Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:26: 4 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 28 8 1190 887 144 Max 35 29 9 1197 906 149 Sum 1101 917 277 38151 28667 4693 bravais-lattice index = 14 lattice parameter (alat) = 6.5385 a.u. unit-cell volume = 387.7841 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.538452 celldm(2)= 1.000000 celldm(3)= 1.387283 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 1.387283 ) 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 0.720833 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Na read from file: /home/autes/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 5.00 208.98040 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: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 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 0.0109217), wk = 0.0023697 k( 163) = ( 0.0000000 0.0000000 0.0218434), wk = 0.0023697 k( 164) = ( 0.0000000 0.0000000 0.0327652), wk = 0.0023697 k( 165) = ( 0.0000000 0.0000000 0.0436869), wk = 0.0023697 k( 166) = ( 0.0000000 0.0000000 0.0546086), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.0655303), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.0764520), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.0873737), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.0982955), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.1092172), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.1201389), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.1310606), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.1419823), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.1529040), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.1638258), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.1747475), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.1856692), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.1965909), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.2075126), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.2184343), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.2293561), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.2402778), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.2511995), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.2621212), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.2730429), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.2839646), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.2948864), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.3058081), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.3167298), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.3276515), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.3385732), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.3494949), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.3604167), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.3604167), wk = 0.0023697 k( 196) = ( 0.0000000 0.0108696 0.3604167), wk = 0.0023697 k( 197) = ( 0.0000000 0.0217391 0.3604167), wk = 0.0023697 k( 198) = ( 0.0000000 0.0326087 0.3604167), wk = 0.0023697 k( 199) = ( 0.0000000 0.0434783 0.3604167), wk = 0.0023697 k( 200) = ( 0.0000000 0.0543478 0.3604167), wk = 0.0023697 k( 201) = ( 0.0000000 0.0652174 0.3604167), wk = 0.0023697 k( 202) = ( 0.0000000 0.0760870 0.3604167), wk = 0.0023697 k( 203) = ( 0.0000000 0.0869565 0.3604167), wk = 0.0023697 k( 204) = ( 0.0000000 0.0978261 0.3604167), wk = 0.0023697 k( 205) = ( 0.0000000 0.1086957 0.3604167), wk = 0.0023697 k( 206) = ( 0.0000000 0.1195652 0.3604167), wk = 0.0023697 k( 207) = ( 0.0000000 0.1304348 0.3604167), wk = 0.0023697 k( 208) = ( 0.0000000 0.1413043 0.3604167), wk = 0.0023697 k( 209) = ( 0.0000000 0.1521739 0.3604167), wk = 0.0023697 k( 210) = ( 0.0000000 0.1630435 0.3604167), wk = 0.0023697 k( 211) = ( 0.0000000 0.1739130 0.3604167), wk = 0.0023697 k( 212) = ( 0.0000000 0.1847826 0.3604167), wk = 0.0023697 k( 213) = ( 0.0000000 0.1956522 0.3604167), wk = 0.0023697 k( 214) = ( 0.0000000 0.2065217 0.3604167), wk = 0.0023697 k( 215) = ( 0.0000000 0.2173913 0.3604167), wk = 0.0023697 k( 216) = ( 0.0000000 0.2282609 0.3604167), wk = 0.0023697 k( 217) = ( 0.0000000 0.2391304 0.3604167), wk = 0.0023697 k( 218) = ( 0.0000000 0.2500000 0.3604167), wk = 0.0023697 k( 219) = ( 0.0000000 0.2608696 0.3604167), wk = 0.0023697 k( 220) = ( 0.0000000 0.2717391 0.3604167), wk = 0.0023697 k( 221) = ( 0.0000000 0.2826087 0.3604167), wk = 0.0023697 k( 222) = ( 0.0000000 0.2934783 0.3604167), wk = 0.0023697 k( 223) = ( 0.0000000 0.3043478 0.3604167), wk = 0.0023697 k( 224) = ( 0.0000000 0.3152174 0.3604167), wk = 0.0023697 k( 225) = ( 0.0000000 0.3260870 0.3604167), wk = 0.0023697 k( 226) = ( 0.0000000 0.3369565 0.3604167), wk = 0.0023697 k( 227) = ( 0.0000000 0.3478261 0.3604167), wk = 0.0023697 k( 228) = ( 0.0000000 0.3586956 0.3604167), wk = 0.0023697 k( 229) = ( 0.0000000 0.3695652 0.3604167), wk = 0.0023697 k( 230) = ( 0.0000000 0.3804348 0.3604167), wk = 0.0023697 k( 231) = ( 0.0000000 0.3913044 0.3604167), wk = 0.0023697 k( 232) = ( 0.0000000 0.4021739 0.3604167), wk = 0.0023697 k( 233) = ( 0.0000000 0.4130435 0.3604167), wk = 0.0023697 k( 234) = ( 0.0000000 0.4239130 0.3604167), wk = 0.0023697 k( 235) = ( 0.0000000 0.4347826 0.3604167), wk = 0.0023697 k( 236) = ( 0.0000000 0.4456522 0.3604167), wk = 0.0023697 k( 237) = ( 0.0000000 0.4565217 0.3604167), wk = 0.0023697 k( 238) = ( 0.0000000 0.4673913 0.3604167), wk = 0.0023697 k( 239) = ( 0.0000000 0.4782609 0.3604167), wk = 0.0023697 k( 240) = ( 0.0000000 0.4891304 0.3604167), wk = 0.0023697 k( 241) = ( 0.0000000 0.5000000 0.3604167), wk = 0.0023697 k( 242) = ( 0.0000000 0.5000000 0.3604167), wk = 0.0023697 k( 243) = ( 0.0108696 0.5000000 0.3604167), wk = 0.0023697 k( 244) = ( 0.0217391 0.5000000 0.3604167), wk = 0.0023697 k( 245) = ( 0.0326087 0.5000000 0.3604167), wk = 0.0023697 k( 246) = ( 0.0434783 0.5000000 0.3604167), wk = 0.0023697 k( 247) = ( 0.0543478 0.5000000 0.3604167), wk = 0.0023697 k( 248) = ( 0.0652174 0.5000000 0.3604167), wk = 0.0023697 k( 249) = ( 0.0760870 0.5000000 0.3604167), wk = 0.0023697 k( 250) = ( 0.0869565 0.5000000 0.3604167), wk = 0.0023697 k( 251) = ( 0.0978261 0.5000000 0.3604167), wk = 0.0023697 k( 252) = ( 0.1086957 0.5000000 0.3604167), wk = 0.0023697 k( 253) = ( 0.1195652 0.5000000 0.3604167), wk = 0.0023697 k( 254) = ( 0.1304348 0.5000000 0.3604167), wk = 0.0023697 k( 255) = ( 0.1413043 0.5000000 0.3604167), wk = 0.0023697 k( 256) = ( 0.1521739 0.5000000 0.3604167), wk = 0.0023697 k( 257) = ( 0.1630435 0.5000000 0.3604167), wk = 0.0023697 k( 258) = ( 0.1739130 0.5000000 0.3604167), wk = 0.0023697 k( 259) = ( 0.1847826 0.5000000 0.3604167), wk = 0.0023697 k( 260) = ( 0.1956522 0.5000000 0.3604167), wk = 0.0023697 k( 261) = ( 0.2065217 0.5000000 0.3604167), wk = 0.0023697 k( 262) = ( 0.2173913 0.5000000 0.3604167), wk = 0.0023697 k( 263) = ( 0.2282609 0.5000000 0.3604167), wk = 0.0023697 k( 264) = ( 0.2391304 0.5000000 0.3604167), wk = 0.0023697 k( 265) = ( 0.2500000 0.5000000 0.3604167), wk = 0.0023697 k( 266) = ( 0.2608696 0.5000000 0.3604167), wk = 0.0023697 k( 267) = ( 0.2717391 0.5000000 0.3604167), wk = 0.0023697 k( 268) = ( 0.2826087 0.5000000 0.3604167), wk = 0.0023697 k( 269) = ( 0.2934783 0.5000000 0.3604167), wk = 0.0023697 k( 270) = ( 0.3043478 0.5000000 0.3604167), wk = 0.0023697 k( 271) = ( 0.3152174 0.5000000 0.3604167), wk = 0.0023697 k( 272) = ( 0.3260870 0.5000000 0.3604167), wk = 0.0023697 k( 273) = ( 0.3369565 0.5000000 0.3604167), wk = 0.0023697 k( 274) = ( 0.3478261 0.5000000 0.3604167), wk = 0.0023697 k( 275) = ( 0.3586956 0.5000000 0.3604167), wk = 0.0023697 k( 276) = ( 0.3695652 0.5000000 0.3604167), wk = 0.0023697 k( 277) = ( 0.3804348 0.5000000 0.3604167), wk = 0.0023697 k( 278) = ( 0.3913044 0.5000000 0.3604167), wk = 0.0023697 k( 279) = ( 0.4021739 0.5000000 0.3604167), wk = 0.0023697 k( 280) = ( 0.4130435 0.5000000 0.3604167), wk = 0.0023697 k( 281) = ( 0.4239130 0.5000000 0.3604167), wk = 0.0023697 k( 282) = ( 0.4347826 0.5000000 0.3604167), wk = 0.0023697 k( 283) = ( 0.4456522 0.5000000 0.3604167), wk = 0.0023697 k( 284) = ( 0.4565217 0.5000000 0.3604167), wk = 0.0023697 k( 285) = ( 0.4673913 0.5000000 0.3604167), wk = 0.0023697 k( 286) = ( 0.4782609 0.5000000 0.3604167), wk = 0.0023697 k( 287) = ( 0.4891304 0.5000000 0.3604167), wk = 0.0023697 k( 288) = ( 0.5000000 0.5000000 0.3604167), wk = 0.0023697 k( 289) = ( 0.5000000 0.5000000 0.3604167), wk = 0.0023697 k( 290) = ( 0.4923077 0.4923077 0.3604167), wk = 0.0023697 k( 291) = ( 0.4846154 0.4846154 0.3604167), wk = 0.0023697 k( 292) = ( 0.4769231 0.4769231 0.3604167), wk = 0.0023697 k( 293) = ( 0.4692308 0.4692308 0.3604167), wk = 0.0023697 k( 294) = ( 0.4615385 0.4615385 0.3604167), wk = 0.0023697 k( 295) = ( 0.4538462 0.4538461 0.3604167), wk = 0.0023697 k( 296) = ( 0.4461539 0.4461538 0.3604167), wk = 0.0023697 k( 297) = ( 0.4384615 0.4384615 0.3604167), wk = 0.0023697 k( 298) = ( 0.4307692 0.4307692 0.3604167), wk = 0.0023697 k( 299) = ( 0.4230769 0.4230769 0.3604167), wk = 0.0023697 k( 300) = ( 0.4153846 0.4153846 0.3604167), wk = 0.0023697 k( 301) = ( 0.4076923 0.4076923 0.3604167), wk = 0.0023697 k( 302) = ( 0.4000000 0.4000000 0.3604167), wk = 0.0023697 k( 303) = ( 0.3923077 0.3923077 0.3604167), wk = 0.0023697 k( 304) = ( 0.3846154 0.3846154 0.3604167), wk = 0.0023697 k( 305) = ( 0.3769231 0.3769231 0.3604167), wk = 0.0023697 k( 306) = ( 0.3692308 0.3692308 0.3604167), wk = 0.0023697 k( 307) = ( 0.3615385 0.3615385 0.3604167), wk = 0.0023697 k( 308) = ( 0.3538462 0.3538461 0.3604167), wk = 0.0023697 k( 309) = ( 0.3461538 0.3461538 0.3604167), wk = 0.0023697 k( 310) = ( 0.3384615 0.3384615 0.3604167), wk = 0.0023697 k( 311) = ( 0.3307692 0.3307692 0.3604167), wk = 0.0023697 k( 312) = ( 0.3230769 0.3230769 0.3604167), wk = 0.0023697 k( 313) = ( 0.3153846 0.3153846 0.3604167), wk = 0.0023697 k( 314) = ( 0.3076923 0.3076923 0.3604167), wk = 0.0023697 k( 315) = ( 0.3000000 0.3000000 0.3604167), wk = 0.0023697 k( 316) = ( 0.2923077 0.2923077 0.3604167), wk = 0.0023697 k( 317) = ( 0.2846154 0.2846154 0.3604167), wk = 0.0023697 k( 318) = ( 0.2769231 0.2769231 0.3604167), wk = 0.0023697 k( 319) = ( 0.2692308 0.2692308 0.3604167), wk = 0.0023697 k( 320) = ( 0.2615385 0.2615385 0.3604167), wk = 0.0023697 k( 321) = ( 0.2538461 0.2538461 0.3604167), wk = 0.0023697 k( 322) = ( 0.2461539 0.2461538 0.3604167), wk = 0.0023697 k( 323) = ( 0.2384615 0.2384615 0.3604167), wk = 0.0023697 k( 324) = ( 0.2307692 0.2307692 0.3604167), wk = 0.0023697 k( 325) = ( 0.2230769 0.2230769 0.3604167), wk = 0.0023697 k( 326) = ( 0.2153846 0.2153846 0.3604167), wk = 0.0023697 k( 327) = ( 0.2076923 0.2076923 0.3604167), wk = 0.0023697 k( 328) = ( 0.2000000 0.2000000 0.3604167), wk = 0.0023697 k( 329) = ( 0.1923077 0.1923077 0.3604167), wk = 0.0023697 k( 330) = ( 0.1846154 0.1846154 0.3604167), wk = 0.0023697 k( 331) = ( 0.1769231 0.1769231 0.3604167), wk = 0.0023697 k( 332) = ( 0.1692308 0.1692308 0.3604167), wk = 0.0023697 k( 333) = ( 0.1615385 0.1615385 0.3604167), wk = 0.0023697 k( 334) = ( 0.1538461 0.1538461 0.3604167), wk = 0.0023697 k( 335) = ( 0.1461539 0.1461538 0.3604167), wk = 0.0023697 k( 336) = ( 0.1384615 0.1384615 0.3604167), wk = 0.0023697 k( 337) = ( 0.1307692 0.1307692 0.3604167), wk = 0.0023697 k( 338) = ( 0.1230769 0.1230769 0.3604167), wk = 0.0023697 k( 339) = ( 0.1153846 0.1153846 0.3604167), wk = 0.0023697 k( 340) = ( 0.1076923 0.1076923 0.3604167), wk = 0.0023697 k( 341) = ( 0.1000000 0.1000000 0.3604167), wk = 0.0023697 k( 342) = ( 0.0923077 0.0923077 0.3604167), wk = 0.0023697 k( 343) = ( 0.0846154 0.0846154 0.3604167), wk = 0.0023697 k( 344) = ( 0.0769231 0.0769231 0.3604167), wk = 0.0023697 k( 345) = ( 0.0692308 0.0692308 0.3604167), wk = 0.0023697 k( 346) = ( 0.0615385 0.0615385 0.3604167), wk = 0.0023697 k( 347) = ( 0.0538462 0.0538461 0.3604167), wk = 0.0023697 k( 348) = ( 0.0461539 0.0461538 0.3604167), wk = 0.0023697 k( 349) = ( 0.0384615 0.0384615 0.3604167), wk = 0.0023697 k( 350) = ( 0.0307692 0.0307692 0.3604167), wk = 0.0023697 k( 351) = ( 0.0230769 0.0230769 0.3604167), wk = 0.0023697 k( 352) = ( 0.0153846 0.0153846 0.3604167), wk = 0.0023697 k( 353) = ( 0.0076923 0.0076923 0.3604167), wk = 0.0023697 k( 354) = ( 0.0000000 0.0000000 0.3604167), wk = 0.0023697 k( 355) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 356) = ( 0.0000000 0.5000000 0.0109217), wk = 0.0023697 k( 357) = ( 0.0000000 0.5000000 0.0218434), wk = 0.0023697 k( 358) = ( 0.0000000 0.5000000 0.0327652), wk = 0.0023697 k( 359) = ( 0.0000000 0.5000000 0.0436869), wk = 0.0023697 k( 360) = ( 0.0000000 0.5000000 0.0546086), wk = 0.0023697 k( 361) = ( 0.0000000 0.5000000 0.0655303), wk = 0.0023697 k( 362) = ( 0.0000000 0.5000000 0.0764520), wk = 0.0023697 k( 363) = ( 0.0000000 0.5000000 0.0873737), wk = 0.0023697 k( 364) = ( 0.0000000 0.5000000 0.0982955), wk = 0.0023697 k( 365) = ( 0.0000000 0.5000000 0.1092172), wk = 0.0023697 k( 366) = ( 0.0000000 0.5000000 0.1201389), wk = 0.0023697 k( 367) = ( 0.0000000 0.5000000 0.1310606), wk = 0.0023697 k( 368) = ( 0.0000000 0.5000000 0.1419823), wk = 0.0023697 k( 369) = ( 0.0000000 0.5000000 0.1529040), wk = 0.0023697 k( 370) = ( 0.0000000 0.5000000 0.1638258), wk = 0.0023697 k( 371) = ( 0.0000000 0.5000000 0.1747475), wk = 0.0023697 k( 372) = ( 0.0000000 0.5000000 0.1856692), wk = 0.0023697 k( 373) = ( 0.0000000 0.5000000 0.1965909), wk = 0.0023697 k( 374) = ( 0.0000000 0.5000000 0.2075126), wk = 0.0023697 k( 375) = ( 0.0000000 0.5000000 0.2184343), wk = 0.0023697 k( 376) = ( 0.0000000 0.5000000 0.2293561), wk = 0.0023697 k( 377) = ( 0.0000000 0.5000000 0.2402778), wk = 0.0023697 k( 378) = ( 0.0000000 0.5000000 0.2511995), wk = 0.0023697 k( 379) = ( 0.0000000 0.5000000 0.2621212), wk = 0.0023697 k( 380) = ( 0.0000000 0.5000000 0.2730429), wk = 0.0023697 k( 381) = ( 0.0000000 0.5000000 0.2839646), wk = 0.0023697 k( 382) = ( 0.0000000 0.5000000 0.2948864), wk = 0.0023697 k( 383) = ( 0.0000000 0.5000000 0.3058081), wk = 0.0023697 k( 384) = ( 0.0000000 0.5000000 0.3167298), wk = 0.0023697 k( 385) = ( 0.0000000 0.5000000 0.3276515), wk = 0.0023697 k( 386) = ( 0.0000000 0.5000000 0.3385732), wk = 0.0023697 k( 387) = ( 0.0000000 0.5000000 0.3494949), wk = 0.0023697 k( 388) = ( 0.0000000 0.5000000 0.3604167), wk = 0.0023697 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023697 k( 390) = ( 0.5000000 0.5000000 0.0109217), wk = 0.0023697 k( 391) = ( 0.5000000 0.5000000 0.0218434), wk = 0.0023697 k( 392) = ( 0.5000000 0.5000000 0.0327652), wk = 0.0023697 k( 393) = ( 0.5000000 0.5000000 0.0436869), wk = 0.0023697 k( 394) = ( 0.5000000 0.5000000 0.0546086), wk = 0.0023697 k( 395) = ( 0.5000000 0.5000000 0.0655303), wk = 0.0023697 k( 396) = ( 0.5000000 0.5000000 0.0764520), wk = 0.0023697 k( 397) = ( 0.5000000 0.5000000 0.0873737), wk = 0.0023697 k( 398) = ( 0.5000000 0.5000000 0.0982955), wk = 0.0023697 k( 399) = ( 0.5000000 0.5000000 0.1092172), wk = 0.0023697 k( 400) = ( 0.5000000 0.5000000 0.1201389), wk = 0.0023697 k( 401) = ( 0.5000000 0.5000000 0.1310606), wk = 0.0023697 k( 402) = ( 0.5000000 0.5000000 0.1419823), wk = 0.0023697 k( 403) = ( 0.5000000 0.5000000 0.1529040), wk = 0.0023697 k( 404) = ( 0.5000000 0.5000000 0.1638258), wk = 0.0023697 k( 405) = ( 0.5000000 0.5000000 0.1747475), wk = 0.0023697 k( 406) = ( 0.5000000 0.5000000 0.1856692), wk = 0.0023697 k( 407) = ( 0.5000000 0.5000000 0.1965909), wk = 0.0023697 k( 408) = ( 0.5000000 0.5000000 0.2075126), wk = 0.0023697 k( 409) = ( 0.5000000 0.5000000 0.2184343), wk = 0.0023697 k( 410) = ( 0.5000000 0.5000000 0.2293561), wk = 0.0023697 k( 411) = ( 0.5000000 0.5000000 0.2402778), wk = 0.0023697 k( 412) = ( 0.5000000 0.5000000 0.2511995), wk = 0.0023697 k( 413) = ( 0.5000000 0.5000000 0.2621212), wk = 0.0023697 k( 414) = ( 0.5000000 0.5000000 0.2730429), wk = 0.0023697 k( 415) = ( 0.5000000 0.5000000 0.2839646), wk = 0.0023697 k( 416) = ( 0.5000000 0.5000000 0.2948864), wk = 0.0023697 k( 417) = ( 0.5000000 0.5000000 0.3058081), wk = 0.0023697 k( 418) = ( 0.5000000 0.5000000 0.3167298), wk = 0.0023697 k( 419) = ( 0.5000000 0.5000000 0.3276515), wk = 0.0023697 k( 420) = ( 0.5000000 0.5000000 0.3385732), wk = 0.0023697 k( 421) = ( 0.5000000 0.5000000 0.3494949), wk = 0.0023697 k( 422) = ( 0.5000000 0.5000000 0.3604167), 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 0.3484849), 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 0.4545455), 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 0.4545455), 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 0.0454546), 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: 38151 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 28667 G-vectors FFT dimensions: ( 36, 36, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 238, 22) NL pseudopotentials 0.05 Mb ( 119, 30) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1197) G-vector shells 0.00 Mb ( 595) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 238, 88) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.02 Mb ( 30, 2, 22) The potential is recalculated from file : ./NaBi.