357 12.0357 k = 0.5000 0.5000 0.1746 ( 3564 PWs) bands (ev): -45.1687 -45.1687 -17.2327 -17.2327 -17.0674 -17.0674 -17.0394 -17.0394 -16.4011 -16.4011 -16.3617 -16.3617 -13.4636 -13.4636 -13.3656 -13.3656 -13.3572 -13.3572 -1.2013 -1.2013 4.2566 4.2566 5.6669 5.6669 8.0800 8.0800 10.1723 10.1723 11.8155 11.8155 11.9275 11.9275 k = 0.5000 0.5000 0.1856 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2328 -17.2328 -17.0676 -17.0676 -17.0397 -17.0397 -16.4009 -16.4009 -16.3616 -16.3616 -13.4636 -13.4636 -13.3656 -13.3656 -13.3571 -13.3571 -1.1946 -1.1946 4.2631 4.2631 5.6816 5.6816 8.0043 8.0043 10.2038 10.2038 11.7183 11.7183 11.8243 11.8243 k = 0.5000 0.5000 0.1965 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2329 -17.2329 -17.0677 -17.0677 -17.0399 -17.0399 -16.4007 -16.4007 -16.3614 -16.3614 -13.4635 -13.4635 -13.3656 -13.3656 -13.3570 -13.3570 -1.1879 -1.1879 4.2694 4.2694 5.6964 5.6964 7.9316 7.9316 10.2362 10.2362 11.6261 11.6261 11.7263 11.7263 k = 0.5000 0.5000 0.2074 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2329 -17.2329 -17.0678 -17.0678 -17.0401 -17.0401 -16.4006 -16.4006 -16.3611 -16.3611 -13.4635 -13.4635 -13.3656 -13.3656 -13.3567 -13.3567 -1.1813 -1.1813 4.2756 4.2756 5.7112 5.7112 7.8623 7.8623 10.2692 10.2692 11.5392 11.5392 11.6336 11.6336 k = 0.5000 0.5000 0.2183 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2330 -17.2330 -17.0680 -17.0680 -17.0403 -17.0403 -16.4004 -16.4004 -16.3609 -16.3609 -13.4634 -13.4634 -13.3656 -13.3656 -13.3565 -13.3565 -1.1748 -1.1748 4.2817 4.2817 5.7259 5.7259 7.7968 7.7968 10.3027 10.3027 11.4576 11.4576 11.5463 11.5463 k = 0.5000 0.5000 0.2292 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2330 -17.2330 -17.0681 -17.0681 -17.0405 -17.0405 -16.4002 -16.4002 -16.3607 -16.3607 -13.4634 -13.4634 -13.3656 -13.3656 -13.3564 -13.3564 -1.1685 -1.1685 4.2875 4.2875 5.7402 5.7402 7.7354 7.7354 10.3362 10.3362 11.3815 11.3815 11.4648 11.4648 k = 0.5000 0.5000 0.2401 ( 3560 PWs) bands (ev): -45.1687 -45.1687 -17.2330 -17.2330 -17.0682 -17.0682 -17.0406 -17.0406 -16.4000 -16.4000 -16.3605 -16.3605 -13.4633 -13.4633 -13.3655 -13.3655 -13.3562 -13.3562 -1.1624 -1.1624 4.2930 4.2930 5.7541 5.7541 7.6781 7.6781 10.3695 10.3695 11.3109 11.3109 11.3890 11.3890 k = 0.5000 0.5000 0.2511 ( 3552 PWs) bands (ev): -45.1687 -45.1687 -17.2330 -17.2330 -17.0683 -17.0683 -17.0408 -17.0408 -16.3999 -16.3999 -16.3603 -16.3603 -13.4632 -13.4632 -13.3655 -13.3655 -13.3560 -13.3560 -1.1566 -1.1566 4.2981 4.2981 5.7674 5.7674 7.6254 7.6254 10.4021 10.4021 11.2461 11.2461 11.3192 11.3192 k = 0.5000 0.5000 0.2620 ( 3552 PWs) bands (ev): -45.1687 -45.1687 -17.2331 -17.2331 -17.0684 -17.0684 -17.0410 -17.0410 -16.3997 -16.3997 -16.3602 -16.3602 -13.4632 -13.4632 -13.3655 -13.3655 -13.3558 -13.3558 -1.1512 -1.1512 4.3029 4.3029 5.7800 5.7800 7.5772 7.5772 10.4338 10.4338 11.1870 11.1870 11.2555 11.2555 k = 0.5000 0.5000 0.2729 ( 3552 PWs) bands (ev): -45.1687 -45.1687 -17.2331 -17.2331 -17.0686 -17.0686 -17.0411 -17.0411 -16.3996 -16.3996 -16.3600 -16.3600 -13.4631 -13.4631 -13.3654 -13.3654 -13.3557 -13.3557 -1.1462 -1.1462 4.3073 4.3073 5.7917 5.7917 7.5338 7.5338 10.4639 10.4639 11.1338 11.1338 11.1981 11.1981 k = 0.5000 0.5000 0.2838 ( 3548 PWs) bands (ev): -45.1687 -45.1687 -17.2331 -17.2331 -17.0686 -17.0686 -17.0413 -17.0413 -16.3994 -16.3994 -16.3599 -16.3599 -13.4630 -13.4630 -13.3654 -13.3654 -13.3557 -13.3557 -1.1416 -1.1416 4.3112 4.3112 5.8024 5.8024 7.4953 7.4953 10.4921 10.4921 11.0867 11.0867 11.1472 11.1472 k = 0.5000 0.5000 0.2947 ( 3564 PWs) bands (ev): -45.1687 -45.1687 -17.2332 -17.2332 -17.0687 -17.0687 -17.0415 -17.0415 -16.3994 -16.3994 -16.3599 -16.3599 -13.4631 -13.4631 -13.3654 -13.3654 -13.3556 -13.3556 -1.1376 -1.1376 4.3147 4.3147 5.8120 5.8120 7.4618 7.4618 10.5179 10.5179 11.0456 11.0456 11.1028 11.1028 k = 0.5000 0.5000 0.3056 ( 3556 PWs) bands (ev): -45.1687 -45.1687 -17.2332 -17.2332 -17.0688 -17.0688 -17.0416 -17.0416 -16.3993 -16.3993 -16.3597 -16.3597 -13.4630 -13.4630 -13.3654 -13.3654 -13.3555 -13.3555 -1.1341 -1.1341 4.3176 4.3176 5.8203 5.8203 7.4333 7.4333 10.5407 10.5407 11.0108 11.0108 11.0651 11.0651 k = 0.5000 0.5000 0.3165 ( 3564 PWs) bands (ev): -45.1687 -45.1687 -17.2332 -17.2332 -17.0689 -17.0689 -17.0417 -17.0417 -16.3992 -16.3992 -16.3597 -16.3597 -13.4630 -13.4630 -13.3654 -13.3654 -13.3555 -13.3555 -1.1312 -1.1312 4.3200 4.3200 5.8272 5.8272 7.4099 7.4099 10.5601 10.5601 10.9821 10.9821 11.0342 11.0342 k = 0.5000 0.5000 0.3275 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0689 -17.0689 -17.0418 -17.0418 -16.3992 -16.3992 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3554 -13.3554 -1.1289 -1.1289 4.3219 4.3219 5.8327 5.8327 7.3916 7.3916 10.5757 10.5757 10.9598 10.9598 11.0101 11.0101 k = 0.5000 0.5000 0.3384 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3553 -13.3553 -1.1272 -1.1272 4.3233 4.3233 5.8367 5.8367 7.3786 7.3786 10.5870 10.5870 10.9438 10.9438 10.9929 10.9929 k = 0.5000 0.5000 0.3493 ( 3568 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3553 -13.3553 -1.1262 -1.1262 4.3241 4.3241 5.8391 5.8391 7.3708 7.3708 10.5940 10.5940 10.9342 10.9342 10.9825 10.9825 k = 0.5000 0.5000 0.3602 ( 3576 PWs) bands (ev): -45.1687 -45.1687 -17.2333 -17.2333 -17.0690 -17.0690 -17.0419 -17.0419 -16.3991 -16.3991 -16.3596 -16.3596 -13.4630 -13.4630 -13.3655 -13.3655 -13.3553 -13.3553 -1.1259 -1.1259 4.3244 4.3244 5.8399 5.8399 7.3681 7.3681 10.5963 10.5963 10.9310 10.9310 10.9791 10.9791 Writing output data file NaBi.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 61.09s CPU 62.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 61.08s CPU 62.48s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 422 calls) cegterg : 55.36s CPU 56.29s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 30.36s CPU 31.36s WALL ( 6343 calls) s_psi : 0.73s CPU 0.77s WALL ( 6343 calls) g_psi : 0.11s CPU 0.11s WALL ( 5492 calls) cdiaghg : 24.11s CPU 24.06s WALL ( 5914 calls) cegterg:over : 1.85s CPU 1.84s WALL ( 5492 calls) cegterg:upda : 1.31s CPU 1.45s WALL ( 5492 calls) cegterg:last : 0.60s CPU 0.71s WALL ( 894 calls) cdiaghg:chol : 1.27s CPU 1.23s WALL ( 5914 calls) cdiaghg:inve : 0.64s CPU 0.71s WALL ( 5914 calls) cdiaghg:para : 1.22s CPU 1.33s WALL ( 11828 calls) Called by h_psi: h_psi:vloc : 28.60s CPU 29.51s WALL ( 6343 calls) h_psi:vnl : 1.70s CPU 1.80s WALL ( 6343 calls) add_vuspsi : 0.89s CPU 0.94s WALL ( 6343 calls) General routines calbec : 0.79s CPU 0.84s WALL ( 6343 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.87s CPU 27.76s WALL ( 411216 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 844 calls) Parallel routines fft_scatter : 10.69s CPU 11.05s WALL ( 411239 calls) PWSCF : 1m13.52s CPU 1m24.84s WALL This run was terminated on: 14:28: 6 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=