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.6 secs Computing kpt #: 21 total cpu time spent up to now is 6.8 secs Computing kpt #: 22 total cpu time spent up to now is 7.1 secs Computing kpt #: 23 total cpu time spent up to now is 7.3 secs Computing kpt #: 24 total cpu time spent up to now is 7.6 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.1 secs Computing kpt #: 27 total cpu time spent up to now is 8.4 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.4 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.4 secs Computing kpt #: 37 total cpu time spent up to now is 10.6 secs Computing kpt #: 38 total cpu time spent up to now is 10.8 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.1 secs Computing kpt #: 41 total cpu time spent up to now is 11.3 secs Computing kpt #: 42 total cpu time spent up to now is 11.5 secs Computing kpt #: 43 total cpu time spent up to now is 11.7 secs Computing kpt #: 44 total cpu time spent up to now is 11.8 secs Computing kpt #: 45 total cpu time spent up to now is 12.0 secs Computing kpt #: 46 total cpu time spent up to now is 12.2 secs Computing kpt #: 47 total cpu time spent up to now is 12.4 secs Computing kpt #: 48 total cpu time spent up to now is 12.6 secs Computing kpt #: 49 total cpu time spent up to now is 12.7 secs Computing kpt #: 50 total cpu time spent up to now is 12.9 secs Computing kpt #: 51 total cpu time spent up to now is 13.1 secs Computing kpt #: 52 total cpu time spent up to now is 13.3 secs Computing kpt #: 53 total cpu time spent up to now is 13.4 secs Computing kpt #: 54 total cpu time spent up to now is 13.6 secs Computing kpt #: 55 total cpu time spent up to now is 13.8 secs Computing kpt #: 56 total cpu time spent up to now is 14.0 secs Computing kpt #: 57 total cpu time spent up to now is 14.2 secs Computing kpt #: 58 total cpu time spent up to now is 14.3 secs Computing kpt #: 59 total cpu time spent up to now is 14.5 secs Computing kpt #: 60 total cpu time spent up to now is 14.7 secs Computing kpt #: 61 total cpu time spent up to now is 14.9 secs Computing kpt #: 62 total cpu time spent up to now is 15.1 secs Computing kpt #: 63 total cpu time spent up to now is 15.3 secs Computing kpt #: 64 total cpu time spent up to now is 15.5 secs Computing kpt #: 65 total cpu time spent up to now is 15.7 secs Computing kpt #: 66 total cpu time spent up to now is 15.9 secs Computing kpt #: 67 total cpu time spent up to now is 16.2 secs Computing kpt #: 68 total cpu time spent up to now is 16.4 secs Computing kpt #: 69 total cpu time spent up to now is 16.7 secs Computing kpt #: 70 total cpu time spent up to now is 17.0 secs Computing kpt #: 71 total cpu time spent up to now is 17.2 secs Computing kpt #: 72 total cpu time spent up to now is 17.5 secs Computing kpt #: 73 total cpu time spent up to now is 17.8 secs Computing kpt #: 74 total cpu time spent up to now is 18.1 secs Computing kpt #: 75 total cpu time spent up to now is 18.4 secs Computing kpt #: 76 total cpu time spent up to now is 18.7 secs Computing kpt #: 77 total cpu time spent up to now is 19.0 secs Computing kpt #: 78 total cpu time spent up to now is 19.2 secs Computing kpt #: 79 total cpu time spent up to now is 19.5 secs Computing kpt #: 80 total cpu time spent up to now is 19.8 secs Computing kpt #: 81 total cpu time spent up to now is 20.1 secs Computing kpt #: 82 total cpu time spent up to now is 20.3 secs Computing kpt #: 83 total cpu time spent up to now is 20.6 secs Computing kpt #: 84 total cpu time spent up to now is 20.9 secs Computing kpt #: 85 total cpu time spent up to now is 21.2 secs Computing kpt #: 86 total cpu time spent up to now is 21.5 secs Computing kpt #: 87 total cpu time spent up to now is 21.8 secs Computing kpt #: 88 total cpu time spent up to now is 22.1 secs Computing kpt #: 89 total cpu time spent up to now is 22.3 secs Computing kpt #: 90 total cpu time spent up to now is 22.6 secs Computing kpt #: 91 total cpu time spent up to now is 22.9 secs Computing kpt #: 92 total cpu time spent up to now is 23.2 secs Computing kpt #: 93 total cpu time spent up to now is 23.4 secs Computing kpt #: 94 total cpu time spent up to now is 23.7 secs Computing kpt #: 95 total cpu time spent up to now is 23.9 secs Computing kpt #: 96 total cpu time spent up to now is 24.2 secs Computing kpt #: 97 total cpu time spent up to now is 24.4 secs Computing kpt #: 98 total cpu time spent up to now is 24.7 secs Computing kpt #: 99 total cpu time spent up to now is 25.0 secs Computing kpt #: 100 total cpu time spent up to now is 25.3 secs Computing kpt #: 101 total cpu time spent up to now is 25.5 secs Computing kpt #: 102 total cpu time spent up to now is 25.8 secs Computing kpt #: 103 total cpu time spent up to now is 26.1 secs Computing kpt #: 104 total cpu time spent up to now is 26.4 secs Computing kpt #: 105 total cpu time spent up to now is 26.7 secs Computing kpt #: 106 total cpu time spent up to now is 27.1 secs Computing kpt #: 107 total cpu time spent up to now is 27.4 secs Computing kpt #: 108 total cpu time spent up to now is 27.7 secs Computing kpt #: 109 total cpu time spent up to now is 28.0 secs Computing kpt #: 110 total cpu time spent up to now is 28.2 secs Computing kpt #: 111 total cpu time spent up to now is 28.5 secs Computing kpt #: 112 total cpu time spent up to now is 28.8 secs Computing kpt #: 113 total cpu time spent up to now is 29.1 secs Computing kpt #: 114 total cpu time spent up to now is 29.3 secs Computing kpt #: 115 total cpu time spent up to now is 29.6 secs Computing kpt #: 116 total cpu time spent up to now is 29.9 secs Computing kpt #: 117 total cpu time spent up to now is 30.2 secs Computing kpt #: 118 total cpu time spent up to now is 30.5 secs Computing kpt #: 119 total cpu time spent up to now is 30.8 secs Computing kpt #: 120 total cpu time spent up to now is 31.1 secs Computing kpt #: 121 total cpu time spent up to now is 31.4 secs Computing kpt #: 122 total cpu time spent up to now is 31.6 secs Computing kpt #: 123 total cpu time spent up to now is 31.9 secs Computing kpt #: 124 total cpu time spent up to now is 32.2 secs Computing kpt #: 125 total cpu time spent up to now is 32.5 secs Computing kpt #: 126 total cpu time spent up to now is 32.8 secs Computing kpt #: 127 total cpu time spent up to now is 33.1 secs Computing kpt #: 128 total cpu time spent up to now is 33.5 secs Computing kpt #: 129 total cpu time spent up to now is 33.8 secs Computing kpt #: 130 total cpu time spent up to now is 34.1 secs Computing kpt #: 131 total cpu time spent up to now is 34.5 secs Computing kpt #: 132 total cpu time spent up to now is 34.8 secs Computing kpt #: 133 total cpu time spent up to now is 35.1 secs Computing kpt #: 134 total cpu time spent up to now is 35.4 secs Computing kpt #: 135 total cpu time spent up to now is 35.7 secs Computing kpt #: 136 total cpu time spent up to now is 36.0 secs Computing kpt #: 137 total cpu time spent up to now is 36.3 secs Computing kpt #: 138 total cpu time spent up to now is 36.6 secs Computing kpt #: 139 total cpu time spent up to now is 36.9 secs Computing kpt #: 140 total cpu time spent up to now is 37.2 secs Computing kpt #: 141 total cpu time spent up to now is 37.6 secs Computing kpt #: 142 total cpu time spent up to now is 37.9 secs Computing kpt #: 143 total cpu time spent up to now is 38.2 secs Computing kpt #: 144 total cpu time spent up to now is 38.5 secs Computing kpt #: 145 total cpu time spent up to now is 38.7 secs Computing kpt #: 146 total cpu time spent up to now is 39.0 secs Computing kpt #: 147 total cpu time spent up to now is 39.3 secs Computing kpt #: 148 total cpu time spent up to now is 39.5 secs Computing kpt #: 149 total cpu time spent up to now is 39.7 secs Computing kpt #: 150 total cpu time spent up to now is 39.9 secs Computing kpt #: 151 total cpu time spent up to now is 40.1 secs Computing kpt #: 152 total cpu time spent up to now is 40.3 secs Computing kpt #: 153 total cpu time spent up to now is 40.5 secs Computing kpt #: 154 total cpu time spent up to now is 40.7 secs Computing kpt #: 155 total cpu time spent up to now is 41.0 secs Computing kpt #: 156 total cpu time spent up to now is 41.2 secs Computing kpt #: 157 total cpu time spent up to now is 41.4 secs Computing kpt #: 158 total cpu time spent up to now is 41.6 secs Computing kpt #: 159 total cpu time spent up to now is 41.8 secs Computing kpt #: 160 total cpu time spent up to now is 42.0 secs Computing kpt #: 161 total cpu time spent up to now is 42.2 secs Computing kpt #: 162 total cpu time spent up to now is 42.4 secs Computing kpt #: 163 total cpu time spent up to now is 42.6 secs Computing kpt #: 164 total cpu time spent up to now is 42.8 secs Computing kpt #: 165 total cpu time spent up to now is 42.9 secs Computing kpt #: 166 total cpu time spent up to now is 43.1 secs Computing kpt #: 167 total cpu time spent up to now is 43.4 secs Computing kpt #: 168 total cpu time spent up to now is 43.6 secs Computing kpt #: 169 total cpu time spent up to now is 43.8 secs Computing kpt #: 170 total cpu time spent up to now is 44.1 secs Computing kpt #: 171 total cpu time spent up to now is 44.3 secs Computing kpt #: 172 total cpu time spent up to now is 44.5 secs Computing kpt #: 173 total cpu time spent up to now is 44.7 secs Computing kpt #: 174 total cpu time spent up to now is 45.0 secs Computing kpt #: 175 total cpu time spent up to now is 45.2 secs Computing kpt #: 176 total cpu time spent up to now is 45.5 secs Computing kpt #: 177 total cpu time spent up to now is 45.7 secs Computing kpt #: 178 total cpu time spent up to now is 46.0 secs Computing kpt #: 179 total cpu time spent up to now is 46.2 secs Computing kpt #: 180 total cpu time spent up to now is 46.4 secs Computing kpt #: 181 total cpu time spent up to now is 46.7 secs Computing kpt #: 182 total cpu time spent up to now is 46.9 secs Computing kpt #: 183 total cpu time spent up to now is 47.2 secs Computing kpt #: 184 total cpu time spent up to now is 47.4 secs Computing kpt #: 185 total cpu time spent up to now is 47.7 secs Computing kpt #: 186 total cpu time spent up to now is 48.0 secs Computing kpt #: 187 total cpu time spent up to now is 48.2 secs Computing kpt #: 188 total cpu time spent up to now is 48.5 secs Computing kpt #: 189 total cpu time spent up to now is 48.7 secs Computing kpt #: 190 total cpu time spent up to now is 49.0 secs Computing kpt #: 191 total cpu time spent up to now is 49.3 secs Computing kpt #: 192 total cpu time spent up to now is 49.5 secs Computing kpt #: 193 total cpu time spent up to now is 49.8 secs Computing kpt #: 194 total cpu time spent up to now is 50.1 secs Computing kpt #: 195 total cpu time spent up to now is 50.4 secs Computing kpt #: 196 total cpu time spent up to now is 50.7 secs Computing kpt #: 197 total cpu time spent up to now is 51.0 secs Computing kpt #: 198 total cpu time spent up to now is 51.3 secs Computing kpt #: 199 total cpu time spent up to now is 51.7 secs Computing kpt #: 200 total cpu time spent up to now is 52.0 secs Computing kpt #: 201 total cpu time spent up to now is 52.3 secs Computing kpt #: 202 total cpu time spent up to now is 52.6 secs Computing kpt #: 203 total cpu time spent up to now is 52.8 secs Computing kpt #: 204 total cpu time spent up to now is 53.1 secs Computing kpt #: 205 total cpu time spent up to now is 53.3 secs Computing kpt #: 206 total cpu time spent up to now is 53.6 secs Computing kpt #: 207 total cpu time spent up to now is 53.9 secs Computing kpt #: 208 total cpu time spent up to now is 54.1 secs Computing kpt #: 209 total cpu time spent up to now is 54.3 secs Computing kpt #: 210 total cpu time spent up to now is 54.6 secs Computing kpt #: 211 total cpu time spent up to now is 54.8 secs Computing kpt #: 212 total cpu time spent up to now is 55.1 secs Computing kpt #: 213 total cpu time spent up to now is 55.3 secs Computing kpt #: 214 total cpu time spent up to now is 55.6 secs Computing kpt #: 215 total cpu time spent up to now is 55.8 secs Computing kpt #: 216 total cpu time spent up to now is 56.1 secs Computing kpt #: 217 total cpu time spent up to now is 56.3 secs Computing kpt #: 218 total cpu time spent up to now is 56.6 secs Computing kpt #: 219 total cpu time spent up to now is 56.8 secs Computing kpt #: 220 total cpu time spent up to now is 57.1 secs Computing kpt #: 221 total cpu time spent up to now is 57.3 secs Computing kpt #: 222 total cpu time spent up to now is 57.6 secs Computing kpt #: 223 total cpu time spent up to now is 57.8 secs Computing kpt #: 224 total cpu time spent up to now is 58.1 secs Computing kpt #: 225 total cpu time spent up to now is 58.3 secs Computing kpt #: 226 total cpu time spent up to now is 58.5 secs Computing kpt #: 227 total cpu time spent up to now is 58.8 secs Computing kpt #: 228 total cpu time spent up to now is 59.0 secs Computing kpt #: 229 total cpu time spent up to now is 59.2 secs Computing kpt #: 230 total cpu time spent up to now is 59.4 secs Computing kpt #: 231 total cpu time spent up to now is 59.6 secs Computing kpt #: 232 total cpu time spent up to now is 59.8 secs Computing kpt #: 233 total cpu time spent up to now is 60.1 secs Computing kpt #: 234 total cpu time spent up to now is 60.3 secs Computing kpt #: 235 total cpu time spent up to now is 60.6 secs Computing kpt #: 236 total cpu time spent up to now is 60.8 secs Computing kpt #: 237 total cpu time spent up to now is 61.1 secs Computing kpt #: 238 total cpu time spent up to now is 61.3 secs Computing kpt #: 239 total cpu time spent up to now is 61.6 secs Computing kpt #: 240 total cpu time spent up to now is 61.8 secs Computing kpt #: 241 total cpu time spent up to now is 62.0 secs Computing kpt #: 242 total cpu time spent up to now is 62.3 secs Computing kpt #: 243 total cpu time spent up to now is 62.5 secs Computing kpt #: 244 total cpu time spent up to now is 62.8 secs Computing kpt #: 245 total cpu time spent up to now is 63.1 secs Computing kpt #: 246 total cpu time spent up to now is 63.5 secs Computing kpt #: 247 total cpu time spent up to now is 63.8 secs Computing kpt #: 248 total cpu time spent up to now is 64.4 secs Computing kpt #: 249 total cpu time spent up to now is 64.8 secs Computing kpt #: 250 total cpu time spent up to now is 65.3 secs Computing kpt #: 251 total cpu time spent up to now is 65.6 secs Computing kpt #: 252 total cpu time spent up to now is 65.9 secs Computing kpt #: 253 total cpu time spent up to now is 66.1 secs Computing kpt #: 254 total cpu time spent up to now is 66.4 secs Computing kpt #: 255 total cpu time spent up to now is 66.6 secs Computing kpt #: 256 total cpu time spent up to now is 66.9 secs Computing kpt #: 257 total cpu time spent up to now is 67.1 secs Computing kpt #: 258 total cpu time spent up to now is 67.3 secs Computing kpt #: 259 total cpu time spent up to now is 67.6 secs Computing kpt #: 260 total cpu time spent up to now is 67.8 secs Computing kpt #: 261 total cpu time spent up to now is 68.0 secs Computing kpt #: 262 total cpu time spent up to now is 68.2 secs Computing kpt #: 263 total cpu time spent up to now is 68.4 secs Computing kpt #: 264 total cpu time spent up to now is 68.6 secs Computing kpt #: 265 total cpu time spent up to now is 68.8 secs Computing kpt #: 266 total cpu time spent up to now is 69.0 secs Computing kpt #: 267 total cpu time spent up to now is 69.2 secs Computing kpt #: 268 total cpu time spent up to now is 69.5 secs Computing kpt #: 269 total cpu time spent up to now is 69.7 secs Computing kpt #: 270 total cpu time spent up to now is 69.9 secs Computing kpt #: 271 total cpu time spent up to now is 70.1 secs Computing kpt #: 272 total cpu time spent up to now is 70.3 secs Computing kpt #: 273 total cpu time spent up to now is 70.5 secs Computing kpt #: 274 total cpu time spent up to now is 70.7 secs Computing kpt #: 275 total cpu time spent up to now is 70.9 secs Computing kpt #: 276 total cpu time spent up to now is 71.1 secs Computing kpt #: 277 total cpu time spent up to now is 71.3 secs Computing kpt #: 278 total cpu time spent up to now is 71.5 secs Computing kpt #: 279 total cpu time spent up to now is 71.6 secs Computing kpt #: 280 total cpu time spent up to now is 71.8 secs Computing kpt #: 281 total cpu time spent up to now is 72.0 secs Computing kpt #: 282 total cpu time spent up to now is 72.2 secs Computing kpt #: 283 total cpu time spent up to now is 72.4 secs Computing kpt #: 284 total cpu time spent up to now is 72.6 secs Computing kpt #: 285 total cpu time spent up to now is 72.8 secs Computing kpt #: 286 total cpu time spent up to now is 73.0 secs Computing kpt #: 287 total cpu time spent up to now is 73.1 secs Computing kpt #: 288 total cpu time spent up to now is 73.3 secs Computing kpt #: 289 total cpu time spent up to now is 73.5 secs Computing kpt #: 290 total cpu time spent up to now is 73.7 secs Computing kpt #: 291 total cpu time spent up to now is 73.9 secs Computing kpt #: 292 total cpu time spent up to now is 74.1 secs Computing kpt #: 293 total cpu time spent up to now is 74.2 secs Computing kpt #: 294 total cpu time spent up to now is 74.4 secs Computing kpt #: 295 total cpu time spent up to now is 74.6 secs Computing kpt #: 296 total cpu time spent up to now is 74.8 secs Computing kpt #: 297 total cpu time spent up to now is 75.0 secs Computing kpt #: 298 total cpu time spent up to now is 75.2 secs Computing kpt #: 299 total cpu time spent up to now is 75.4 secs Computing kpt #: 300 total cpu time spent up to now is 75.6 secs Computing kpt #: 301 total cpu time spent up to now is 75.8 secs Computing kpt #: 302 total cpu time spent up to now is 76.0 secs Computing kpt #: 303 total cpu time spent up to now is 76.2 secs Computing kpt #: 304 total cpu time spent up to now is 76.4 secs Computing kpt #: 305 total cpu time spent up to now is 76.6 secs Computing kpt #: 306 total cpu time spent up to now is 76.9 secs Computing kpt #: 307 total cpu time spent up to now is 77.1 secs Computing kpt #: 308 total cpu time spent up to now is 77.3 secs Computing kpt #: 309 total cpu time spent up to now is 77.5 secs Computing kpt #: 310 total cpu time spent up to now is 77.7 secs Computing kpt #: 311 total cpu time spent up to now is 77.9 secs Computing kpt #: 312 total cpu time spent up to now is 78.1 secs Computing kpt #: 313 total cpu time spent up to now is 78.3 secs Computing kpt #: 314 total cpu time spent up to now is 78.5 secs Computing kpt #: 315 total cpu time spent up to now is 78.7 secs Computing kpt #: 316 total cpu time spent up to now is 78.9 secs Computing kpt #: 317 total cpu time spent up to now is 79.1 secs Computing kpt #: 318 total cpu time spent up to now is 79.3 secs Computing kpt #: 319 total cpu time spent up to now is 79.5 secs Computing kpt #: 320 total cpu time spent up to now is 79.7 secs Computing kpt #: 321 total cpu time spent up to now is 80.0 secs Computing kpt #: 322 total cpu time spent up to now is 80.2 secs Computing kpt #: 323 total cpu time spent up to now is 80.5 secs Computing kpt #: 324 total cpu time spent up to now is 80.7 secs Computing kpt #: 325 total cpu time spent up to now is 81.0 secs Computing kpt #: 326 total cpu time spent up to now is 81.2 secs Computing kpt #: 327 total cpu time spent up to now is 81.5 secs Computing kpt #: 328 total cpu time spent up to now is 81.8 secs Computing kpt #: 329 total cpu time spent up to now is 82.0 secs Computing kpt #: 330 total cpu time spent up to now is 82.3 secs Computing kpt #: 331 total cpu time spent up to now is 82.6 secs Computing kpt #: 332 total cpu time spent up to now is 82.9 secs Computing kpt #: 333 total cpu time spent up to now is 83.1 secs Computing kpt #: 334 total cpu time spent up to now is 83.4 secs Computing kpt #: 335 total cpu time spent up to now is 83.7 secs Computing kpt #: 336 total cpu time spent up to now is 84.0 secs Computing kpt #: 337 total cpu time spent up to now is 84.3 secs Computing kpt #: 338 total cpu time spent up to now is 84.6 secs Computing kpt #: 339 total cpu time spent up to now is 84.9 secs Computing kpt #: 340 total cpu time spent up to now is 85.2 secs Computing kpt #: 341 total cpu time spent up to now is 85.5 secs Computing kpt #: 342 total cpu time spent up to now is 85.8 secs Computing kpt #: 343 total cpu time spent up to now is 86.1 secs Computing kpt #: 344 total cpu time spent up to now is 86.3 secs Computing kpt #: 345 total cpu time spent up to now is 86.6 secs Computing kpt #: 346 total cpu time spent up to now is 86.9 secs Computing kpt #: 347 total cpu time spent up to now is 87.1 secs Computing kpt #: 348 total cpu time spent up to now is 87.4 secs Computing kpt #: 349 total cpu time spent up to now is 87.7 secs Computing kpt #: 350 total cpu time spent up to now is 88.1 secs Computing kpt #: 351 total cpu time spent up to now is 88.4 secs Computing kpt #: 352 total cpu time spent up to now is 88.8 secs Computing kpt #: 353 total cpu time spent up to now is 89.0 secs Computing kpt #: 354 total cpu time spent up to now is 89.3 secs Computing kpt #: 355 total cpu time spent up to now is 89.5 secs Computing kpt #: 356 total cpu time spent up to now is 89.7 secs Computing kpt #: 357 total cpu time spent up to now is 89.9 secs Computing kpt #: 358 total cpu time spent up to now is 90.1 secs Computing kpt #: 359 total cpu time spent up to now is 90.3 secs Computing kpt #: 360 total cpu time spent up to now is 90.5 secs Computing kpt #: 361 total cpu time spent up to now is 90.7 secs Computing kpt #: 362 total cpu time spent up to now is 90.9 secs Computing kpt #: 363 total cpu time spent up to now is 91.1 secs Computing kpt #: 364 total cpu time spent up to now is 91.3 secs Computing kpt #: 365 total cpu time spent up to now is 91.5 secs Computing kpt #: 366 total cpu time spent up to now is 91.7 secs Computing kpt #: 367 total cpu time spent up to now is 91.9 secs Computing kpt #: 368 total cpu time spent up to now is 92.1 secs Computing kpt #: 369 total cpu time spent up to now is 92.4 secs Computing kpt #: 370 total cpu time spent up to now is 92.6 secs Computing kpt #: 371 total cpu time spent up to now is 92.9 secs Computing kpt #: 372 total cpu time spent up to now is 93.1 secs Computing kpt #: 373 total cpu time spent up to now is 93.4 secs Computing kpt #: 374 total cpu time spent up to now is 93.7 secs Computing kpt #: 375 total cpu time spent up to now is 94.0 secs Computing kpt #: 376 total cpu time spent up to now is 94.3 secs Computing kpt #: 377 total cpu time spent up to now is 94.6 secs Computing kpt #: 378 total cpu time spent up to now is 94.9 secs Computing kpt #: 379 total cpu time spent up to now is 95.3 secs Computing kpt #: 380 total cpu time spent up to now is 95.6 secs Computing kpt #: 381 total cpu time spent up to now is 95.9 secs Computing kpt #: 382 total cpu time spent up to now is 96.2 secs Computing kpt #: 383 total cpu time spent up to now is 96.5 secs Computing kpt #: 384 total cpu time spent up to now is 96.8 secs Computing kpt #: 385 total cpu time spent up to now is 97.0 secs Computing kpt #: 386 total cpu time spent up to now is 97.3 secs Computing kpt #: 387 total cpu time spent up to now is 97.6 secs Computing kpt #: 388 total cpu time spent up to now is 97.8 secs Computing kpt #: 389 total cpu time spent up to now is 98.0 secs Computing kpt #: 390 total cpu time spent up to now is 98.3 secs Computing kpt #: 391 total cpu time spent up to now is 98.6 secs Computing kpt #: 392 total cpu time spent up to now is 98.8 secs Computing kpt #: 393 total cpu time spent up to now is 99.1 secs Computing kpt #: 394 total cpu time spent up to now is 99.4 secs Computing kpt #: 395 total cpu time spent up to now is 99.7 secs Computing kpt #: 396 total cpu time spent up to now is 100.0 secs Computing kpt #: 397 total cpu time spent up to now is 100.2 secs Computing kpt #: 398 total cpu time spent up to now is 100.4 secs Computing kpt #: 399 total cpu time spent up to now is 100.6 secs Computing kpt #: 400 total cpu time spent up to now is 100.8 secs Computing kpt #: 401 total cpu time spent up to now is 101.0 secs Computing kpt #: 402 total cpu time spent up to now is 101.2 secs Computing kpt #: 403 total cpu time spent up to now is 101.4 secs Computing kpt #: 404 total cpu time spent up to now is 101.6 secs Computing kpt #: 405 total cpu time spent up to now is 101.8 secs Computing kpt #: 406 total cpu time spent up to now is 102.0 secs Computing kpt #: 407 total cpu time spent up to now is 102.2 secs Computing kpt #: 408 total cpu time spent up to now is 102.4 secs Computing kpt #: 409 total cpu time spent up to now is 102.6 secs Computing kpt #: 410 total cpu time spent up to now is 102.8 secs Computing kpt #: 411 total cpu time spent up to now is 102.9 secs Computing kpt #: 412 total cpu time spent up to now is 103.1 secs Computing kpt #: 413 total cpu time spent up to now is 103.3 secs Computing kpt #: 414 total cpu time spent up to now is 103.5 secs Computing kpt #: 415 total cpu time spent up to now is 103.7 secs Computing kpt #: 416 total cpu time spent up to now is 103.9 secs Computing kpt #: 417 total cpu time spent up to now is 104.0 secs Computing kpt #: 418 total cpu time spent up to now is 104.2 secs Computing kpt #: 419 total cpu time spent up to now is 104.4 secs Computing kpt #: 420 total cpu time spent up to now is 104.6 secs Computing kpt #: 421 total cpu time spent up to now is 104.8 secs Computing kpt #: 422 total cpu time spent up to now is 105.0 secs ethr = 7.14E-11, avg # of iterations = 24.9 total cpu time spent up to now is 105.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3583 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7472 -6.7472 2.8207 2.8207 5.4560 5.4560 6.8254 6.8254 8.4215 8.4215 10.8365 10.8365 11.4591 11.4591 k = 0.0000 0.0109-0.0000 ( 3583 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6357 -19.6357 -6.7460 -6.7460 2.8217 2.8217 5.4565 5.4565 6.8188 6.8188 8.4083 8.4083 10.8510 10.8510 11.4699 11.4699 k = 0.0000 0.0217-0.0000 ( 3581 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6405 -19.6405 -19.6357 -19.6357 -6.7424 -6.7424 2.8247 2.8247 5.4578 5.4578 6.7989 6.7989 8.3710 8.3710 10.8906 10.8906 11.5039 11.5039 k = 0.0000 0.0326-0.0000 ( 3587 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6405 -19.6405 -19.6359 -19.6359 -6.7363 -6.7363 2.8295 2.8295 5.4597 5.4597 6.7649 6.7649 8.3157 8.3157 10.9458 10.9458 11.5653 11.5653 k = 0.0000 0.0435-0.0000 ( 3587 PWs) bands (ev): -47.7797 -47.7797 -19.8169 -19.8169 -19.6406 -19.6406 -19.6360 -19.6360 -6.7278 -6.7278 2.8363 2.8363 5.4617 5.4617 6.7161 6.7161 8.2505 8.2505 11.0049 11.0049 11.6587 11.6587 k = 0.0000 0.0543-0.0000 ( 3593 PWs) bands (ev): -47.7796 -47.7796 -19.8171 -19.8171 -19.6407 -19.6407 -19.6362 -19.6362 -6.7170 -6.7170 2.8449 2.8449 5.4631 5.4631 6.6521 6.6521 8.1833 8.1833 11.0593 11.0593 11.7858 11.7858 k = 0.0000 0.0652-0.0000 ( 3601 PWs) bands (ev): -47.7796 -47.7796 -19.8172 -19.8172 -19.6408 -19.6408 -19.6365 -19.6365 -6.7037 -6.7037 2.8552 2.8552 5.4626 5.4626 6.5736 6.5736 8.1205 8.1205 11.1059 11.1059 11.9430 11.9430 k = 0.0000 0.0761-0.0000 ( 3599 PWs) bands (ev): -47.7796 -47.7796 -19.8174 -19.8174 -19.6409 -19.6409 -19.6367 -19.6367 -6.6881 -6.6881 2.8671 2.8671 5.4583 5.4583 6.4830 6.4830 8.0664 8.0664 11.1456 11.1456 12.1239 12.1239 k = 0.0000 0.0870-0.0000 ( 3599 PWs) bands (ev): -47.7796 -47.7796 -19.8176 -19.8176 -19.6410 -19.6410 -19.6369 -19.6369 -6.6701 -6.6701 2.8805 2.8805 5.4473 5.4473 6.3846 6.3846 8.0233 8.0233 11.1808 11.1808 12.3213 12.3213 k = 0.0000 0.0978-0.0000 ( 3603 PWs) bands (ev): -47.7795 -47.7795 -19.8178 -19.8178 -19.6413 -19.6413 -19.6371 -19.6371 -6.6498 -6.6498 2.8951 2.8951 5.4249 5.4249 6.2855 6.2855 7.9917 7.9917 11.2133 11.2133 12.5282 12.5282 k = 0.0000 0.1087-0.0000 ( 3605 PWs) bands (ev): -47.7795 -47.7795 -19.8180 -19.8180 -19.6416 -19.6416 -19.6373 -19.6373 -6.6272 -6.6272 2.9107 2.9107 5.3851 5.3851 6.1946 6.1946 7.9711 7.9711 11.2446 11.2446 12.7378 12.7378 k = 0.0000 0.1196-0.0000 ( 3599 PWs) bands (ev): -47.7795 -47.7795 -19.8183 -19.8183 -19.6419 -19.6419 -19.6374 -19.6374 -6.6024 -6.6024 2.9269 2.9269 5.3217 5.3217 6.1209 6.1209 7.9604 7.9604 11.2756 11.2756 12.9419 12.9419 k = 0.0000 0.1304-0.0000 ( 3607 PWs) bands (ev): -47.7794 -47.7794 -19.8186 -19.8186 -19.6424 -19.6424 -19.6375 -19.6375 -6.5753 -6.5753 2.9433 2.9433 5.2317 5.2317 6.0706 6.0706 7.9583 7.9583 11.3071 11.3071 13.1293 13.1293 k = 0.0000 0.1413-0.0000 ( 3609 PWs) bands (ev): -47.7794 -47.7794 -19.8189 -19.8189 -19.6430 -19.6430 -19.6376 -19.6376 -6.5461 -6.5461 2.9593 2.9593 5.1173 5.1173 6.0441 6.0441 7.9636 7.9636 11.3392 11.3392 13.2809 13.2809 k = 0.0000 0.1522-0.0000 ( 3607 PWs) bands (ev): -47.7793 -47.7793 -19.8192 -19.8192 -19.6435 -19.6435 -19.6376 -19.6376 -6.5148 -6.5148 2.9740 2.9740 4.9847 4.9847 6.0378 6.0378 7.9753 7.9753 11.3722 11.3722 13.3624 13.3624 k = 0.0000 0.1630-0.0000 ( 3607 PWs) bands (ev): -47.7793 -47.7793 -19.8195 -19.8195 -19.6442 -19.6442 -19.6375 -19.6375 -6.4814 -6.4814 2.9863 2.9863 4.8412 4.8412 6.0469 6.0469 7.9924 7.9924 11.4062 11.4062 13.3300 13.3300 k = 0.0000 0.1739-0.0000 ( 3615 PWs) bands (ev): -47.7792 -47.7792 -19.8199 -19.8199 -19.6449 -19.6449 -19.6375 -19.6375 -6.4461 -6.4461 2.9948 2.9948 4.6934 4.6934 6.0674 6.0674 8.0142 8.0142 11.4409 11.4409 13.2031 13.2031 k = 0.0000 0.1848-0.0000 ( 3615 PWs) bands (ev): -47.7792 -47.7792 -19.8203 -19.8203 -19.6456 -19.6456 -19.6375 -19.6375 -6.4088 -6.4088 2.9973 2.9973 4.5471 4.5471 6.0967 6.0967 8.0400 8.0400 11.4763 11.4763 13.0387 13.0387 k = 0.0000 0.1957-0.0000 ( 3611 PWs) bands (ev): -47.7791 -47.7791 -19.8207 -19.8207 -19.6464 -19.6464 -19.6374 -19.6374 -6.3697 -6.3697 2.9911 2.9911 4.4076 4.4076 6.1329 6.1329 8.0694 8.0694 11.5118 11.5118 12.8626 12.8626 k = 0.0000 0.2065-0.0000 ( 3611 PWs) bands (ev): -47.7790 -47.7790 -19.8211 -19.8211 -19.6472 -19.6472 -19.6373 -19.6373 -6.3289 -6.3289 2.9727 2.9727 4.2802 4.2802 6.1747 6.1747 8.1019 8.1019 11.5469 11.5469 12.6835 12.6835 k = 0.0000 0.2174-0.0000 ( 3615 PWs) bands (ev): -47.7790 -47.7790 -19.8215 -19.8215 -19.6480 -19.6480 -19.6372 -19.6372 -6.2864 -6.2864 2.9383 2.9383 4.1702 4.1702 6.2212 6.2212 8.1370 8.1370 11.5807 11.5807 12.5047 12.5047 k = 0.0000 0.2283-0.0000 ( 3615 PWs) bands (ev): -47.7789 -47.7789 -19.8219 -19.8219 -19.6488 -19.6488 -19.6371 -19.6371 -6.2424 -6.2424 2.8845 2.8845 4.0818 4.0818 6.2720 6.2720 8.1745 8.1745 11.6117 11.6117 12.3278 12.3278 k = 0.0000 0.2391-0.0000 ( 3617 PWs) bands (ev): -47.7789 -47.7789 -19.8224 -19.8224 -19.6496 -19.6496 -19.6369 -19.6369 -6.1970 -6.1970 2.8098 2.8098 4.0174 4.0174 6.3266 6.3266 8.2140 8.2140 11.6378 11.6378 12.1537 12.1537 k = 0.0000 0.2500-0.0000 ( 3613 PWs) bands (ev): -47.7788 -47.7788 -19.8228 -19.8228 -19.6504 -19.6504 -19.6368 -19.6368 -6.1504 -6.1504 2.7150 2.7150 3.9766 3.9766 6.3846 6.3846 8.2552 8.2552 11.6558 11.6558 11.9832 11.9832 k = 0.0000 0.2609-0.0000 ( 3613 PWs) bands (ev): -47.7787 -47.7787 -19.8233 -19.8233 -19.6513 -19.6513 -19.6366 -19.6366 -6.1026 -6.1026 2.6036 2.6036 3.9566 3.9566 6.4458 6.4458 8.2978 8.2978 11.6597 11.6597 11.8184 11.8184 k = 0.0000 0.2717-0.0000 ( 3603 PWs) bands (ev): -47.7787 -47.7787 -19.8237 -19.8237 -19.6520 -19.6520 -19.6365 -19.6365 -6.0538 -6.0538 2.4797 2.4797 3.9534 3.9534 6.5100 6.5100 8.3416 8.3416 11.6216 11.6216 11.6824 11.6824 k = 0.0000 0.2826-0.0000 ( 3603 PWs) bands (ev): -47.7786 -47.7786 -19.8242 -19.8242 -19.6528 -19.6528 -19.6363 -19.6363 -6.0043 -6.0043 2.3476 2.3476 3.9631 3.9631 6.5770 6.5770 8.3862 8.3862 11.4820 11.4820 11.6298 11.6298 k = 0.0000 0.2935-0.0000 ( 3603 PWs) bands (ev): -47.7785 -47.7785 -19.8247 -19.8247 -19.6536 -19.6536 -19.6362 -19.6362 -5.9542 -5.9542 2.2107 2.2107 3.9826 3.9826 6.6467 6.6467 8.4314 8.4314 11.3291 11.3291 11.5698 11.5698 k = 0.0000 0.3043-0.0000 ( 3611 PWs) bands (ev): -47.7785 -47.7785 -19.8252 -19.8252 -19.6544 -19.6544 -19.6361 -19.6361 -5.9038 -5.9038 2.0720 2.0720 4.0092 4.0092 6.7189 6.7189 8.4768 8.4768 11.1792 11.1792 11.4877 11.4877 k = 0.0000 0.3152-0.0000 ( 3607 PWs) bands (ev): -47.7784 -47.7784 -19.8256 -19.8256 -19.6551 -19.6551 -19.6359 -19.6359 -5.8532 -5.8532 1.9334 1.9334 4.0410 4.0410 6.7933 6.7933 8.5222 8.5222 11.0337 11.0337 11.3871 11.3871 k = 0.0000 0.3261-0.0000 ( 3607 PWs) bands (ev): -47.7784 -47.7784 -19.8261 -19.8261 -19.6558 -19.6558 -19.6358 -19.6358 -5.8028 -5.8028 1.7966 1.7966 4.0765 4.0765 6.8699 6.8699 8.5673 8.5673 10.8932 10.8932 11.2732 11.2732 k = 0.0000 0.3370-0.0000 ( 3603 PWs) bands (ev): -47.7783 -47.7783 -19.8265 -19.8265 -19.6565 -19.6565 -19.6356 -19.6356 -5.7528 -5.7528 1.6629 1.6629 4.1145 4.1145 6.9485 6.9485 8.6116 8.6116 10.7581 10.7581 11.1511 11.1511 k = 0.0000 0.3478-0.0000 ( 3597 PWs) bands (ev): -47.7782 -47.7782 -19.8269 -19.8269 -19.6571 -19.6571 -19.6355 -19.6355 -5.7035 -5.7035 1.5335 1.5335 4.1540 4.1540 7.0288 7.0288 8.6548 8.6548 10.6286 10.6286 11.0244 11.0244 k = 0.0000 0.3587-0.0000 ( 3601 PWs) bands (ev): -47.7782 -47.7782 -19.8273 -19.8273 -19.6578 -19.6578 -19.6354 -19.6354 -5.6552 -5.6552 1.4091 1.4091 4.1944 4.1944 7.1105 7.1105 8.6966 8.6966 10.5052 10.5052 10.8959 10.8959 k = 0.0000 0.3696-0.0000 ( 3609 PWs) bands (ev): -47.7782 -47.7782 -19.8278 -19.8278 -19.6584 -19.6584 -19.6353 -19.6353 -5.6084 -5.6084 1.2907 1.2907 4.2348 4.2348 7.1934 7.1934 8.7365 8.7365 10.3881 10.3881 10.7680 10.7680 k = 0.0000 0.3804-0.0000 ( 3605 PWs) bands (ev): -47.7781 -47.7781 -19.8281 -19.8281 -19.6589 -19.6589 -19.6352 -19.6352 -5.5633 -5.5633 1.1789 1.1789 4.2746 4.2746 7.2771 7.2771 8.7741 8.7741 10.2776 10.2776 10.6421 10.6421 k = 0.0000 0.3913-0.0000 ( 3597 PWs) bands (ev): -47.7781 -47.7781 -19.8284 -19.8284 -19.6594 -19.6594 -19.6350 -19.6350 -5.5203 -5.5203 1.0743 1.0743 4.3133 4.3133 7.3611 7.3611 8.8088 8.8088 10.1741 10.1741 10.5200 10.5200 k = 0.0000 0.4022-0.0000 ( 3599 PWs) bands (ev): -47.7780 -47.7780 -19.8288 -19.8288 -19.6598 -19.6598 -19.6350 -19.6350 -5.4798 -5.4798 0.9776 0.9776 4.3502 4.3502 7.4447 7.4447 8.8403 8.8403 10.0778 10.0778 10.4030 10.4030 k = 0.0000 0.4130-0.0000 ( 3595 PWs) bands (ev): -47.7780 -47.7780 -19.8291 -19.8291 -19.6602 -19.6602 -19.6349 -19.6349 -5.4422 -5.4422 0.8893 0.8893 4.3849 4.3849 7.5273 7.5273 8.8678 8.8678 9.9890 9.9890 10.2926 10.2926 k = 0.0000 0.4239-0.0000 ( 3599 PWs) bands (ev): -47.7780 -47.7780 -19.8294 -19.8294 -19.6606 -19.6606 -19.6348 -19.6348 -5.4078 -5.4078 0.8100 0.8100 4.4169 4.4169 7.6078 7.6078 8.8910 8.8910 9.9083 9.9083 10.1904 10.1904 k = 0.0000 0.4348-0.0000 ( 3583 PWs) bands (ev): -47.7779 -47.7779 -19.8295 -19.8295 -19.6608 -19.6608 -19.6347 -19.6347 -5.3772 -5.3772 0.7401 0.7401 4.4457 4.4457 7.6849 7.6849 8.9093 8.9093 9.8360 9.8360 10.0979 10.0979 k = 0.0000 0.4457-0.0000 ( 3587 PWs) bands (ev): -47.7779 -47.7779 -19.8297 -19.8297 -19.6611 -19.6611 -19.6346 -19.6346 -5.3505 -5.3505 0.6802 0.6802 4.4709 4.4709 7.7570 7.7570 8.9223 8.9223 9.7729 9.7729 10.0168 10.0168 k = 0.0000 0.4565-0.0000 ( 3591 PWs) bands (ev): -47.7779 -47.7779 -19.8299 -19.8299 -19.6614 -19.6614 -19.6346 -19.6346 -5.3282 -5.3282 0.6305 0.6305 4.4921 4.4921 7.8219 7.8219 8.9302 8.9302 9.7196 9.7196 9.9486 9.9486 k = 0.0000 0.4674-0.0000 ( 3591 PWs) bands (ev): -47.7779 -47.7779 -19.8301 -19.8301 -19.6615 -19.6615 -19.6346 -19.6346 -5.3105 -5.3105 0.5915 0.5915 4.5089 4.5089 7.8770 7.8770 8.9335 8.9335 9.6771 9.6771 9.8945 9.8945 k = 0.0000 0.4783-0.0000 ( 3591 PWs) bands (ev): -47.7778 -47.7778 -19.8301 -19.8301 -19.6616 -19.6616 -19.6346 -19.6346 -5.2977 -5.2977 0.5635 0.5635 4.5212 4.5212 7.9196 7.9196 8.9338 8.9338 9.6462 9.6462 9.8554 9.8554 k = 0.0000 0.4891-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2900 -5.2900 0.5466 0.5466 4.5286 4.5286 7.9466 7.9466 8.9327 8.9327 9.6275 9.6275 9.8317 9.8317 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6345 -19.6345 -5.2874 -5.2874 0.5409 0.5409 4.5311 4.5311 7.9558 7.9558 8.9321 8.9321 9.6213 9.6213 9.8238 9.8238 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6345 -19.6345 -5.2874 -5.2874 0.5409 0.5409 4.5311 4.5311 7.9558 7.9558 8.9321 8.9321 9.6213 9.6213 9.8238 9.8238 k = 0.0109 0.5000-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2862 -5.2862 0.5422 0.5422 4.5322 4.5322 7.9550 7.9550 8.9222 8.9222 9.6224 9.6224 9.8213 9.8213 k = 0.0217 0.5000-0.0000 ( 3586 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2827 -5.2827 0.5460 0.5460 4.5356 4.5356 7.9521 7.9521 8.8925 8.8925 9.6259 9.6259 9.8147 9.8147 k = 0.0326 0.5000-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6347 -19.6347 -5.2769 -5.2769 0.5525 0.5525 4.5412 4.5412 7.9464 7.9464 8.8442 8.8442 9.6318 9.6318 9.8059 9.8059 k = 0.0435 0.5000-0.0000 ( 3588 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6349 -19.6349 -5.2688 -5.2688 0.5614 0.5614 4.5490 4.5490 7.9360 7.9360 8.7795 8.7795 9.6399 9.6399 9.7974 9.7974 k = 0.0543 0.5000-0.0000 ( 3588 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6618 -19.6618 -19.6351 -19.6351 -5.2583 -5.2583 0.5730 0.5730 4.5589 4.5589 7.9181 7.9181 8.7028 8.7028 9.6504 9.6504 9.7915 9.7915 k = 0.0652 0.5000-0.0000 ( 3584 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6619 -19.6619 -19.6354 -19.6354 -5.2456 -5.2456 0.5870 0.5870 4.5708 4.5708 7.8882 7.8882 8.6210 8.6210 9.6632 9.6632 9.7894 9.7894 k = 0.0761 0.5000-0.0000 ( 3580 PWs) bands (ev): -47.7777 -47.7777 -19.8306 -19.8306 -19.6619 -19.6619 -19.6356 -19.6356 -5.2305 -5.2305 0.6035 0.6035 4.5846 4.5846 7.8400 7.8400 8.5432 8.5432 9.6783 9.6783 9.7919 9.7919 k = 0.0870 0.5000-0.0000 ( 3580 PWs) bands (ev): -47.7777 -47.7777 -19.8307 -19.8307 -19.6620 -19.6620 -19.6359 -19.6359 -5.2133 -5.2133 0.6224 0.6224 4.6002 4.6002 7.7674 7.7674 8.4786 8.4786 9.6958 9.6958 9.7990 9.7990 k = 0.0978 0.5000-0.0000 ( 3580 PWs) bands (ev): -47.7777 -47.7777 -19.8308 -19.8308 -19.6620 -19.6620 -19.6363 -19.6363 -5.1938 -5.1938 0.6438 0.6438 4.6173 4.6173 7.6674 7.6674 8.4333 8.4333 9.7156 9.7156 9.8105 9.8105 k = 0.1087 0.5000-0.0000 ( 3580 PWs) bands (ev): -47.7776 -47.7776 -19.8310 -19.8310 -19.6621 -19.6621 -19.6367 -19.6367 -5.1721 -5.1721 0.6675 0.6675 4.6357 4.6357 7.5422 7.5422 8.4076 8.4076 9.7376 9.7376 9.8261 9.8261 k = 0.1196 0.5000-0.0000 ( 3580 PWs) bands (ev): -47.7776 -47.7776 -19.8311 -19.8311 -19.6622 -19.6622 -19.6371 -19.6371 -5.1482 -5.1482 0.6935 0.6935 4.6551 4.6551 7.3976 7.3976 8.3986 8.3986 9.7620 9.7620 9.8453 9.8453 k = 0.1304 0.5000-0.0000 ( 3588 PWs) bands (ev): -47.7775 -47.7775 -19.8313 -19.8313 -19.6624 -19.6624 -19.6376 -19.6376 -5.1223 -5.1223 0.7218 0.7218 4.6749 4.6749 7.2396 7.2396 8.4022 8.4022 9.7887 9.7887 9.8678 9.8678 k = 0.1413 0.5000-0.0000 ( 3584 PWs) bands (ev): -47.7775 -47.7775 -19.8315 -19.8315 -19.6625 -19.6625 -19.6380 -19.6380 -5.0942 -5.0942 0.7522 0.7522 4.6948 4.6948 7.0737 7.0737 8.4153 8.4153 9.8177 9.8177 9.8931 9.8931 k = 0.1522 0.5000-0.0000 ( 3594 PWs) bands (ev): -47.7775 -47.7775 -19.8318 -19.8318 -19.6627 -19.6627 -19.6385 -19.6385 -5.0642 -5.0642 0.7847 0.7847 4.7137 4.7137 6.9040 6.9040 8.4357 8.4357 9.8490 9.8490 9.9207 9.9207 k = 0.1630 0.5000-0.0000 ( 3594 PWs) bands (ev): -47.7774 -47.7774 -19.8320 -19.8320 -19.6629 -19.6629 -19.6390 -19.6390 -5.0321 -5.0321 0.8192 0.8192 4.7309 4.7309 6.7341 6.7341 8.4619 8.4619 9.8826 9.8826 9.9500 9.9500 k = 0.1739 0.5000-0.0000 ( 3602 PWs) bands (ev): -47.7774 -47.7774 -19.8323 -19.8323 -19.6632 -19.6632 -19.6395 -19.6395 -4.9982 -4.9982 0.8556 0.8556 4.7447 4.7447 6.5673 6.5673 8.4930 8.4930 9.9183 9.9183 9.9800 9.9800 k = 0.1848 0.5000-0.0000 ( 3598 PWs) bands (ev): -47.7773 -47.7773 -19.8325 -19.8325 -19.6634 -19.6634 -19.6399 -19.6399 -4.9624 -4.9624 0.8938 0.8938 4.7533 4.7533 6.4069 6.4069 8.5283 8.5283 9.9561 9.9561 10.0093 10.0093 k = 0.1957 0.5000-0.0000 ( 3598 PWs) bands (ev): -47.7772 -47.7772 -19.8328 -19.8328 -19.6637 -19.6637 -19.6403 -19.6403 -4.9249 -4.9249 0.9336 0.9336 4.7541 4.7541 6.2566 6.2566 8.5674 8.5674 9.9953 9.9953 10.0351 10.0351 k = 0.2065 0.5000-0.0000 ( 3586 PWs) bands (ev): -47.7772 -47.7772 -19.8330 -19.8330 -19.6639 -19.6639 -19.6407 -19.6407 -4.8857 -4.8857 0.9749 0.9749 4.7437 4.7437 6.1206 6.1206 8.6100 8.6100 10.0302 10.0302 10.0555 10.0555 k = 0.2174 0.5000-0.0000 ( 3586 PWs) bands (ev): -47.7771 -47.7771 -19.8333 -19.8333 -19.6642 -19.6642 -19.6411 -19.6411 -4.8450 -4.8450 1.0175 1.0175 4.7184 4.7184 6.0033 6.0033 8.6558 8.6558 10.0237 10.0237 10.0902 10.0902 k = 0.2283 0.5000-0.0000 ( 3586 PWs) bands (ev): -47.7770 -47.7770 -19.8336 -19.8336 -19.6646 -19.6646 -19.6415 -19.6415 -4.8028 -4.8028 1.0612 1.0612 4.6747 4.6747 5.9089 5.9089 8.7046 8.7046 9.9545 9.9545 10.1358 10.1358 k = 0.2391 0.5000-0.0000 ( 3586 PWs) bands (ev): -47.7770 -47.7770 -19.8339 -19.8339 -19.6649 -19.6649 -19.6418 -19.6418 -4.7593 -4.7593 1.1059 1.1059 4.6106 4.6106 5.8398 5.8398 8.7562 8.7562 9.8316 9.8316 10.1849 10.1849 k = 0.2500 0.5000-0.0000 ( 3582 PWs) bands (ev): -47.7769 -47.7769 -19.8342 -19.8342 -19.6653 -19.6653 -19.6421 -19.6421 -4.7145 -4.7145 1.1512 1.1512 4.5265 4.5265 5.7961 5.7961 8.8103 8.8103 9.6817 9.6817 10.2366 10.2366 k = 0.2609 0.5000-0.0000 ( 3582 PWs) bands (ev): -47.7768 -47.7768 -19.8345 -19.8345 -19.6657 -19.6657 -19.6425 -19.6425 -4.6687 -4.6687 1.1969 1.1969 4.4256 4.4256 5.7751 5.7751 8.8665 8.8665 9.5226 9.5226 10.2906 10.2906 k = 0.2717 0.5000-0.0000 ( 3578 PWs) bands (ev): -47.7768 -47.7768 -19.8348 -19.8348 -19.6661 -19.6661 -19.6427 -19.6427 -4.6221 -4.6221 1.2426 1.2426 4.3123 4.3123 5.7728 5.7728 8.9236 8.9236 9.3630 9.3630 10.3468 10.3468 k = 0.2826 0.5000-0.0000 ( 3582 PWs) bands (ev): -47.7767 -47.7767 -19.8351 -19.8351 -19.6666 -19.6666 -19.6430 -19.6430 -4.5747 -4.5747 1.2881 1.2881 4.1911 4.1911 5.7850 5.7850 8.9759 8.9759 9.2120 9.2120 10.4052 10.4052 k = 0.2935 0.5000-0.0000 ( 3578 PWs) bands (ev): -47.7767 -47.7767 -19.8354 -19.8354 -19.6670 -19.6670 -19.6432 -19.6432 -4.5267 -4.5267 1.3328 1.3328 4.0660 4.0660 5.8081 5.8081 8.9752 8.9752 9.1191 9.1191 10.4658 10.4658 k = 0.3043 0.5000-0.0000 ( 3582 PWs) bands (ev): -47.7766 -47.7766 -19.8357 -19.8357 -19.6675 -19.6675 -19.6434 -19.6434 -4.4785 -4.4785 1.3764 1.3764 3.9402 3.9402 5.8394 5.8394 8.8556 8.8556 9.1515 9.1515 10.5284 10.5284 k = 0.3152 0.5000-0.0000 ( 3578 PWs) bands (ev): -47.7765 -47.7765 -19.8361 -19.8361 -19.6680 -19.6680 -19.6436 -19.6436 -4.4302 -4.4302 1.4183 1.4183 3.8163 3.8163 5.8765 5.8765 8.7111 8.7111 9.2156 9.2156 10.5930 10.5930 k = 0.3261 0.5000-0.0000 ( 3574 PWs) bands (ev): -47.7765 -47.7765 -19.8363 -19.8363 -19.6684 -19.6684 -19.6437 -19.6437 -4.3820 -4.3820 1.4579 1.4579 3.6963 3.6963 5.9180 5.9180 8.5669 8.5669 9.2869 9.2869 10.6596 10.6596 k = 0.3370 0.5000-0.0000 ( 3574 PWs) bands (ev): -47.7764 -47.7764 -19.8367 -19.8367 -19.6689 -19.6689 -19.6438 -19.6438 -4.3343 -4.3343 1.4946 1.4946 3.5821 3.5821 5.9624 5.9624 8.4266 8.4266 9.3621 9.3621 10.7279 10.7279 k = 0.3478 0.5000-0.0000 ( 3570 PWs) bands (ev): -47.7764 -47.7764 -19.8369 -19.8369 -19.6693 -19.6693 -19.6440 -19.6440 -4.2874 -4.2874 1.5278 1.5278 3.4749 3.4749 6.0087 6.0087 8.2913 8.2913 9.4405 9.4405 10.7978 10.7978 k = 0.3587 0.5000-0.0000 ( 3566 PWs) bands (ev): -47.7763 -47.7763 -19.8372 -19.8372 -19.6697 -19.6697 -19.6440 -19.6440 -4.2414 -4.2414 1.5568 1.5568 3.3761 3.3761 6.0561 6.0561 8.1618 8.1618 9.5215 9.5215 10.8690 10.8690 k = 0.3696 0.5000-0.0000 ( 3570 PWs) bands (ev): -47.7763 -47.7763 -19.8375 -19.8375 -19.6702 -19.6702 -19.6441 -19.6441 -4.1968 -4.1968 1.5810 1.5810 3.2867 3.2867 6.1038 6.1038 8.0387 8.0387 9.6050 9.6050 10.9401 10.9401 k = 0.3804 0.5000-0.0000 ( 3566 PWs) bands (ev): -47.7762 -47.7762 -19.8378 -19.8378 -19.6705 -19.6705 -19.6442 -19.6442 -4.1539 -4.1539 1.5998 1.5998 3.2075 3.2075 6.1510 6.1510 7.9224 7.9224 9.6908 9.6908 11.0005 11.0005 k = 0.3913 0.5000-0.0000 ( 3564 PWs) bands (ev): -47.7762 -47.7762 -19.8380 -19.8380 -19.6709 -19.6709 -19.6442 -19.6442 -4.1131 -4.1131 1.6131 1.6131 3.1390 3.1390 6.1973 6.1973 7.8135 7.8135 9.7787 9.7787 11.0488 11.0488 k = 0.4022 0.5000-0.0000 ( 3564 PWs) bands (ev): -47.7761 -47.7761 -19.8382 -19.8382 -19.6712 -19.6712 -19.6443 -19.6443 -4.0746 -4.0746 1.6208 1.6208 3.0813 3.0813 6.2419 6.2419 7.7125 7.7125 9.8684 9.8684 11.0929 11.0929 k = 0.4130 0.5000-0.0000 ( 3560 PWs) bands (ev): -47.7761 -47.7761 -19.8384 -19.8384 -19.6715 -19.6715 -19.6443 -19.6443 -4.0390 -4.0390 1.6234 1.6234 3.0341 3.0341 6.2842 6.2842 7.6197 7.6197 9.9595 9.9595 11.1332 11.1332 k = 0.4239 0.5000-0.0000 ( 3556 PWs) bands (ev): -47.7761 -47.7761 -19.8386 -19.8386 -19.6718 -19.6718 -19.6443 -19.6443 -4.0065 -4.0065 1.6214 1.6214 2.9968 2.9968 6.3237 6.3237 7.5358 7.5358 10.0516 10.0516 11.1690 11.1690 k = 0.4348 0.5000-0.0000 ( 3560 PWs) bands (ev): -47.7761 -47.7761 -19.8388 -19.8388 -19.6721 -19.6721 -19.6444 -19.6444 -3.9774 -3.9774 1.6161 1.6161 2.9682 2.9682 6.3598 6.3598 7.4613 7.4613 10.1439 10.1439 11.1993 11.1993 k = 0.4457 0.5000-0.0000 ( 3560 PWs) bands (ev): -47.7760 -47.7760 -19.8389 -19.8389 -19.6723 -19.6723 -19.6444 -19.6444 -3.9522 -3.9522 1.6086 1.6086 2.9471 2.9471 6.3919 6.3919 7.3967 7.3967 10.2350 10.2350 11.2225 11.2225 k = 0.4565 0.5000-0.0000 ( 3558 PWs) bands (ev): -47.7760 -47.7760 -19.8390 -19.8390 -19.6725 -19.6725 -19.6444 -19.6444 -3.9312 -3.9312 1.6002 1.6002 2.9322 2.9322 6.4194 6.4194 7.3427 7.3427 10.3231 10.3231 11.2362 11.2362 k = 0.4674 0.5000-0.0000 ( 3542 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6725 -19.6725 -19.6443 -19.6443 -3.9145 -3.9145 1.5923 1.5923 2.9221 2.9221 6.4416 6.4416 7.2998 7.2998 10.4048 10.4048 11.2369 11.2369 k = 0.4783 0.5000-0.0000 ( 3538 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6726 -19.6726 -19.6443 -19.6443 -3.9024 -3.9024 1.5858 1.5858 2.9158 2.9158 6.4581 6.4581 7.2686 7.2686 10.4744 10.4744 11.2232 11.2232 k = 0.4891 0.5000-0.0000 ( 3538 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6726 -19.6726 -19.6444 -19.6444 -3.8951 -3.8951 1.5816 1.5816 2.9123 2.9123 6.4682 6.4682 7.2496 7.2496 10.5232 10.5232 11.2034 11.2034 k = 0.5000 0.5000-0.0000 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8926 -3.8926 1.5801 1.5801 2.9112 2.9112 6.4716 6.4716 7.2433 7.2433 10.5411 10.5411 11.1939 11.1939 k = 0.5000 0.5000-0.0000 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8926 -3.8926 1.5801 1.5801 2.9112 2.9112 6.4716 6.4716 7.2433 7.2433 10.5411 10.5411 11.1939 11.1939 k = 0.4923 0.4923-0.0000 ( 3546 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8951 -3.8951 1.5816 1.5816 2.9123 2.9123 6.4682 6.4682 7.2496 7.2496 10.5231 10.5231 11.2038 11.2038 k = 0.4846 0.4846-0.0000 ( 3538 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6726 -19.6726 -19.6443 -19.6443 -3.9024 -3.9024 1.5860 1.5860 2.9156 2.9156 6.4580 6.4580 7.2687 7.2687 10.4731 10.4731 11.2283 11.2283 k = 0.4769 0.4769-0.0000 ( 3542 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6725 -19.6725 -19.6443 -19.6443 -3.9146 -3.9146 1.5934 1.5934 2.9210 2.9210 6.4413 6.4413 7.3001 7.3001 10.3999 10.3999 11.2572 11.2572 k = 0.4692 0.4692-0.0000 ( 3552 PWs) bands (ev): -47.7760 -47.7760 -19.8390 -19.8390 -19.6724 -19.6724 -19.6444 -19.6444 -3.9316 -3.9316 1.6038 1.6038 2.9287 2.9287 6.4185 6.4185 7.3435 7.3435 10.3115 10.3115 11.2832 11.2832 k = 0.4615 0.4615-0.0000 ( 3556 PWs) bands (ev): -47.7760 -47.7760 -19.8389 -19.8389 -19.6723 -19.6723 -19.6444 -19.6444 -3.9532 -3.9532 1.6170 1.6170 2.9387 2.9387 6.3900 6.3900 7.3985 7.3985 10.2132 10.2132 11.3043 11.3043 k = 0.4538 0.4538-0.0000 ( 3558 PWs) bands (ev): -47.7760 -47.7760 -19.8388 -19.8388 -19.6721 -19.6721 -19.6444 -19.6444 -3.9794 -3.9794 1.6332 1.6332 2.9511 2.9511 6.3561 6.3561 7.4647 7.4647 10.1083 10.1083 11.3207 11.3207 k = 0.4462 0.4462-0.0000 ( 3558 PWs) bands (ev): -47.7761 -47.7761 -19.8386 -19.8386 -19.6718 -19.6718 -19.6443 -19.6443 -4.0099 -4.0099 1.6523 1.6523 2.9660 2.9660 6.3173 6.3173 7.5416 7.5416 9.9991 9.9991 11.3329 11.3329 k = 0.4385 0.4385-0.0000 ( 3554 PWs) bands (ev): -47.7761 -47.7761 -19.8384 -19.8384 -19.6715 -19.6715 -19.6443 -19.6443 -4.0446 -4.0446 1.6742 1.6742 2.9835 2.9835 6.2739 6.2739 7.6289 7.6289 9.8869 9.8869 11.3409 11.3409 k = 0.4308 0.4308-0.0000 ( 3556 PWs) bands (ev): -47.7761 -47.7761 -19.8381 -19.8381 -19.6711 -19.6711 -19.6443 -19.6443 -4.0832 -4.0832 1.6989 1.6989 3.0037 3.0037 6.2262 6.2262 7.7262 7.7262 9.7727 9.7727 11.3446 11.3446 k = 0.4231 0.4231-0.0000 ( 3556 PWs) bands (ev): -47.7762 -47.7762 -19.8379 -19.8379 -19.6708 -19.6708 -19.6443 -19.6443 -4.1257 -4.1257 1.7265 1.7265 3.0267 3.0267 6.1746 6.1746 7.8331 7.8331 9.6572 9.6572 11.3452 11.3452 k = 0.4154 0.4154-0.0000 ( 3560 PWs) bands (ev): -47.7762 -47.7762 -19.8376 -19.8376 -19.6704 -19.6704 -19.6443 -19.6443 -4.1717 -4.1717 1.7568 1.7568 3.0525 3.0525 6.1195 6.1195 7.9492 7.9492 9.5410 9.5410 11.3448 11.3448 k = 0.4077 0.4077-0.0000 ( 3552 PWs) bands (ev): -47.7763 -47.7763 -19.8373 -19.8373 -19.6699 -19.6699 -19.6442 -19.6442 -4.2209 -4.2209 1.7897 1.7897 3.0813 3.0813 6.0611 6.0611 8.0742 8.0742 9.4245 9.4245 11.3453 11.3453 k = 0.4000 0.4000-0.0000 ( 3554 PWs) bands (ev): -47.7763 -47.7763 -19.8370 -19.8370 -19.6694 -19.6694 -19.6442 -19.6442 -4.2732 -4.2732 1.8254 1.8254 3.1132 3.1132 5.9999 5.9999 8.2076 8.2076 9.3082 9.3082 11.3484 11.3484 k = 0.3923 0.3923-0.0000 ( 3554 PWs) bands (ev): -47.7764 -47.7764 -19.8366 -19.8366 -19.6689 -19.6689 -19.6441 -19.6441 -4.3283 -4.3283 1.8636 1.8636 3.1482 3.1482 5.9362 5.9362 8.3489 8.3489 9.1924 9.1924 11.3550 11.3550 k = 0.3846 0.3846-0.0000 ( 3562 PWs) bands (ev): -47.7764 -47.7764 -19.8363 -19.8363 -19.6684 -19.6684 -19.6441 -19.6441 -4.3859 -4.3859 1.9044 1.9044 3.1864 3.1864 5.8703 5.8703 8.4970 8.4970 9.0781 9.0781 11.3657 11.3657 k = 0.3769 0.3769-0.0000 ( 3562 PWs) bands (ev): -47.7765 -47.7765 -19.8359 -19.8359 -19.6678 -19.6678 -19.6441 -19.6441 -4.4459 -4.4459 1.9476 1.9476 3.2278 3.2278 5.8027 5.8027 8.6494 8.6494 8.9678 8.9678 11.3809 11.3809 k = 0.3692 0.3692-0.0000 ( 3574 PWs) bands (ev): -47.7766 -47.7766 -19.8356 -19.8356 -19.6673 -19.6673 -19.6441 -19.6441 -4.5078 -4.5078 1.9933 1.9933 3.2724 3.2724 5.7338 5.7338 8.7743 8.7743 8.8929 8.8929 11.4007 11.4007 k = 0.3615 0.3615-0.0000 ( 3578 PWs) bands (ev): -47.7766 -47.7766 -19.8352 -19.8352 -19.6666 -19.6666 -19.6441 -19.6441 -4.5715 -4.5715 2.0412 2.0412 3.3203 3.3203 5.6638 5.6638 8.7161 8.7161 9.0091 9.0091 11.4254 11.4254 k = 0.3538 0.3538-0.0000 ( 3576 PWs) bands (ev): -47.7767 -47.7767 -19.8347 -19.8347 -19.6660 -19.6660 -19.6440 -19.6440 -4.6368 -4.6368 2.0914 2.0914 3.3715 3.3715 5.5932 5.5932 8.6099 8.6099 9.1807 9.1807 11.4550 11.4550 k = 0.3462 0.3462-0.0000 ( 3584 PWs) bands (ev): -47.7768 -47.7768 -19.8343 -19.8343 -19.6653 -19.6653 -19.6440 -19.6440 -4.7033 -4.7033 2.1437 2.1437 3.4260 3.4260 5.5224 5.5224 8.5011 8.5011 9.3623 9.3623 11.4895 11.4895 k = 0.3385 0.3385-0.0000 ( 3576 PWs) bands (ev): -47.7769 -47.7769 -19.8338 -19.8338 -19.6645 -19.6645 -19.6439 -19.6439 -4.7710 -4.7710 2.1979 2.1979 3.4837 3.4837 5.4517 5.4517 8.3927 8.3927 9.5505 9.5505 11.5290 11.5290 k = 0.3308 0.3308-0.0000 ( 3572 PWs) bands (ev): -47.7769 -47.7769 -19.8333 -19.8333 -19.6638 -19.6638 -19.6438 -19.6438 -4.8394 -4.8394 2.2540 2.2540 3.5447 3.5447 5.3817 5.3817 8.2855 8.2855 9.7442 9.7442 11.5734 11.5734 k = 0.3231 0.3231-0.0000 ( 3572 PWs) bands (ev): -47.7770 -47.7770 -19.8328 -19.8328 -19.6630 -19.6630 -19.6437 -19.6437 -4.9085 -4.9085 2.3118 2.3118 3.6087 3.6087 5.3126 5.3126 8.1798 8.1798 9.9425 9.9425 11.6230 11.6230 k = 0.3154 0.3154-0.0000 ( 3582 PWs) bands (ev): -47.7771 -47.7771 -19.8323 -19.8323 -19.6622 -19.6622 -19.6437 -19.6437 -4.9781 -4.9781 2.3711 2.3711 3.6758 3.6758 5.2450 5.2450 8.0759 8.0759 10.1449 10.1449 11.6780 11.6780 k = 0.3077 0.3077-0.0000 ( 3582 PWs) bands (ev): -47.7772 -47.7772 -19.8318 -19.8318 -19.6614 -19.6614 -19.6436 -19.6436 -5.0479 -5.0479 2.4316 2.4316 3.7459 3.7459 5.1793 5.1793 7.9739 7.9739 10.3504 10.3504 11.7385 11.7385 k = 0.3000 0.3000-0.0000 ( 3594 PWs) bands (ev): -47.7773 -47.7773 -19.8314 -19.8314 -19.6607 -19.6607 -19.6436 -19.6436 -5.1177 -5.1177 2.4931 2.4931 3.8186 3.8186 5.1161 5.1161 7.8740 7.8740 10.5581 10.5581 11.8051 11.8051 k = 0.2923 0.2923-0.0000 ( 3598 PWs) bands (ev): -47.7774 -47.7774 -19.8308 -19.8308 -19.6599 -19.6599 -19.6435 -19.6435 -5.1875 -5.1875 2.5553 2.5553 3.8939 3.8939 5.0561 5.0561 7.7762 7.7762 10.7667 10.7667 11.8786 11.8786 k = 0.2846 0.2846-0.0000 ( 3594 PWs) bands (ev): -47.7775 -47.7775 -19.8303 -19.8303 -19.6590 -19.6590 -19.6434 -19.6434 -5.2569 -5.2569 2.6178 2.6178 3.9714 3.9714 5.0000 5.0000 7.6808 7.6808 10.9743 10.9743 11.9602 11.9602 k = 0.2769 0.2769-0.0000 ( 3594 PWs) bands (ev): -47.7775 -47.7775 -19.8297 -19.8297 -19.6581 -19.6581 -19.6434 -19.6434 -5.3259 -5.3259 2.6801 2.6801 4.0506 4.0506 4.9488 4.9488 7.5877 7.5877 11.1786 11.1786 12.0516 12.0516 k = 0.2692 0.2692-0.0000 ( 3594 PWs) bands (ev): -47.7776 -47.7776 -19.8292 -19.8292 -19.6572 -19.6572 -19.6433 -19.6433 -5.3943 -5.3943 2.7417 2.7417 4.1307 4.1307 4.9038 4.9038 7.4972 7.4972 11.3762 11.3762 12.1554 12.1554 k = 0.2615 0.2615-0.0000 ( 3594 PWs) bands (ev): -47.7777 -47.7777 -19.8286 -19.8286 -19.6563 -19.6563 -19.6432 -19.6432 -5.4621 -5.4621 2.8020 2.8020 4.2107 4.2107 4.8668 4.8668 7.4094 7.4094 11.5628 11.5628 12.2747 12.2747 k = 0.2538 0.2538-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8281 -19.8281 -19.6554 -19.6554 -19.6431 -19.6431 -5.5289 -5.5289 2.8603 2.8603 4.2887 4.2887 4.8402 4.8402 7.3244 7.3244 11.7343 11.7343 12.4119 12.4119 k = 0.2462 0.2462-0.0000 ( 3578 PWs) bands (ev): -47.7779 -47.7779 -19.8275 -19.8275 -19.6545 -19.6545 -19.6430 -19.6430 -5.5948 -5.5948 2.9156 2.9156 4.3617 4.3617 4.8278 4.8278 7.2424 7.2424 11.8881 11.8881 12.5662 12.5662 k = 0.2385 0.2385-0.0000 ( 3582 PWs) bands (ev): -47.7780 -47.7780 -19.8269 -19.8269 -19.6536 -19.6536 -19.6429 -19.6429 -5.6595 -5.6595 2.9671 2.9671 4.4259 4.4259 4.8341 4.8341 7.1636 7.1636 12.0247 12.0247 12.7285 12.7285 k = 0.2308 0.2308-0.0000 ( 3586 PWs) bands (ev): -47.7781 -47.7781 -19.8264 -19.8264 -19.6527 -19.6527 -19.6428 -19.6428 -5.7231 -5.7231 3.0139 3.0139 4.4779 4.4779 4.8635 4.8635 7.0881 7.0881 12.1473 12.1473 12.8746 12.8746 k = 0.2231 0.2231-0.0000 ( 3586 PWs) bands (ev): -47.7781 -47.7781 -19.8259 -19.8259 -19.6518 -19.6518 -19.6427 -19.6427 -5.7854 -5.7854 3.0549 3.0549 4.5179 4.5179 4.9162 4.9162 7.0163 7.0163 12.2591 12.2591 12.9885 12.9885 k = 0.2154 0.2154-0.0000 ( 3592 PWs) bands (ev): -47.7782 -47.7782 -19.8253 -19.8253 -19.6509 -19.6509 -19.6426 -19.6426 -5.8463 -5.8463 3.0893 3.0893 4.5507 4.5507 4.9881 4.9881 6.9485 6.9485 12.3631 12.3631 13.0858 13.0858 k = 0.2077 0.2077-0.0000 ( 3590 PWs) bands (ev): -47.7783 -47.7783 -19.8248 -19.8248 -19.6500 -19.6500 -19.6425 -19.6425 -5.9057 -5.9057 3.1166 3.1166 4.5824 4.5824 5.0731 5.0731 6.8851 6.8851 12.4609 12.4609 13.1774 13.1774 k = 0.2000 0.2000-0.0000 ( 3592 PWs) bands (ev): -47.7784 -47.7784 -19.8243 -19.8243 -19.6492 -19.6492 -19.6424 -19.6424 -5.9635 -5.9635 3.1363 3.1363 4.6177 4.6177 5.1664 5.1664 6.8267 6.8267 12.5529 12.5529 13.2667 13.2667 k = 0.1923 0.1923-0.0000 ( 3604 PWs) bands (ev): -47.7785 -47.7785 -19.8238 -19.8238 -19.6484 -19.6484 -19.6423 -19.6423 -6.0197 -6.0197 3.1486 3.1486 4.6589 4.6589 5.2647 5.2647 6.7740 6.7740 12.6387 12.6387 13.3545 13.3545 k = 0.1846 0.1846-0.0000 ( 3602 PWs) bands (ev): -47.7786 -47.7786 -19.8233 -19.8233 -19.6475 -19.6475 -19.6422 -19.6422 -6.0742 -6.0742 3.1538 3.1538 4.7071 4.7071 5.3654 5.3654 6.7279 6.7279 12.7169 12.7169 13.4409 13.4409 k = 0.1769 0.1769-0.0000 ( 3602 PWs) bands (ev): -47.7787 -47.7787 -19.8228 -19.8228 -19.6467 -19.6467 -19.6421 -19.6421 -6.1269 -6.1269 3.1527 3.1527 4.7622 4.7622 5.4665 5.4665 6.6898 6.6898 12.7851 12.7851 13.5260 13.5260 k = 0.1692 0.1692-0.0000 ( 3600 PWs) bands (ev): -47.7788 -47.7788 -19.8224 -19.8224 -19.6458 -19.6458 -19.6420 -19.6420 -6.1777 -6.1777 3.1461 3.1461 4.8236 4.8236 5.5657 5.5657 6.6615 6.6615 12.8399 12.8399 13.6093 13.6093 k = 0.1615 0.1615-0.0000 ( 3600 PWs) bands (ev): -47.7788 -47.7788 -19.8219 -19.8219 -19.6450 -19.6450 -19.6419 -19.6419 -6.2266 -6.2266 3.1348 3.1348 4.8902 4.8902 5.6608 5.6608 6.6453 6.6453 12.8772 12.8772 13.6897 13.6897 k = 0.1538 0.1538-0.0000 ( 3608 PWs) bands (ev): -47.7789 -47.7789 -19.8215 -19.8215 -19.6443 -19.6443 -19.6418 -19.6418 -6.2736 -6.2736 3.1199 3.1199 4.9604 4.9604 5.7489 5.7489 6.6442 6.6442 12.8924 12.8924 13.7613 13.7613 k = 0.1462 0.1462-0.0000 ( 3602 PWs) bands (ev): -47.7790 -47.7790 -19.8210 -19.8210 -19.6435 -19.6435 -19.6417 -19.6417 -6.3186 -6.3186 3.1022 3.1022 5.0327 5.0327 5.8275 5.8275 6.6612 6.6612 12.8816 12.8816 13.7940 13.7940 k = 0.1385 0.1385-0.0000 ( 3606 PWs) bands (ev): -47.7791 -47.7791 -19.8206 -19.8206 -19.6428 -19.6428 -19.6416 -19.6416 -6.3615 -6.3615 3.0825 3.0825 5.1053 5.1053 5.8948 5.8948 6.6988 6.6988 12.8428 12.8428 13.7217 13.7217 k = 0.1308 0.1308-0.0000 ( 3606 PWs) bands (ev): -47.7791 -47.7791 -19.8202 -19.8202 -19.6421 -19.6421 -19.6414 -19.6414 -6.4023 -6.4023 3.0614 3.0614 5.1759 5.1759 5.9513 5.9513 6.7575 6.7575 12.7763 12.7763 13.5786 13.5786 k = 0.1231 0.1231-0.0000 ( 3610 PWs) bands (ev): -47.7792 -47.7792 -19.8199 -19.8199 -19.6416 -19.6416 -19.6412 -19.6412 -6.4410 -6.4410 3.0396 3.0396 5.2423 5.2423 5.9999 5.9999 6.8356 6.8356 12.6850 12.6850 13.4126 13.4126 k = 0.1154 0.1154-0.0000 ( 3610 PWs) bands (ev): -47.7793 -47.7793 -19.8195 -19.8195 -19.6414 -19.6414 -19.6407 -19.6407 -6.4775 -6.4775 3.0175 3.0175 5.3020 5.3020 6.0451 6.0451 6.9298 6.9298 12.5732 12.5732 13.2382 13.2382 k = 0.1077 0.1077-0.0000 ( 3618 PWs) bands (ev): -47.7793 -47.7793 -19.8192 -19.8192 -19.6413 -19.6413 -19.6402 -19.6402 -6.5118 -6.5118 2.9955 2.9955 5.3531 5.3531 6.0916 6.0916 7.0363 7.0363 12.4454 12.4454 13.0610 13.0610 k = 0.1000 0.1000-0.0000 ( 3622 PWs) bands (ev): -47.7794 -47.7794 -19.8189 -19.8189 -19.6412 -19.6412 -19.6396 -19.6396 -6.5439 -6.5439 2.9740 2.9740 5.3941 5.3941 6.1428 6.1428 7.1518 7.1518 12.3064 12.3064 12.8843 12.8843 k = 0.0923 0.0923-0.0000 ( 3612 PWs) bands (ev): -47.7794 -47.7794 -19.8186 -19.8186 -19.6411 -19.6411 -19.6390 -19.6390 -6.5737 -6.5737 2.9533 2.9533 5.4248 5.4248 6.2005 6.2005 7.2735 7.2735 12.1599 12.1599 12.7102 12.7102 k = 0.0846 0.0846-0.0000 ( 3612 PWs) bands (ev): -47.7795 -47.7795 -19.8183 -19.8183 -19.6410 -19.6410 -19.6385 -19.6385 -6.6012 -6.6012 2.9335 2.9335 5.4461 5.4461 6.2644 6.2644 7.3991 7.3991 12.0093 12.0093 12.5407 12.5407 k = 0.0769 0.0769-0.0000 ( 3612 PWs) bands (ev): -47.7795 -47.7795 -19.8181 -19.8181 -19.6409 -19.6409 -19.6381 -19.6381 -6.6264 -6.6264 2.9150 2.9150 5.4595 5.4595 6.3331 6.3331 7.5267 7.5267 11.8575 11.8575 12.3775 12.3775 k = 0.0692 0.0692-0.0000 ( 3612 PWs) bands (ev): -47.7795 -47.7795 -19.8178 -19.8178 -19.6409 -19.6409 -19.6377 -19.6377 -6.6492 -6.6492 2.8978 2.8978 5.4668 5.4668 6.4047 6.4047 7.6545 7.6545 11.7068 11.7068 12.2222 12.2222 k = 0.0615 0.0615-0.0000 ( 3606 PWs) bands (ev): -47.7796 -47.7796 -19.8176 -19.8176 -19.6408 -19.6408 -19.6372 -19.6372 -6.6697 -6.6697 2.8822 2.8822 5.4698 5.4698 6.4767 6.4767 7.7808 7.7808 11.5595 11.5595 12.0766 12.0766 k = 0.0538 0.0538-0.0000 ( 3600 PWs) bands (ev): -47.7796 -47.7796 -19.8174 -19.8174 -19.6407 -19.6407 -19.6369 -19.6369 -6.6878 -6.6878 2.8681 2.8681 5.4698 5.4698 6.5469 6.5469 7.9035 7.9035 11.4179 11.4179 11.9424 11.9424 k = 0.0462 0.0462-0.0000 ( 3608 PWs) bands (ev): -47.7796 -47.7796 -19.8173 -19.8173 -19.6407 -19.6407 -19.6366 -19.6366 -6.7035 -6.7035 2.8557 2.8557 5.4681 5.4681 6.6131 6.6131 8.0204 8.0204 11.2844 11.2844 11.8213 11.8213 k = 0.0385 0.0385-0.0000 ( 3590 PWs) bands (ev): -47.7796 -47.7796 -19.8171 -19.8171 -19.6406 -19.6406 -19.6363 -19.6363 -6.7169 -6.7169 2.8452 2.8452 5.4655 5.4655 6.6732 6.6732 8.1289 8.1289 11.1618 11.1618 11.7150 11.7150 k = 0.0308 0.0308-0.0000 ( 3586 PWs) bands (ev): -47.7797 -47.7797 -19.8169 -19.8169 -19.6405 -19.6405 -19.6360 -19.6360 -6.7278 -6.7278 2.8364 2.8364 5.4626 5.4626 6.7254 6.7254 8.2256 8.2256 11.0534 11.0534 11.6253 11.6253 k = 0.0231 0.0231-0.0000 ( 3586 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6405 -19.6405 -19.6359 -19.6359 -6.7363 -6.7363 2.8296 2.8296 5.4600 5.4600 6.7680 6.7680 8.3070 8.3070 10.9629 10.9629 11.5537 11.5537 k = 0.0154 0.0154-0.0000 ( 3585 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6405 -19.6405 -19.6357 -19.6357 -6.7424 -6.7424 2.8247 2.8247 5.4579 5.4579 6.7995 6.7995 8.3691 8.3691 10.8942 10.8942 11.5015 11.5015 k = 0.0077 0.0077-0.0000 ( 3585 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6357 -19.6357 -6.7460 -6.7460 2.8217 2.8217 5.4565 5.4565 6.8189 6.8189 8.4082 8.4082 10.8512 10.8512 11.4697 11.4697 k = 0.0000 0.0000 0.0000 ( 3583 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7472 -6.7472 2.8207 2.8207 5.4560 5.4560 6.8254 6.8254 8.4215 8.4215 10.8365 10.8365 11.4591 11.4591 k = 0.0000 0.0000 0.0000 ( 3583 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7472 -6.7472 2.8207 2.8207 5.4560 5.4560 6.8254 6.8254 8.4215 8.4215 10.8365 10.8365 11.4591 11.4591 k = 0.0000 0.0000 0.0109 ( 3583 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7468 -6.7468 2.8105 2.8105 5.4680 5.4680 6.8278 6.8278 8.4221 8.4221 10.8376 10.8376 11.4604 11.4604 k = 0.0000 0.0000 0.0218 ( 3591 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6405 -19.6405 -19.6356 -19.6356 -6.7455 -6.7455 2.7806 2.7806 5.5030 5.5030 6.8351 6.8351 8.4236 8.4236 10.8406 10.8406 11.4642 11.4642 k = 0.0000 0.0000 0.0328 ( 3595 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6406 -19.6406 -19.6357 -19.6357 -6.7433 -6.7433 2.7326 2.7326 5.5589 5.5589 6.8477 6.8477 8.4263 8.4263 10.8457 10.8457 11.4707 11.4707 k = 0.0000 0.0000 0.0437 ( 3579 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7402 -6.7402 2.6692 2.6692 5.6325 5.6325 6.8665 6.8665 8.4299 8.4299 10.8529 10.8529 11.4798 11.4798 k = 0.0000 0.0000 0.0546 ( 3579 PWs) bands (ev): -47.7797 -47.7797 -19.8167 -19.8167 -19.6405 -19.6405 -19.6356 -19.6356 -6.7363 -6.7363 2.5931 2.5931 5.7195 5.7195 6.8927 6.8927 8.4346 8.4346 10.8620 10.8620 11.4914 11.4914 k = 0.0000 0.0000 0.0655 ( 3587 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6406 -19.6406 -19.6356 -19.6356 -6.7317 -6.7317 2.5071 2.5071 5.8155 5.8155 6.9279 6.9279 8.4402 8.4402 10.8731 10.8731 11.5056 11.5056 k = 0.0000 0.0000 0.0765 ( 3587 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6407 -19.6407 -19.6356 -19.6356 -6.7262 -6.7262 2.4136 2.4136 5.9158 5.9158 6.9744 6.9744 8.4467 8.4467 10.8862 10.8862 11.5225 11.5225 k = 0.0000 0.0000 0.0874 ( 3587 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6407 -19.6407 -19.6356 -19.6356 -6.7200 -6.7200 2.3150 2.3150 6.0152 6.0152 7.0350 7.0350 8.4542 8.4542 10.9011 10.9011 11.5419 11.5419 k = 0.0000 0.0000 0.0983 ( 3579 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6408 -19.6408 -19.6356 -19.6356 -6.7131 -6.7131 2.2131 2.2131 6.1092 6.1092 7.1125 7.1125 8.4624 8.4624 10.9179 10.9179 11.5639 11.5639 k = 0.0000 0.0000 0.1092 ( 3575 PWs) bands (ev): -47.7797 -47.7797 -19.8168 -19.8168 -19.6408 -19.6408 -19.6356 -19.6356 -6.7056 -6.7056 2.1093 2.1093 6.1939 6.1939 7.2090 7.2090 8.4715 8.4715 10.9366 10.9366 11.5884 11.5884 k = 0.0000 0.0000 0.1201 ( 3571 PWs) bands (ev): -47.7797 -47.7797 -19.8169 -19.8169 -19.6408 -19.6408 -19.6356 -19.6356 -6.6976 -6.6976 2.0049 2.0049 6.2672 6.2672 7.3254 7.3254 8.4812 8.4812 10.9569 10.9569 11.6156 11.6156 k = 0.0000 0.0000 0.1311 ( 3571 PWs) bands (ev): -47.7797 -47.7797 -19.8169 -19.8169 -19.6409 -19.6409 -19.6355 -19.6355 -6.6890 -6.6890 1.9009 1.9009 6.3287 6.3287 7.4610 7.4610 8.4916 8.4916 10.9790 10.9790 11.6453 11.6453 k = 0.0000 0.0000 0.1420 ( 3588 PWs) bands (ev): -47.7797 -47.7797 -19.8170 -19.8170 -19.6411 -19.6411 -19.6356 -19.6356 -6.6800 -6.6800 1.7982 1.7982 6.3794 6.3794 7.6136 7.6136 8.5025 8.5025 11.0027 11.0027 11.6777 11.6777 k = 0.0000 0.0000 0.1529 ( 3596 PWs) bands (ev): -47.7797 -47.7797 -19.8171 -19.8171 -19.6412 -19.6412 -19.6356 -19.6356 -6.6706 -6.6706 1.6975 1.6975 6.4211 6.4211 7.7808 7.7808 8.5139 8.5139 11.0280 11.0280 11.7126 11.7126 k = 0.0000 0.0000 0.1638 ( 3596 PWs) bands (ev): -47.7797 -47.7797 -19.8171 -19.8171 -19.6413 -19.6413 -19.6356 -19.6356 -6.6610 -6.6610 1.5994 1.5994 6.4555 6.4555 7.9598 7.9598 8.5256 8.5256 11.0547 11.0547 11.7500 11.7500 k = 0.0000 0.0000 0.1747 ( 3596 PWs) bands (ev): -47.7797 -47.7797 -19.8171 -19.8171 -19.6413 -19.6413 -19.6356 -19.6356 -6.6511 -6.6511 1.5044 1.5044 6.4844 6.4844 8.1483 8.1483 8.5376 8.5376 11.0829 11.0829 11.7901 11.7901 k = 0.0000 0.0000 0.1857 ( 3592 PWs) bands (ev): -47.7797 -47.7797 -19.8172 -19.8172 -19.6414 -19.6414 -19.6356 -19.6356 -6.6412 -6.6412 1.4130 1.4130 6.5089 6.5089 8.3443 8.3443 8.5498 8.5498 11.1124 11.1124 11.8326 11.8326 k = 0.0000 0.0000 0.1966 ( 3592 PWs) bands (ev): -47.7797 -47.7797 -19.8172 -19.8172 -19.6415 -19.6415 -19.6356 -19.6356 -6.6312 -6.6312 1.3255 1.3255 6.5300 6.5300 8.5461 8.5461 8.5621 8.5621 11.1432 11.1432 11.8778 11.8778 k = 0.0000 0.0000 0.2075 ( 3592 PWs) bands (ev): -47.7797 -47.7797 -19.8172 -19.8172 -19.6416 -19.6416 -19.6356 -19.6356 -6.6213 -6.6213 1.2422 1.2422 6.5484 6.5484 8.5742 8.5742 8.7521 8.7521 11.1753 11.1753 11.9254 11.9254 k = 0.0000 0.0000 0.2184 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8172 -19.8172 -19.6416 -19.6416 -19.6355 -19.6355 -6.6115 -6.6115 1.1635 1.1635 6.5646 6.5646 8.5863 8.5863 8.9610 8.9610 11.2088 11.2088 11.9756 11.9756 k = 0.0000 0.0000 0.2294 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8173 -19.8173 -19.6417 -19.6417 -19.6355 -19.6355 -6.6020 -6.6020 1.0896 1.0896 6.5789 6.5789 8.5980 8.5980 9.1711 9.1711 11.2437 11.2437 12.0282 12.0282 k = 0.0000 0.0000 0.2403 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8173 -19.8173 -19.6418 -19.6418 -19.6355 -19.6355 -6.5929 -6.5929 1.0208 1.0208 6.5917 6.5917 8.6093 8.6093 9.3809 9.3809 11.2802 11.2802 12.0833 12.0833 k = 0.0000 0.0000 0.2512 ( 3580 PWs) bands (ev): -47.7797 -47.7797 -19.8173 -19.8173 -19.6418 -19.6418 -19.6355 -19.6355 -6.5841 -6.5841 0.9572 0.9572 6.6031 6.6031 8.6202 8.6202 9.5886 9.5886 11.3187 11.3187 12.1407 12.1407 k = 0.0000 0.0000 0.2621 ( 3580 PWs) bands (ev): -47.7797 -47.7797 -19.8173 -19.8173 -19.6419 -19.6419 -19.6355 -19.6355 -6.5759 -6.5759 0.8992 0.8992 6.6132 6.6132 8.6304 8.6304 9.7917 9.7917 11.3598 11.3598 12.2004 12.2004 k = 0.0000 0.0000 0.2730 ( 3580 PWs) bands (ev): -47.7797 -47.7797 -19.8174 -19.8174 -19.6420 -19.6420 -19.6354 -19.6354 -6.5684 -6.5684 0.8468 0.8468 6.6221 6.6221 8.6398 8.6398 9.9875 9.9875 11.4043 11.4043 12.2623 12.2623 k = 0.0000 0.0000 0.2840 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8174 -19.8174 -19.6420 -19.6420 -19.6355 -19.6355 -6.5615 -6.5615 0.8001 0.8001 6.6299 6.6299 8.6485 8.6485 10.1723 10.1723 11.4533 11.4533 12.3262 12.3262 k = 0.0000 0.0000 0.2949 ( 3576 PWs) bands (ev): -47.7797 -47.7797 -19.8174 -19.8174 -19.6420 -19.6420 -19.6354 -19.6354 -6.5553 -6.5553 0.7595 0.7595 6.6366 6.6366 8.6562 8.6562 10.3417 10.3417 11.5078 11.5078 12.3918 12.3918 k = 0.0000 0.0000 0.3058 ( 3588 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6421 -19.6421 -19.6355 -19.6355 -6.5500 -6.5500 0.7248 0.7248 6.6423 6.6423 8.6628 8.6628 10.4909 10.4909 11.5686 11.5686 12.4585 12.4585 k = 0.0000 0.0000 0.3167 ( 3596 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5456 -6.5456 0.6964 0.6964 6.6469 6.6469 8.6684 8.6684 10.6153 10.6153 11.6344 11.6344 12.5254 12.5254 k = 0.0000 0.0000 0.3277 ( 3596 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5421 -6.5421 0.6742 0.6742 6.6505 6.6505 8.6728 8.6728 10.7119 10.7119 11.7012 11.7012 12.5907 12.5907 k = 0.0000 0.0000 0.3386 ( 3588 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5395 -6.5395 0.6582 0.6582 6.6530 6.6530 8.6760 8.6760 10.7798 10.7798 11.7607 11.7607 12.6505 12.6505 k = 0.0000 0.0000 0.3495 ( 3588 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5380 -6.5380 0.6487 0.6487 6.6546 6.6546 8.6779 8.6779 10.8197 10.8197 11.8027 11.8027 12.6966 12.6966 k = 0.0000 0.0000 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5375 -6.5375 0.6455 0.6455 6.6551 6.6551 8.6785 8.6785 10.8328 10.8328 11.8180 11.8180 12.7150 12.7150 k = 0.0000 0.0000 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5375 -6.5375 0.6455 0.6455 6.6551 6.6551 8.6785 8.6785 10.8328 10.8328 11.8180 11.8180 12.7150 12.7150 k = 0.0000 0.0109 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5363 -6.5363 0.6469 0.6469 6.6486 6.6486 8.6650 8.6650 10.8461 10.8461 11.8183 11.8183 12.7258 12.7258 k = 0.0000 0.0217 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6356 -19.6356 -6.5328 -6.5328 0.6511 0.6511 6.6291 6.6291 8.6264 8.6264 10.8840 10.8840 11.8191 11.8191 12.7581 12.7581 k = 0.0000 0.0326 0.3604 ( 3584 PWs) bands (ev): -47.7796 -47.7796 -19.8176 -19.8176 -19.6422 -19.6422 -19.6357 -19.6357 -6.5270 -6.5270 0.6582 0.6582 6.5958 6.5958 8.5681 8.5681 10.9412 10.9412 11.8197 11.8197 12.8103 12.8103 k = 0.0000 0.0435 0.3604 ( 3586 PWs) bands (ev): -47.7796 -47.7796 -19.8177 -19.8177 -19.6423 -19.6423 -19.6358 -19.6358 -6.5189 -6.5189 0.6681 0.6681 6.5477 6.5477 8.4973 8.4973 11.0108 11.0108 11.8191 11.8191 12.7826 12.7826 k = 0.0000 0.0543 0.3604 ( 3590 PWs) bands (ev): -47.7796 -47.7796 -19.8178 -19.8178 -19.6423 -19.6423 -19.6360 -19.6360 -6.5085 -6.5085 0.6808 0.6808 6.4838 6.4838 8.4213 8.4213 11.0862 11.0862 11.8150 11.8150 12.6452 12.6452 k = 0.0000 0.0652 0.3604 ( 3586 PWs) bands (ev): -47.7796 -47.7796 -19.8179 -19.8179 -19.6424 -19.6424 -19.6362 -19.6362 -6.4957 -6.4957 0.6963 0.6963 6.4032 6.4032 8.3463 8.3463 11.1615 11.1615 11.8031 11.8031 12.4997 12.4997 k = 0.0000 0.0761 0.3604 ( 3580 PWs) bands (ev): -47.7796 -47.7796 -19.8181 -19.8181 -19.6424 -19.6424 -19.6365 -19.6365 -6.4808 -6.4808 0.7146 0.7146 6.3055 6.3055 8.2772 8.2772 11.2317 11.2317 11.7756 11.7756 12.3630 12.3630 k = 0.0000 0.0870 0.3604 ( 3570 PWs) bands (ev): -47.7795 -47.7795 -19.8182 -19.8182 -19.6425 -19.6425 -19.6367 -19.6367 -6.4635 -6.4635 0.7356 0.7356 6.1910 6.1910 8.2173 8.2173 11.2910 11.2910 11.7223 11.7223 12.2539 12.2539 k = 0.0000 0.0978 0.3604 ( 3576 PWs) bands (ev): -47.7795 -47.7795 -19.8184 -19.8184 -19.6427 -19.6427 -19.6369 -19.6369 -6.4441 -6.4441 0.7593 0.7593 6.0607 6.0607 8.1680 8.1680 11.3261 11.3261 11.6455 11.6455 12.1856 12.1856 k = 0.0000 0.1087 0.3604 ( 3568 PWs) bands (ev): -47.7794 -47.7794 -19.8186 -19.8186 -19.6429 -19.6429 -19.6372 -19.6372 -6.4225 -6.4225 0.7856 0.7856 5.9164 5.9164 8.1299 8.1299 11.2991 11.2991 11.5884 11.5884 12.1553 12.1553 k = 0.0000 0.1196 0.3604 ( 3578 PWs) bands (ev): -47.7794 -47.7794 -19.8189 -19.8189 -19.6432 -19.6432 -19.6374 -19.6374 -6.3987 -6.3987 0.8145 0.8145 5.7600 5.7600 8.1025 8.1025 11.1840 11.1840 11.5916 11.5916 12.1504 12.1504 k = 0.0000 0.1304 0.3604 ( 3580 PWs) bands (ev): -47.7794 -47.7794 -19.8192 -19.8192 -19.6436 -19.6436 -19.6376 -19.6376 -6.3728 -6.3728 0.8460 0.8460 5.5938 5.5938 8.0849 8.0849 11.0209 11.0209 11.6266 11.6266 12.1609 12.1609 k = 0.0000 0.1413 0.3604 ( 3582 PWs) bands (ev): -47.7793 -47.7793 -19.8194 -19.8194 -19.6440 -19.6440 -19.6378 -19.6378 -6.3448 -6.3448 0.8800 0.8800 5.4199 5.4199 8.0759 8.0759 10.8395 10.8395 11.6712 11.6712 12.1811 12.1811 k = 0.0000 0.1522 0.3604 ( 3578 PWs) bands (ev): -47.7793 -47.7793 -19.8197 -19.8197 -19.6445 -19.6445 -19.6378 -19.6378 -6.3149 -6.3149 0.9163 0.9163 5.2401 5.2401 8.0744 8.0744 10.6505 10.6505 11.7188 11.7188 12.2081 12.2081 k = 0.0000 0.1630 0.3604 ( 3582 PWs) bands (ev): -47.7792 -47.7792 -19.8201 -19.8201 -19.6450 -19.6450 -19.6379 -19.6379 -6.2830 -6.2830 0.9550 0.9550 5.0564 5.0564 8.0792 8.0792 10.4585 10.4585 11.7677 11.7677 12.2401 12.2401 k = 0.0000 0.1739 0.3604 ( 3586 PWs) bands (ev): -47.7792 -47.7792 -19.8204 -19.8204 -19.6457 -19.6457 -19.6379 -19.6379 -6.2492 -6.2492 0.9958 0.9958 4.8701 4.8701 8.0893 8.0893 10.2660 10.2660 11.8174 11.8174 12.2764 12.2764 k = 0.0000 0.1848 0.3604 ( 3590 PWs) bands (ev): -47.7791 -47.7791 -19.8208 -19.8208 -19.6463 -19.6463 -19.6380 -19.6380 -6.2135 -6.2135 1.0388 1.0388 4.6826 4.6826 8.1036 8.1036 10.0745 10.0745 11.8679 11.8679 12.3161 12.3161 k = 0.0000 0.1957 0.3604 ( 3602 PWs) bands (ev): -47.7791 -47.7791 -19.8212 -19.8212 -19.6471 -19.6471 -19.6380 -19.6380 -6.1762 -6.1762 1.0836 1.0836 4.4951 4.4951 8.1211 8.1211 9.8851 9.8851 11.9192 11.9192 12.3589 12.3589 k = 0.0000 0.2065 0.3604 ( 3606 PWs) bands (ev): -47.7790 -47.7790 -19.8217 -19.8217 -19.6479 -19.6479 -19.6379 -19.6379 -6.1372 -6.1372 1.1301 1.1301 4.3084 4.3084 8.1407 8.1407 9.6989 9.6989 11.9716 11.9716 12.4045 12.4045 k = 0.0000 0.2174 0.3604 ( 3606 PWs) bands (ev): -47.7790 -47.7790 -19.8221 -19.8221 -19.6486 -19.6486 -19.6379 -19.6379 -6.0967 -6.0967 1.1781 1.1781 4.1237 4.1237 8.1611 8.1611 9.5173 9.5173 12.0252 12.0252 12.4526 12.4526 k = 0.0000 0.2283 0.3604 ( 3606 PWs) bands (ev): -47.7789 -47.7789 -19.8225 -19.8225 -19.6494 -19.6494 -19.6378 -19.6378 -6.0547 -6.0547 1.2273 1.2273 3.9417 3.9417 8.1805 8.1805 9.3418 9.3418 12.0800 12.0800 12.5030 12.5030 k = 0.0000 0.2391 0.3604 ( 3614 PWs) bands (ev): -47.7788 -47.7788 -19.8229 -19.8229 -19.6502 -19.6502 -19.6377 -19.6377 -6.0114 -6.0114 1.2773 1.2773 3.7633 3.7633 8.1962 8.1962 9.1751 9.1751 12.1364 12.1364 12.5555 12.5555 k = 0.0000 0.2500 0.3604 ( 3614 PWs) bands (ev): -47.7788 -47.7788 -19.8234 -19.8234 -19.6510 -19.6510 -19.6376 -19.6376 -5.9670 -5.9670 1.3276 1.3276 3.5895 3.5895 8.2037 8.2037 9.0215 9.0215 12.1942 12.1942 12.6099 12.6099 k = 0.0000 0.2609 0.3604 ( 3614 PWs) bands (ev): -47.7787 -47.7787 -19.8238 -19.8238 -19.6518 -19.6518 -19.6374 -19.6374 -5.9215 -5.9215 1.3775 1.3775 3.4212 3.4212 8.1956 8.1956 8.8883 8.8883 12.2537 12.2537 12.6660 12.6660 k = 0.0000 0.2717 0.3604 ( 3602 PWs) bands (ev): -47.7786 -47.7786 -19.8242 -19.8242 -19.6525 -19.6525 -19.6373 -19.6373 -5.8751 -5.8751 1.4262 1.4262 3.2597 3.2597 8.1615 8.1615 8.7860 8.7860 12.3149 12.3149 12.7236 12.7236 k = 0.0000 0.2826 0.3604 ( 3594 PWs) bands (ev): -47.7786 -47.7786 -19.8246 -19.8246 -19.6532 -19.6532 -19.6371 -19.6371 -5.8281 -5.8281 1.4726 1.4726 3.1063 3.1063 8.0929 8.0929 8.7227 8.7227 12.3777 12.3777 12.7825 12.7825 k = 0.0000 0.2935 0.3604 ( 3598 PWs) bands (ev): -47.7785 -47.7785 -19.8251 -19.8251 -19.6540 -19.6540 -19.6370 -19.6370 -5.7806 -5.7806 1.5148 1.5148 2.9631 2.9631 7.9919 7.9919 8.6964 8.6964 12.4423 12.4423 12.8425 12.8425 k = 0.0000 0.3043 0.3604 ( 3590 PWs) bands (ev): -47.7784 -47.7784 -19.8255 -19.8255 -19.6547 -19.6547 -19.6369 -19.6369 -5.7327 -5.7327 1.5507 1.5507 2.8325 2.8325 7.8690 7.8690 8.6966 8.6966 12.5085 12.5085 12.9034 12.9034 k = 0.0000 0.3152 0.3604 ( 3590 PWs) bands (ev): -47.7784 -47.7784 -19.8260 -19.8260 -19.6554 -19.6554 -19.6367 -19.6367 -5.6849 -5.6849 1.5770 1.5770 2.7177 2.7177 7.7345 7.7345 8.7128 8.7128 12.5764 12.5764 12.9649 12.9649 k = 0.0000 0.3261 0.3604 ( 3592 PWs) bands (ev): -47.7783 -47.7783 -19.8264 -19.8264 -19.6561 -19.6561 -19.6366 -19.6366 -5.6372 -5.6372 1.5901 1.5901 2.6228 2.6228 7.5953 7.5953 8.7383 8.7383 12.6458 12.6458 13.0269 13.0269 k = 0.0000 0.3370 0.3604 ( 3592 PWs) bands (ev): -47.7783 -47.7783 -19.8268 -19.8268 -19.6568 -19.6568 -19.6365 -19.6365 -5.5899 -5.5899 1.5860 1.5860 2.5517 2.5517 7.4552 7.4552 8.7690 8.7690 12.7167 12.7167 13.0891 13.0891 k = 0.0000 0.3478 0.3604 ( 3600 PWs) bands (ev): -47.7782 -47.7782 -19.8273 -19.8273 -19.6575 -19.6575 -19.6364 -19.6364 -5.5435 -5.5435 1.5624 1.5624 2.5067 2.5067 7.3168 7.3168 8.8027 8.8027 12.7888 12.7888 13.1514 13.1514 k = 0.0000 0.3587 0.3604 ( 3600 PWs) bands (ev): -47.7782 -47.7782 -19.8277 -19.8277 -19.6581 -19.6581 -19.6363 -19.6363 -5.4980 -5.4980 1.5200 1.5200 2.4871 2.4871 7.1818 7.1818 8.8377 8.8377 12.8620 12.8620 13.2134 13.2134 k = 0.0000 0.3696 0.3604 ( 3596 PWs) bands (ev): -47.7781 -47.7781 -19.8281 -19.8281 -19.6586 -19.6586 -19.6361 -19.6361 -5.4539 -5.4539 1.4626 1.4626 2.4892 2.4892 7.0511 7.0511 8.8730 8.8730 12.9357 12.9357 13.2752 13.2752 k = 0.0000 0.3804 0.3604 ( 3596 PWs) bands (ev): -47.7781 -47.7781 -19.8284 -19.8284 -19.6592 -19.6592 -19.6360 -19.6360 -5.4116 -5.4116 1.3954 1.3954 2.5075 2.5075 6.9260 6.9260 8.9079 8.9079 13.0095 13.0095 13.3366 13.3366 k = 0.0000 0.3913 0.3604 ( 3596 PWs) bands (ev): -47.7780 -47.7780 -19.8288 -19.8288 -19.6596 -19.6596 -19.6359 -19.6359 -5.3712 -5.3712 1.3236 1.3236 2.5368 2.5368 6.8073 6.8073 8.9416 8.9416 13.0827 13.0827 13.3976 13.3976 k = 0.0000 0.4022 0.3604 ( 3596 PWs) bands (ev): -47.7780 -47.7780 -19.8291 -19.8291 -19.6601 -19.6601 -19.6358 -19.6358 -5.3333 -5.3333 1.2512 1.2512 2.5729 2.5729 6.6958 6.6958 8.9737 8.9737 13.1542 13.1542 13.4585 13.4585 k = 0.0000 0.4130 0.3604 ( 3596 PWs) bands (ev): -47.7780 -47.7780 -19.8294 -19.8294 -19.6605 -19.6605 -19.6358 -19.6358 -5.2982 -5.2982 1.1811 1.1811 2.6124 2.6124 6.5924 6.5924 9.0036 9.0036 13.2229 13.2229 13.5196 13.5196 k = 0.0000 0.4239 0.3604 ( 3594 PWs) bands (ev): -47.7779 -47.7779 -19.8296 -19.8296 -19.6608 -19.6608 -19.6357 -19.6357 -5.2661 -5.2661 1.1157 1.1157 2.6526 2.6526 6.4980 6.4980 9.0310 9.0310 13.2872 13.2872 13.5812 13.5812 k = 0.0000 0.4348 0.3604 ( 3598 PWs) bands (ev): -47.7779 -47.7779 -19.8299 -19.8299 -19.6612 -19.6612 -19.6356 -19.6356 -5.2375 -5.2375 1.0566 1.0566 2.6916 2.6916 6.4137 6.4137 9.0556 9.0556 13.3455 13.3455 13.6434 13.6434 k = 0.0000 0.4457 0.3604 ( 3602 PWs) bands (ev): -47.7779 -47.7779 -19.8301 -19.8301 -19.6615 -19.6615 -19.6356 -19.6356 -5.2127 -5.2127 1.0048 1.0048 2.7276 2.7276 6.3402 6.3402 9.0769 9.0769 13.3963 13.3963 13.7060 13.7060 k = 0.0000 0.4565 0.3604 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6616 -19.6616 -19.6355 -19.6355 -5.1920 -5.1920 0.9614 0.9614 2.7592 2.7592 6.2785 6.2785 9.0947 9.0947 13.4385 13.4385 13.7672 13.7672 k = 0.0000 0.4674 0.3604 ( 3594 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6355 -19.6355 -5.1756 -5.1756 0.9270 0.9270 2.7851 2.7851 6.2294 6.2294 9.1089 9.1089 13.4716 13.4716 13.8241 13.8241 k = 0.0000 0.4783 0.3604 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6354 -19.6354 -5.1637 -5.1637 0.9020 0.9020 2.8044 2.8044 6.1938 6.1938 9.1191 9.1191 13.4952 13.4952 13.8719 13.8719 k = 0.0000 0.4891 0.3604 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1565 -5.1565 0.8870 0.8870 2.8162 2.8162 6.1722 6.1722 9.1253 9.1253 13.5093 13.5093 13.9046 13.9046 k = 0.0000 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6621 -19.6621 -19.6354 -19.6354 -5.1541 -5.1541 0.8819 0.8819 2.8202 2.8202 6.1649 6.1649 9.1274 9.1274 13.5140 13.5140 13.9163 13.9163 k = 0.0000 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6621 -19.6621 -19.6354 -19.6354 -5.1541 -5.1541 0.8819 0.8819 2.8202 2.8202 6.1649 6.1649 9.1274 9.1274 13.5140 13.5140 13.9163 13.9163 k = 0.0109 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8306 -19.8306 -19.6621 -19.6621 -19.6355 -19.6355 -5.1529 -5.1529 0.8831 0.8831 2.8216 2.8216 6.1664 6.1664 9.1118 9.1118 13.4990 13.4990 13.9423 13.9423 k = 0.0217 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8306 -19.8306 -19.6621 -19.6621 -19.6355 -19.6355 -5.1494 -5.1494 0.8866 0.8866 2.8256 2.8256 6.1707 6.1707 9.0657 9.0657 13.4605 13.4605 14.0123 14.0123 k = 0.0326 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7778 -47.7778 -19.8306 -19.8306 -19.6620 -19.6620 -19.6357 -19.6357 -5.1435 -5.1435 0.8924 0.8924 2.8322 2.8322 6.1779 6.1779 8.9909 8.9909 13.4082 13.4082 14.1133 14.1133 k = 0.0435 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7778 -47.7778 -19.8306 -19.8306 -19.6620 -19.6620 -19.6358 -19.6358 -5.1353 -5.1353 0.9005 0.9005 2.8415 2.8415 6.1880 6.1880 8.8904 8.8904 13.3458 13.3458 14.2354 14.2354 k = 0.0543 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7778 -47.7778 -19.8307 -19.8307 -19.6620 -19.6620 -19.6360 -19.6360 -5.1248 -5.1248 0.9110 0.9110 2.8534 2.8534 6.2009 6.2009 8.7672 8.7672 13.2726 13.2726 14.0903 14.0903 k = 0.0652 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7777 -47.7777 -19.8308 -19.8308 -19.6621 -19.6621 -19.6363 -19.6363 -5.1119 -5.1119 0.9237 0.9237 2.8680 2.8680 6.2167 6.2167 8.6250 8.6250 13.1860 13.1860 13.8960 13.8960 k = 0.0761 0.5000 0.3604 ( 3584 PWs) bands (ev): -47.7777 -47.7777 -19.8308 -19.8308 -19.6621 -19.6621 -19.6365 -19.6365 -5.0968 -5.0968 0.9386 0.9386 2.8851 2.8851 6.2353 6.2353 8.4669 8.4669 13.0828 13.0828 13.7040 13.7040 k = 0.0870 0.5000 0.3604 ( 3584 PWs) bands (ev): -47.7777 -47.7777 -19.8309 -19.8309 -19.6621 -19.6621 -19.6369 -19.6369 -5.0794 -5.0794 0.9557 0.9557 2.9048 2.9048 6.2568 6.2568 8.2960 8.2960 12.9609 12.9609 13.5166 13.5166 k = 0.0978 0.5000 0.3604 ( 3576 PWs) bands (ev): -47.7776 -47.7776 -19.8310 -19.8310 -19.6622 -19.6622 -19.6372 -19.6372 -5.0598 -5.0598 0.9750 0.9750 2.9270 2.9270 6.2811 6.2811 8.1150 8.1150 12.8199 12.8199 13.3341 13.3341 k = 0.1087 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7776 -47.7776 -19.8312 -19.8312 -19.6623 -19.6623 -19.6376 -19.6376 -5.0379 -5.0379 0.9964 0.9964 2.9517 2.9517 6.3082 6.3082 7.9262 7.9262 12.6617 12.6617 13.1555 13.1555 k = 0.1196 0.5000 0.3604 ( 3592 PWs) bands (ev): -47.7776 -47.7776 -19.8314 -19.8314 -19.6624 -19.6624 -19.6380 -19.6380 -5.0139 -5.0139 1.0198 1.0198 2.9789 2.9789 6.3381 6.3381 7.7316 7.7316 12.4902 12.4902 12.9787 12.9787 k = 0.1304 0.5000 0.3604 ( 3592 PWs) bands (ev): -47.7775 -47.7775 -19.8316 -19.8316 -19.6625 -19.6625 -19.6385 -19.6385 -4.9878 -4.9878 1.0451 1.0451 3.0085 3.0085 6.3708 6.3708 7.5328 7.5328 12.3091 12.3091 12.8017 12.8017 k = 0.1413 0.5000 0.3604 ( 3592 PWs) bands (ev): -47.7775 -47.7775 -19.8318 -19.8318 -19.6626 -19.6626 -19.6389 -19.6389 -4.9595 -4.9595 1.0724 1.0724 3.0404 3.0404 6.4061 6.4061 7.3313 7.3313 12.1222 12.1222 12.6236 12.6236 k = 0.1522 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7774 -47.7774 -19.8319 -19.8319 -19.6627 -19.6627 -19.6393 -19.6393 -4.9293 -4.9293 1.1014 1.1014 3.0746 3.0746 6.4443 6.4443 7.1283 7.1283 11.9320 11.9320 12.4438 12.4438 k = 0.1630 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7774 -47.7774 -19.8321 -19.8321 -19.6629 -19.6629 -19.6398 -19.6398 -4.8970 -4.8970 1.1322 1.1322 3.1109 3.1109 6.4850 6.4850 6.9250 6.9250 11.7404 11.7404 12.2626 12.2626 k = 0.1739 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7773 -47.7773 -19.8324 -19.8324 -19.6630 -19.6630 -19.6403 -19.6403 -4.8629 -4.8629 1.1645 1.1645 3.1493 3.1493 6.5285 6.5285 6.7222 6.7222 11.5488 11.5488 12.0805 12.0805 k = 0.1848 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7773 -47.7773 -19.8326 -19.8326 -19.6632 -19.6632 -19.6407 -19.6407 -4.8268 -4.8268 1.1982 1.1982 3.1897 3.1897 6.5208 6.5208 6.5745 6.5745 11.3583 11.3583 11.8980 11.8980 k = 0.1957 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7772 -47.7772 -19.8328 -19.8328 -19.6634 -19.6634 -19.6411 -19.6411 -4.7891 -4.7891 1.2333 1.2333 3.2319 3.2319 6.3216 6.3216 6.6232 6.6232 11.1694 11.1694 11.7158 11.7158 k = 0.2065 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7771 -47.7771 -19.8331 -19.8331 -19.6637 -19.6637 -19.6416 -19.6416 -4.7496 -4.7496 1.2695 1.2695 3.2757 3.2757 6.1253 6.1253 6.6743 6.6743 10.9828 10.9828 11.5342 11.5342 k = 0.2174 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7771 -47.7771 -19.8333 -19.8333 -19.6640 -19.6640 -19.6420 -19.6420 -4.7086 -4.7086 1.3067 1.3067 3.3210 3.3210 5.9327 5.9327 6.7279 6.7279 10.7988 10.7988 11.3538 11.3538 k = 0.2283 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7770 -47.7770 -19.8336 -19.8336 -19.6643 -19.6643 -19.6424 -19.6424 -4.6662 -4.6662 1.3446 1.3446 3.3673 3.3673 5.7444 5.7444 6.7840 6.7840 10.6179 10.6179 11.1751 11.1751 k = 0.2391 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7770 -47.7770 -19.8339 -19.8339 -19.6646 -19.6646 -19.6428 -19.6428 -4.6224 -4.6224 1.3831 1.3831 3.4145 3.4145 5.5614 5.5614 6.8424 6.8424 10.4404 10.4404 10.9983 10.9983 k = 0.2500 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7769 -47.7769 -19.8342 -19.8342 -19.6650 -19.6650 -19.6431 -19.6431 -4.5774 -4.5774 1.4218 1.4218 3.4620 3.4620 5.3845 5.3845 6.9030 6.9030 10.2664 10.2664 10.8239 10.8239 k = 0.2609 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7768 -47.7768 -19.8345 -19.8345 -19.6654 -19.6654 -19.6434 -19.6434 -4.5313 -4.5313 1.4604 1.4604 3.5091 3.5091 5.2148 5.2148 6.9659 6.9659 10.0964 10.0964 10.6522 10.6522 k = 0.2717 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7768 -47.7768 -19.8349 -19.8349 -19.6658 -19.6658 -19.6437 -19.6437 -4.4843 -4.4843 1.4987 1.4987 3.5550 3.5550 5.0535 5.0535 7.0309 7.0309 9.9305 9.9305 10.4835 10.4835 k = 0.2826 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7767 -47.7767 -19.8352 -19.8352 -19.6663 -19.6663 -19.6440 -19.6440 -4.4367 -4.4367 1.5363 1.5363 3.5983 3.5983 4.9022 4.9022 7.0978 7.0978 9.7690 9.7690 10.3181 10.3181 k = 0.2935 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7767 -47.7767 -19.8355 -19.8355 -19.6667 -19.6667 -19.6442 -19.6442 -4.3885 -4.3885 1.5728 1.5728 3.6372 3.6372 4.7635 4.7635 7.1667 7.1667 9.6121 9.6121 10.1562 10.1562 k = 0.3043 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7766 -47.7766 -19.8358 -19.8358 -19.6671 -19.6671 -19.6444 -19.6444 -4.3400 -4.3400 1.6076 1.6076 3.6689 3.6689 4.6402 4.6402 7.2372 7.2372 9.4602 9.4602 9.9983 9.9983 k = 0.3152 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7766 -47.7766 -19.8361 -19.8361 -19.6676 -19.6676 -19.6445 -19.6445 -4.2914 -4.2914 1.6405 1.6405 3.6895 3.6895 4.5368 4.5368 7.3093 7.3093 9.3135 9.3135 9.8445 9.8445 k = 0.3261 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7765 -47.7765 -19.8364 -19.8364 -19.6680 -19.6680 -19.6447 -19.6447 -4.2430 -4.2430 1.6707 1.6707 3.6945 3.6945 4.4581 4.4581 7.3828 7.3828 9.1723 9.1723 9.6953 9.6953 k = 0.3370 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7764 -47.7764 -19.8367 -19.8367 -19.6685 -19.6685 -19.6448 -19.6448 -4.1950 -4.1950 1.6979 1.6979 3.6805 3.6805 4.4078 4.4078 7.4574 7.4574 9.0369 9.0369 9.5509 9.5509 k = 0.3478 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7764 -47.7764 -19.8370 -19.8370 -19.6689 -19.6689 -19.6449 -19.6449 -4.1478 -4.1478 1.7214 1.7214 3.6476 3.6476 4.3861 4.3861 7.5329 7.5329 8.9076 8.9076 9.4118 9.4118 k = 0.3587 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7763 -47.7763 -19.8373 -19.8373 -19.6693 -19.6693 -19.6450 -19.6450 -4.1016 -4.1016 1.7408 1.7408 3.6007 3.6007 4.3883 4.3883 7.6089 7.6089 8.7848 8.7848 9.2784 9.2784 k = 0.3696 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7763 -47.7763 -19.8375 -19.8375 -19.6697 -19.6697 -19.6450 -19.6450 -4.0568 -4.0568 1.7558 1.7558 3.5463 3.5463 4.4078 4.4078 7.6850 7.6850 8.6688 8.6688 9.1512 9.1512 k = 0.3804 0.5000 0.3604 ( 3596 PWs) bands (ev): -47.7762 -47.7762 -19.8378 -19.8378 -19.6701 -19.6701 -19.6451 -19.6451 -4.0137 -4.0137 1.7661 1.7661 3.4906 3.4906 4.4384 4.4384 7.7608 7.7608 8.5600 8.5600 9.0306 9.0306 k = 0.3913 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7762 -47.7762 -19.8380 -19.8380 -19.6705 -19.6705 -19.6451 -19.6451 -3.9726 -3.9726 1.7717 1.7717 3.4375 3.4375 4.4756 4.4756 7.8356 7.8356 8.4588 8.4588 8.9172 8.9172 k = 0.4022 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7762 -47.7762 -19.8382 -19.8382 -19.6708 -19.6708 -19.6452 -19.6452 -3.9340 -3.9340 1.7728 1.7728 3.3897 3.3897 4.5160 4.5160 7.9086 7.9086 8.3657 8.3657 8.8117 8.8117 k = 0.4130 0.5000 0.3604 ( 3588 PWs) bands (ev): -47.7761 -47.7761 -19.8384 -19.8384 -19.6711 -19.6711 -19.6451 -19.6451 -3.8982 -3.8982 1.7699 1.7699 3.3485 3.3485 4.5572 4.5572 7.9789 7.9789 8.2814 8.2814 8.7147 8.7147 k = 0.4239 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7761 -47.7761 -19.8385 -19.8385 -19.6713 -19.6713 -19.6452 -19.6452 -3.8656 -3.8656 1.7638 1.7638 3.3141 3.3141 4.5974 4.5974 8.0444 8.0444 8.2070 8.2070 8.6268 8.6268 k = 0.4348 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7761 -47.7761 -19.8387 -19.8387 -19.6715 -19.6715 -19.6452 -19.6452 -3.8364 -3.8364 1.7554 1.7554 3.2864 3.2864 4.6352 4.6352 8.0949 8.0949 8.1523 8.1523 8.5489 8.5489 k = 0.4457 0.5000 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8389 -19.8389 -19.6718 -19.6718 -19.6452 -19.6452 -3.8111 -3.8111 1.7459 1.7459 3.2649 3.2649 4.6694 4.6694 8.0708 8.0708 8.1757 8.1757 8.4817 8.4817 k = 0.4565 0.5000 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8390 -19.8390 -19.6720 -19.6720 -19.6452 -19.6452 -3.7900 -3.7900 1.7363 1.7363 3.2488 3.2488 4.6989 4.6989 8.0264 8.0264 8.2215 8.2215 8.4262 8.4262 k = 0.4674 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7760 -47.7760 -19.8390 -19.8390 -19.6721 -19.6721 -19.6452 -19.6452 -3.7732 -3.7732 1.7277 1.7277 3.2372 3.2372 4.7228 4.7228 7.9898 7.9898 8.2598 8.2598 8.3834 8.3834 k = 0.4783 0.5000 0.3604 ( 3580 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7611 -3.7611 1.7208 1.7208 3.2295 3.2295 4.7404 4.7404 7.9632 7.9632 8.2857 8.2857 8.3555 8.3555 k = 0.4891 0.5000 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6722 -19.6722 -19.6452 -19.6452 -3.7538 -3.7538 1.7164 1.7164 3.2251 3.2251 4.7512 4.7512 7.9471 7.9471 8.2959 8.2959 8.3447 8.3447 k = 0.5000 0.5000 0.3604 ( 3576 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7513 -3.7513 1.7149 1.7149 3.2237 3.2237 4.7549 4.7549 7.9417 7.9417 8.2967 8.2967 8.3437 8.3437 k = 0.5000 0.5000 0.3604 ( 3576 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7513 -3.7513 1.7149 1.7149 3.2237 3.2237 4.7549 4.7549 7.9417 7.9417 8.2967 8.2967 8.3437 8.3437 k = 0.4923 0.4923 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6722 -19.6722 -19.6452 -19.6452 -3.7538 -3.7538 1.7165 1.7165 3.2251 3.2251 4.7512 4.7512 7.9471 7.9471 8.2967 8.2967 8.3438 8.3438 k = 0.4846 0.4846 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7612 -3.7612 1.7210 1.7210 3.2294 3.2294 4.7403 4.7403 7.9633 7.9633 8.2965 8.2965 8.3447 8.3447 k = 0.4769 0.4769 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6721 -19.6721 -19.6452 -19.6452 -3.7734 -3.7734 1.7285 1.7285 3.2364 3.2364 4.7222 4.7222 7.9900 7.9900 8.2955 8.2955 8.3473 8.3473 k = 0.4692 0.4692 0.3604 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8390 -19.8390 -19.6719 -19.6719 -19.6452 -19.6452 -3.7904 -3.7904 1.7391 1.7391 3.2464 3.2464 4.6973 4.6973 8.0270 8.0270 8.2936 8.2936 8.3529 8.3529 k = 0.4615 0.4615 0.3604 ( 3580 PWs) bands (ev): -47.7760 -47.7760 -19.8388 -19.8388 -19.6717 -19.6717 -19.6452 -19.6452 -3.8121 -3.8121 1.7524 1.7524 3.2592 3.2592 4.6656 4.6656 8.0735 8.0735 8.2916 8.2916 8.3620 8.3620 k = 0.4538 0.4538 0.3604 ( 3580 PWs) bands (ev): -47.7761 -47.7761 -19.8387 -19.8387 -19.6715 -19.6715 -19.6452 -19.6452 -3.8382 -3.8382 1.7687 1.7687 3.2749 3.2749 4.6276 4.6276 8.1278 8.1278 8.2918 8.2918 8.3749 8.3749 k = 0.4462 0.4462 0.3604 ( 3584 PWs) bands (ev): -47.7761 -47.7761 -19.8385 -19.8385 -19.6713 -19.6713 -19.6452 -19.6452 -3.8687 -3.8687 1.7876 1.7876 3.2935 3.2935 4.5837 4.5837 8.1849 8.1849 8.2995 8.2995 8.3917 8.3917 k = 0.4385 0.4385 0.3604 ( 3584 PWs) bands (ev): -47.7761 -47.7761 -19.8383 -19.8383 -19.6710 -19.6710 -19.6452 -19.6452 -3.9034 -3.9034 1.8091 1.8091 3.3151 3.3151 4.5344 4.5344 8.2296 8.2296 8.3288 8.3288 8.4142 8.4142 k = 0.4308 0.4308 0.3604 ( 3584 PWs) bands (ev): -47.7762 -47.7762 -19.8381 -19.8381 -19.6707 -19.6707 -19.6452 -19.6452 -3.9420 -3.9420 1.8331 1.8331 3.3397 3.3397 4.4802 4.4802 8.2510 8.2510 8.3831 8.3831 8.4503 8.4503 k = 0.4231 0.4231 0.3604 ( 3586 PWs) bands (ev): -47.7762 -47.7762 -19.8379 -19.8379 -19.6703 -19.6703 -19.6451 -19.6451 -3.9843 -3.9843 1.8594 1.8594 3.3673 3.3673 4.4217 4.4217 8.2628 8.2628 8.4289 8.4289 8.5201 8.5201 k = 0.4154 0.4154 0.3604 ( 3584 PWs) bands (ev): -47.7762 -47.7762 -19.8376 -19.8376 -19.6699 -19.6699 -19.6451 -19.6451 -4.0301 -4.0301 1.8878 1.8878 3.3980 3.3980 4.3595 4.3595 8.2743 8.2743 8.4618 8.4618 8.6188 8.6188 k = 0.4077 0.4077 0.3604 ( 3584 PWs) bands (ev): -47.7763 -47.7763 -19.8373 -19.8373 -19.6695 -19.6695 -19.6451 -19.6451 -4.0791 -4.0791 1.9180 1.9180 3.4317 3.4317 4.2942 4.2942 8.2882 8.2882 8.4929 8.4929 8.7326 8.7326 k = 0.4000 0.4000 0.3604 ( 3588 PWs) bands (ev): -47.7763 -47.7763 -19.8371 -19.8371 -19.6690 -19.6690 -19.6451 -19.6451 -4.1310 -4.1310 1.9499 1.9499 3.4686 3.4686 4.2267 4.2267 8.3057 8.3057 8.5250 8.5250 8.8574 8.8574 k = 0.3923 0.3923 0.3604 ( 3596 PWs) bands (ev): -47.7764 -47.7764 -19.8368 -19.8368 -19.6686 -19.6686 -19.6451 -19.6451 -4.1856 -4.1856 1.9830 1.9830 3.5084 3.5084 4.1577 4.1577 8.3273 8.3273 8.5591 8.5591 8.9916 8.9916 k = 0.3846 0.3846 0.3604 ( 3594 PWs) bands (ev): -47.7765 -47.7765 -19.8364 -19.8364 -19.6680 -19.6680 -19.6451 -19.6451 -4.2427 -4.2427 2.0170 2.0170 3.5513 3.5513 4.0881 4.0881 8.3533 8.3533 8.5955 8.5955 9.1345 9.1345 k = 0.3769 0.3769 0.3604 ( 3594 PWs) bands (ev): -47.7765 -47.7765 -19.8360 -19.8360 -19.6674 -19.6674 -19.6451 -19.6451 -4.3019 -4.3019 2.0514 2.0514 3.5970 3.5970 4.0189 4.0189 8.3837 8.3837 8.6341 8.6341 9.2856 9.2856 k = 0.3692 0.3692 0.3604 ( 3594 PWs) bands (ev): -47.7766 -47.7766 -19.8356 -19.8356 -19.6668 -19.6668 -19.6451 -19.6451 -4.3631 -4.3631 2.0856 2.0856 3.6451 3.6451 3.9517 3.9517 8.4185 8.4185 8.6752 8.6752 9.4444 9.4444 k = 0.3615 0.3615 0.3604 ( 3598 PWs) bands (ev): -47.7767 -47.7767 -19.8353 -19.8353 -19.6662 -19.6662 -19.6451 -19.6451 -4.4260 -4.4260 2.1190 2.1190 3.6939 3.6939 3.8890 3.8890 8.4577 8.4577 8.7187 8.7187 9.6106 9.6106 k = 0.3538 0.3538 0.3604 ( 3602 PWs) bands (ev): -47.7767 -47.7767 -19.8348 -19.8348 -19.6656 -19.6656 -19.6451 -19.6451 -4.4902 -4.4902 2.1506 2.1506 3.7347 3.7347 3.8409 3.8409 8.5014 8.5014 8.7647 8.7647 9.7838 9.7838 k = 0.3462 0.3462 0.3604 ( 3606 PWs) bands (ev): -47.7768 -47.7768 -19.8344 -19.8344 -19.6649 -19.6649 -19.6451 -19.6451 -4.5557 -4.5557 2.1795 2.1795 3.7299 3.7299 3.8463 3.8463 8.5493 8.5493 8.8132 8.8132 9.9636 9.9636 k = 0.3385 0.3385 0.3604 ( 3604 PWs) bands (ev): -47.7769 -47.7769 -19.8340 -19.8340 -19.6642 -19.6642 -19.6450 -19.6450 -4.6221 -4.6221 2.2045 2.2045 3.6888 3.6888 3.8972 3.8972 8.6015 8.6015 8.8641 8.8641 10.1498 10.1498 k = 0.3308 0.3308 0.3604 ( 3602 PWs) bands (ev): -47.7769 -47.7769 -19.8335 -19.8335 -19.6634 -19.6634 -19.6450 -19.6450 -4.6893 -4.6893 2.2241 2.2241 3.6468 3.6468 3.9600 3.9600 8.6578 8.6578 8.9176 8.9176 10.3419 10.3419 k = 0.3231 0.3231 0.3604 ( 3594 PWs) bands (ev): -47.7770 -47.7770 -19.8330 -19.8330 -19.6626 -19.6626 -19.6449 -19.6449 -4.7571 -4.7571 2.2371 2.2371 3.6120 3.6120 4.0283 4.0283 8.7182 8.7182 8.9735 8.9735 10.5396 10.5396 k = 0.3154 0.3154 0.3604 ( 3594 PWs) bands (ev): -47.7771 -47.7771 -19.8325 -19.8325 -19.6619 -19.6619 -19.6448 -19.6448 -4.8252 -4.8252 2.2421 2.2421 3.5871 3.5871 4.1007 4.1007 8.7824 8.7824 9.0320 9.0320 10.7426 10.7426 k = 0.3077 0.3077 0.3604 ( 3586 PWs) bands (ev): -47.7772 -47.7772 -19.8320 -19.8320 -19.6610 -19.6610 -19.6448 -19.6448 -4.8934 -4.8934 2.2380 2.2380 3.5738 3.5738 4.1768 4.1768 8.8505 8.8505 9.0930 9.0930 10.9503 10.9503 k = 0.3000 0.3000 0.3604 ( 3590 PWs) bands (ev): -47.7773 -47.7773 -19.8315 -19.8315 -19.6602 -19.6602 -19.6447 -19.6447 -4.9617 -4.9617 2.2244 2.2244 3.5730 3.5730 4.2564 4.2564 8.9223 8.9223 9.1565 9.1565 11.1623 11.1623 k = 0.2923 0.2923 0.3604 ( 3594 PWs) bands (ev): -47.7773 -47.7773 -19.8310 -19.8310 -19.6594 -19.6594 -19.6447 -19.6447 -5.0297 -5.0297 2.2012 2.2012 3.5849 3.5849 4.3394 4.3394 8.9976 8.9976 9.2226 9.2226 11.3779 11.3779 k = 0.2846 0.2846 0.3604 ( 3594 PWs) bands (ev): -47.7774 -47.7774 -19.8305 -19.8305 -19.6586 -19.6586 -19.6447 -19.6447 -5.0974 -5.0974 2.1691 2.1691 3.6091 3.6091 4.4258 4.4258 9.0765 9.0765 9.2911 9.2911 11.5964 11.5964 k = 0.2769 0.2769 0.3604 ( 3598 PWs) bands (ev): -47.7775 -47.7775 -19.8300 -19.8300 -19.6577 -19.6577 -19.6446 -19.6446 -5.1647 -5.1647 2.1291 2.1291 3.6447 3.6447 4.5155 4.5155 9.1587 9.1587 9.3623 9.3623 11.8166 11.8166 k = 0.2692 0.2692 0.3604 ( 3602 PWs) bands (ev): -47.7776 -47.7776 -19.8295 -19.8295 -19.6569 -19.6569 -19.6446 -19.6446 -5.2313 -5.2313 2.0825 2.0825 3.6906 3.6906 4.6084 4.6084 9.2442 9.2442 9.4359 9.4359 12.0369 12.0369 k = 0.2615 0.2615 0.3604 ( 3606 PWs) bands (ev): -47.7777 -47.7777 -19.8289 -19.8289 -19.6560 -19.6560 -19.6445 -19.6445 -5.2971 -5.2971 2.0305 2.0305 3.7455 3.7455 4.7045 4.7045 9.3328 9.3328 9.5121 9.5121 12.2544 12.2544 k = 0.2538 0.2538 0.3604 ( 3606 PWs) bands (ev): -47.7778 -47.7778 -19.8284 -19.8284 -19.6551 -19.6551 -19.6445 -19.6445 -5.3621 -5.3621 1.9743 1.9743 3.8083 3.8083 4.8038 4.8038 9.4244 9.4244 9.5909 9.5909 12.4641 12.4641 k = 0.2462 0.2462 0.3604 ( 3596 PWs) bands (ev): -47.7779 -47.7779 -19.8278 -19.8278 -19.6542 -19.6542 -19.6443 -19.6443 -5.4260 -5.4260 1.9152 1.9152 3.8780 3.8780 4.9063 4.9063 9.5190 9.5190 9.6722 9.6722 12.6562 12.6562 k = 0.2385 0.2385 0.3604 ( 3596 PWs) bands (ev): -47.7780 -47.7780 -19.8273 -19.8273 -19.6533 -19.6533 -19.6443 -19.6443 -5.4889 -5.4889 1.8539 1.8539 3.9538 3.9538 5.0117 5.0117 9.6162 9.6162 9.7561 9.7561 12.8120 12.8120 k = 0.2308 0.2308 0.3604 ( 3606 PWs) bands (ev): -47.7781 -47.7781 -19.8268 -19.8268 -19.6525 -19.6525 -19.6442 -19.6442 -5.5505 -5.5505 1.7913 1.7913 4.0348 4.0348 5.1202 5.1202 9.7160 9.7160 9.8425 9.8425 12.9088 12.9088 k = 0.2231 0.2231 0.3604 ( 3610 PWs) bands (ev): -47.7782 -47.7782 -19.8263 -19.8263 -19.6516 -19.6516 -19.6442 -19.6442 -5.6108 -5.6108 1.7280 1.7280 4.1204 4.1204 5.2316 5.2316 9.8182 9.8182 9.9315 9.9315 12.9434 12.9434 k = 0.2154 0.2154 0.3604 ( 3614 PWs) bands (ev): -47.7783 -47.7783 -19.8258 -19.8258 -19.6507 -19.6507 -19.6441 -19.6441 -5.6698 -5.6698 1.6646 1.6646 4.2102 4.2102 5.3459 5.3459 9.9226 9.9226 10.0231 10.0231 12.9371 12.9371 k = 0.2077 0.2077 0.3604 ( 3614 PWs) bands (ev): -47.7783 -47.7783 -19.8253 -19.8253 -19.6499 -19.6499 -19.6440 -19.6440 -5.7272 -5.7272 1.6015 1.6015 4.3036 4.3036 5.4630 5.4630 10.0290 10.0290 10.1173 10.1173 12.9104 12.9104 k = 0.2000 0.2000 0.3604 ( 3614 PWs) bands (ev): -47.7784 -47.7784 -19.8248 -19.8248 -19.6490 -19.6490 -19.6439 -19.6439 -5.7831 -5.7831 1.5391 1.5391 4.4002 4.4002 5.5828 5.5828 10.1370 10.1370 10.2141 10.2141 12.8742 12.8742 k = 0.1923 0.1923 0.3604 ( 3614 PWs) bands (ev): -47.7785 -47.7785 -19.8244 -19.8244 -19.6481 -19.6481 -19.6438 -19.6438 -5.8374 -5.8374 1.4777 1.4777 4.4997 4.4997 5.7052 5.7052 10.2464 10.2464 10.3135 10.3135 12.8344 12.8344 k = 0.1846 0.1846 0.3604 ( 3618 PWs) bands (ev): -47.7786 -47.7786 -19.8239 -19.8239 -19.6473 -19.6473 -19.6438 -19.6438 -5.8900 -5.8900 1.4175 1.4175 4.6018 4.6018 5.8301 5.8301 10.3567 10.3567 10.4154 10.4154 12.7938 12.7938 k = 0.1769 0.1769 0.3604 ( 3616 PWs) bands (ev): -47.7787 -47.7787 -19.8234 -19.8234 -19.6465 -19.6465 -19.6436 -19.6436 -5.9409 -5.9409 1.3587 1.3587 4.7061 4.7061 5.9575 5.9575 10.4677 10.4677 10.5199 10.5199 12.7545 12.7545 k = 0.1692 0.1692 0.3604 ( 3612 PWs) bands (ev): -47.7787 -47.7787 -19.8229 -19.8229 -19.6457 -19.6457 -19.6435 -19.6435 -5.9899 -5.9899 1.3016 1.3016 4.8124 4.8124 6.0872 6.0872 10.5788 10.5788 10.6266 10.6266 12.7178 12.7178 k = 0.1615 0.1615 0.3604 ( 3608 PWs) bands (ev): -47.7788 -47.7788 -19.8225 -19.8225 -19.6449 -19.6449 -19.6434 -19.6434 -6.0371 -6.0371 1.2463 1.2463 4.9203 4.9203 6.2191 6.2191 10.6896 10.6896 10.7354 10.7354 12.6850 12.6850 k = 0.1538 0.1538 0.3604 ( 3604 PWs) bands (ev): -47.7789 -47.7789 -19.8220 -19.8220 -19.6441 -19.6441 -19.6433 -19.6433 -6.0823 -6.0823 1.1930 1.1930 5.0296 5.0296 6.3530 6.3530 10.7993 10.7993 10.8460 10.8460 12.6570 12.6570 k = 0.1462 0.1462 0.3604 ( 3600 PWs) bands (ev): -47.7790 -47.7790 -19.8216 -19.8216 -19.6436 -19.6436 -19.6429 -19.6429 -6.1257 -6.1257 1.1417 1.1417 5.1398 5.1398 6.4887 6.4887 10.9068 10.9068 10.9585 10.9585 12.6350 12.6350 k = 0.1385 0.1385 0.3604 ( 3596 PWs) bands (ev): -47.7790 -47.7790 -19.8212 -19.8212 -19.6433 -19.6433 -19.6424 -19.6424 -6.1670 -6.1670 1.0926 1.0926 5.2506 5.2506 6.6262 6.6262 11.0103 11.0103 11.0730 11.0730 12.6200 12.6200 k = 0.1308 0.1308 0.3604 ( 3592 PWs) bands (ev): -47.7791 -47.7791 -19.8208 -19.8208 -19.6431 -19.6431 -19.6417 -19.6417 -6.2063 -6.2063 1.0457 1.0457 5.3617 5.3617 6.7650 6.7650 11.1076 11.1076 11.1899 11.1899 12.6127 12.6127 k = 0.1231 0.1231 0.3604 ( 3592 PWs) bands (ev): -47.7791 -47.7791 -19.8204 -19.8204 -19.6430 -19.6430 -19.6411 -19.6411 -6.2435 -6.2435 1.0011 1.0011 5.4727 5.4727 6.9051 6.9051 11.1967 11.1967 11.3093 11.3093 12.6123 12.6123 k = 0.1154 0.1154 0.3604 ( 3592 PWs) bands (ev): -47.7792 -47.7792 -19.8201 -19.8201 -19.6429 -19.6429 -19.6404 -19.6404 -6.2786 -6.2786 0.9590 0.9590 5.5829 5.5829 7.0462 7.0462 11.2753 11.2753 11.4310 11.4310 12.6126 12.6126 k = 0.1077 0.1077 0.3604 ( 3590 PWs) bands (ev): -47.7793 -47.7793 -19.8198 -19.8198 -19.6429 -19.6429 -19.6398 -19.6398 -6.3115 -6.3115 0.9193 0.9193 5.6920 5.6920 7.1878 7.1878 11.3412 11.3412 11.5549 11.5549 12.5873 12.5873 k = 0.1000 0.1000 0.3604 ( 3594 PWs) bands (ev): -47.7793 -47.7793 -19.8195 -19.8195 -19.6428 -19.6428 -19.6393 -19.6393 -6.3423 -6.3423 0.8822 0.8822 5.7994 5.7994 7.3295 7.3295 11.3925 11.3925 11.6808 11.6808 12.5023 12.5023 k = 0.0923 0.0923 0.3604 ( 3586 PWs) bands (ev): -47.7794 -47.7794 -19.8192 -19.8192 -19.6427 -19.6427 -19.6387 -19.6387 -6.3709 -6.3709 0.8476 0.8476 5.9043 5.9043 7.4710 7.4710 11.4277 11.4277 11.8084 11.8084 12.3822 12.3822 k = 0.0846 0.0846 0.3604 ( 3582 PWs) bands (ev): -47.7794 -47.7794 -19.8189 -19.8189 -19.6426 -19.6426 -19.6382 -19.6382 -6.3974 -6.3974 0.8157 0.8157 6.0061 6.0061 7.6116 7.6116 11.4449 11.4449 11.9374 11.9374 12.2563 12.2563 k = 0.0769 0.0769 0.3604 ( 3582 PWs) bands (ev): -47.7794 -47.7794 -19.8187 -19.8187 -19.6425 -19.6425 -19.6377 -19.6377 -6.4215 -6.4215 0.7864 0.7864 6.1039 6.1039 7.7506 7.7506 11.4419 11.4419 12.0671 12.0671 12.1381 12.1381 k = 0.0692 0.0692 0.3604 ( 3574 PWs) bands (ev): -47.7795 -47.7795 -19.8184 -19.8184 -19.6424 -19.6424 -19.6373 -19.6373 -6.4435 -6.4435 0.7598 0.7598 6.1969 6.1969 7.8870 7.8870 11.4159 11.4159 12.0353 12.0353 12.1982 12.1982 k = 0.0615 0.0615 0.3604 ( 3586 PWs) bands (ev): -47.7795 -47.7795 -19.8183 -19.8183 -19.6424 -19.6424 -19.6369 -19.6369 -6.4631 -6.4631 0.7360 0.7360 6.2842 6.2842 8.0198 8.0198 11.3653 11.3653 11.9557 11.9557 12.3285 12.3285 k = 0.0538 0.0538 0.3604 ( 3578 PWs) bands (ev): -47.7796 -47.7796 -19.8180 -19.8180 -19.6423 -19.6423 -19.6365 -19.6365 -6.4805 -6.4805 0.7148 0.7148 6.3647 6.3647 8.1474 8.1474 11.2926 11.2926 11.8998 11.8998 12.4577 12.4577 k = 0.0462 0.0462 0.3604 ( 3594 PWs) bands (ev): -47.7796 -47.7796 -19.8180 -19.8180 -19.6424 -19.6424 -19.6363 -19.6363 -6.4956 -6.4956 0.6965 0.6965 6.4374 6.4374 8.2681 8.2681 11.2053 11.2053 11.8640 11.8640 12.5841 12.5841 k = 0.0385 0.0385 0.3604 ( 3586 PWs) bands (ev): -47.7796 -47.7796 -19.8178 -19.8178 -19.6423 -19.6423 -19.6361 -19.6361 -6.5084 -6.5084 0.6809 0.6809 6.5012 6.5012 8.3794 8.3794 11.1129 11.1129 11.8423 11.8423 12.7055 12.7055 k = 0.0308 0.0308 0.3604 ( 3590 PWs) bands (ev): -47.7796 -47.7796 -19.8177 -19.8177 -19.6423 -19.6423 -19.6359 -19.6359 -6.5188 -6.5188 0.6682 0.6682 6.5551 6.5551 8.4783 8.4783 11.0240 11.0240 11.8298 11.8298 12.8155 12.8155 k = 0.0231 0.0231 0.3604 ( 3582 PWs) bands (ev): -47.7796 -47.7796 -19.8176 -19.8176 -19.6422 -19.6422 -19.6357 -19.6357 -6.5270 -6.5270 0.6583 0.6583 6.5982 6.5982 8.5615 8.5615 10.9461 10.9461 11.8230 11.8230 12.8085 12.8085 k = 0.0154 0.0154 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6356 -19.6356 -6.5328 -6.5328 0.6512 0.6512 6.6296 6.6296 8.6249 8.6249 10.8851 10.8851 11.8197 11.8197 12.7576 12.7576 k = 0.0077 0.0077 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5363 -6.5363 0.6469 0.6469 6.6487 6.6487 8.6649 8.6649 10.8462 10.8462 11.8183 11.8183 12.7258 12.7258 k = 0.0000 0.0000 0.3604 ( 3584 PWs) bands (ev): -47.7797 -47.7797 -19.8175 -19.8175 -19.6422 -19.6422 -19.6355 -19.6355 -6.5375 -6.5375 0.6455 0.6455 6.6551 6.6551 8.6785 8.6785 10.8328 10.8328 11.8180 11.8180 12.7150 12.7150 k = 0.0000 0.5000-0.0000 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6345 -19.6345 -5.2874 -5.2874 0.5409 0.5409 4.5311 4.5311 7.9558 7.9558 8.9321 8.9321 9.6213 9.6213 9.8238 9.8238 k = 0.0000 0.5000 0.0109 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2871 -5.2871 0.5416 0.5416 4.5241 4.5241 7.9650 7.9650 8.9261 8.9261 9.5403 9.5403 9.9161 9.9161 k = 0.0000 0.5000 0.0218 ( 3588 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2862 -5.2862 0.5438 0.5438 4.5036 4.5036 7.9920 7.9920 8.9052 8.9052 9.4194 9.4194 10.0743 10.0743 k = 0.0000 0.5000 0.0328 ( 3582 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6345 -19.6345 -5.2848 -5.2848 0.5473 0.5473 4.4703 4.4703 8.0354 8.0354 8.8613 8.8613 9.3185 9.3185 10.2470 10.2470 k = 0.0000 0.5000 0.0437 ( 3586 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6617 -19.6617 -19.6346 -19.6346 -5.2828 -5.2828 0.5523 0.5523 4.4254 4.4254 8.0922 8.0922 8.7872 8.7872 9.2538 9.2538 10.4269 10.4269 k = 0.0000 0.5000 0.0546 ( 3594 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6618 -19.6618 -19.6346 -19.6346 -5.2803 -5.2803 0.5586 0.5586 4.3705 4.3705 8.1577 8.1577 8.6882 8.6882 9.2257 9.2257 10.6118 10.6118 k = 0.0000 0.5000 0.0655 ( 3602 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6347 -19.6347 -5.2773 -5.2773 0.5662 0.5662 4.3071 4.3071 8.2207 8.2207 8.5832 8.5832 9.2256 9.2256 10.8009 10.8009 k = 0.0000 0.5000 0.0765 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6347 -19.6347 -5.2738 -5.2738 0.5751 0.5751 4.2370 4.2370 8.2472 8.2472 8.5119 8.5119 9.2464 9.2464 10.9934 10.9934 k = 0.0000 0.5000 0.0874 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6347 -19.6347 -5.2698 -5.2698 0.5852 0.5852 4.1616 4.1616 8.1879 8.1879 8.5250 8.5250 9.2859 9.2859 11.1891 11.1891 k = 0.0000 0.5000 0.0983 ( 3586 PWs) bands (ev): -47.7778 -47.7778 -19.8302 -19.8302 -19.6618 -19.6618 -19.6347 -19.6347 -5.2653 -5.2653 0.5964 0.5964 4.0825 4.0825 8.0756 8.0756 8.5876 8.5876 9.3448 9.3448 11.3877 11.3877 k = 0.0000 0.5000 0.1092 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6347 -19.6347 -5.2605 -5.2605 0.6086 0.6086 4.0008 4.0008 7.9489 7.9489 8.6583 8.6583 9.4247 9.4247 11.5889 11.5889 k = 0.0000 0.5000 0.1201 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6348 -19.6348 -5.2553 -5.2553 0.6218 0.6218 3.9178 3.9178 7.8193 7.8193 8.7237 8.7237 9.5269 9.5269 11.7925 11.7925 k = 0.0000 0.5000 0.1311 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6348 -19.6348 -5.2498 -5.2498 0.6358 0.6358 3.8344 3.8344 7.6903 7.6903 8.7798 8.7798 9.6504 9.6504 11.9985 11.9985 k = 0.0000 0.5000 0.1420 ( 3594 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6349 -19.6349 -5.2440 -5.2440 0.6506 0.6506 3.7515 3.7515 7.5638 7.5638 8.8266 8.8266 9.7930 9.7930 12.2066 12.2066 k = 0.0000 0.5000 0.1529 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6349 -19.6349 -5.2380 -5.2380 0.6659 0.6659 3.6697 3.6697 7.4405 7.4405 8.8655 8.8655 9.9516 9.9516 12.4165 12.4165 k = 0.0000 0.5000 0.1638 ( 3590 PWs) bands (ev): -47.7778 -47.7778 -19.8303 -19.8303 -19.6618 -19.6618 -19.6349 -19.6349 -5.2319 -5.2319 0.6817 0.6817 3.5897 3.5897 7.3211 7.3211 8.8983 8.8983 10.1231 10.1231 12.6281 12.6281 k = 0.0000 0.5000 0.1747 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6350 -19.6350 -5.2256 -5.2256 0.6979 0.6979 3.5121 3.5121 7.2060 7.2060 8.9264 8.9264 10.3052 10.3052 12.8411 12.8411 k = 0.0000 0.5000 0.1857 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6350 -19.6350 -5.2193 -5.2193 0.7142 0.7142 3.4373 3.4373 7.0955 7.0955 8.9512 8.9512 10.4957 10.4957 13.0551 13.0551 k = 0.0000 0.5000 0.1966 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6350 -19.6350 -5.2129 -5.2129 0.7305 0.7305 3.3658 3.3658 6.9900 6.9900 8.9733 8.9733 10.6931 10.6931 13.2695 13.2695 k = 0.0000 0.5000 0.2075 ( 3596 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6351 -19.6351 -5.2066 -5.2066 0.7468 0.7468 3.2978 3.2978 6.8896 6.8896 8.9933 8.9933 10.8959 10.8959 13.4833 13.4833 k = 0.0000 0.5000 0.2184 ( 3594 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6619 -19.6619 -19.6351 -19.6351 -5.2005 -5.2005 0.7627 0.7627 3.2337 3.2337 6.7948 6.7948 9.0115 9.0115 11.1031 11.1031 13.6946 13.6946 k = 0.0000 0.5000 0.2294 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8304 -19.8304 -19.6620 -19.6620 -19.6352 -19.6352 -5.1945 -5.1945 0.7782 0.7782 3.1736 3.1736 6.7056 6.7056 9.0283 9.0283 11.3136 11.3136 13.8997 13.8997 k = 0.0000 0.5000 0.2403 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6352 -19.6352 -5.1887 -5.1887 0.7931 0.7931 3.1180 3.1180 6.6225 6.6225 9.0437 9.0437 11.5265 11.5265 14.0883 14.0883 k = 0.0000 0.5000 0.2512 ( 3598 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6353 -19.6353 -5.1832 -5.1832 0.8073 0.8073 3.0668 3.0668 6.5456 6.5456 9.0578 9.0578 11.7407 11.7407 14.2298 14.2298 k = 0.0000 0.5000 0.2621 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6353 -19.6353 -5.1781 -5.1781 0.8205 0.8205 3.0202 3.0202 6.4752 6.4752 9.0706 9.0706 11.9551 11.9551 14.2923 14.2923 k = 0.0000 0.5000 0.2730 ( 3602 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6353 -19.6353 -5.1733 -5.1733 0.8327 0.8327 2.9784 2.9784 6.4115 6.4115 9.0822 9.0822 12.1687 12.1687 14.3090 14.3090 k = 0.0000 0.5000 0.2840 ( 3602 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1690 -5.1690 0.8438 0.8438 2.9414 2.9414 6.3546 6.3546 9.0926 9.0926 12.3801 12.3801 14.3043 14.3043 k = 0.0000 0.5000 0.2949 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1652 -5.1652 0.8537 0.8537 2.9093 2.9093 6.3049 6.3049 9.1017 9.1017 12.5877 12.5877 14.2828 14.2828 k = 0.0000 0.5000 0.3058 ( 3596 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1619 -5.1619 0.8621 0.8621 2.8821 2.8821 6.2625 6.2625 9.1094 9.1094 12.7896 12.7896 14.2447 14.2447 k = 0.0000 0.5000 0.3167 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1591 -5.1591 0.8692 0.8692 2.8598 2.8598 6.2276 6.2276 9.1158 9.1158 12.9832 12.9832 14.1898 14.1898 k = 0.0000 0.5000 0.3277 ( 3596 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1569 -5.1569 0.8747 0.8747 2.8425 2.8425 6.2003 6.2003 9.1208 9.1208 13.1650 13.1650 14.1190 14.1190 k = 0.0000 0.5000 0.3386 ( 3596 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1553 -5.1553 0.8787 0.8787 2.8301 2.8301 6.1807 6.1807 9.1245 9.1245 13.3283 13.3283 14.0364 14.0364 k = 0.0000 0.5000 0.3495 ( 3592 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6620 -19.6620 -19.6354 -19.6354 -5.1544 -5.1544 0.8811 0.8811 2.8227 2.8227 6.1689 6.1689 9.1266 9.1266 13.4580 13.4580 13.9558 13.9558 k = 0.0000 0.5000 0.3604 ( 3600 PWs) bands (ev): -47.7778 -47.7778 -19.8305 -19.8305 -19.6621 -19.6621 -19.6354 -19.6354 -5.1541 -5.1541 0.8819 0.8819 2.8202 2.8202 6.1649 6.1649 9.1274 9.1274 13.5140 13.5140 13.9163 13.9163 k = 0.5000 0.5000-0.0000 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8926 -3.8926 1.5801 1.5801 2.9112 2.9112 6.4716 6.4716 7.2433 7.2433 10.5411 10.5411 11.1939 11.1939 k = 0.5000 0.5000 0.0109 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8923 -3.8923 1.5804 1.5804 2.9119 2.9119 6.4650 6.4650 7.2444 7.2444 10.5519 10.5519 11.1353 11.1353 k = 0.5000 0.5000 0.0218 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8914 -3.8914 1.5814 1.5814 2.9137 2.9137 6.4454 6.4454 7.2479 7.2479 10.5839 10.5839 11.0118 11.0118 k = 0.5000 0.5000 0.0328 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8899 -3.8899 1.5829 1.5829 2.9168 2.9168 6.4135 6.4135 7.2536 7.2536 10.6353 10.6353 10.8713 10.8713 k = 0.5000 0.5000 0.0437 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8878 -3.8878 1.5851 1.5851 2.9211 2.9211 6.3703 6.3703 7.2616 7.2616 10.6821 10.6821 10.7510 10.7510 k = 0.5000 0.5000 0.0546 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8852 -3.8852 1.5879 1.5879 2.9266 2.9266 6.3173 6.3173 7.2719 7.2719 10.5673 10.5673 10.7507 10.7507 k = 0.5000 0.5000 0.0655 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8819 -3.8819 1.5912 1.5912 2.9333 2.9333 6.2558 6.2558 7.2844 7.2844 10.4251 10.4251 10.5990 10.5990 k = 0.5000 0.5000 0.0765 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8782 -3.8782 1.5951 1.5951 2.9410 2.9410 6.1874 6.1874 7.2991 7.2991 10.2841 10.2841 10.4508 10.4508 k = 0.5000 0.5000 0.0874 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6727 -19.6727 -19.6444 -19.6444 -3.8740 -3.8740 1.5995 1.5995 2.9498 2.9498 6.1135 6.1135 7.3159 7.3159 10.1461 10.1461 10.3063 10.3063 k = 0.5000 0.5000 0.0983 ( 3544 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6444 -19.6444 -3.8693 -3.8693 1.6043 1.6043 2.9596 2.9596 6.0356 6.0356 7.3347 7.3347 10.0117 10.0117 10.1657 10.1657 k = 0.5000 0.5000 0.1092 ( 3548 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6445 -19.6445 -3.8641 -3.8641 1.6095 1.6095 2.9704 2.9704 5.9548 5.9548 7.3556 7.3556 9.8812 9.8812 10.0292 10.0292 k = 0.5000 0.5000 0.1201 ( 3548 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6445 -19.6445 -3.8586 -3.8586 1.6151 1.6151 2.9820 2.9820 5.8723 5.8723 7.3783 7.3783 9.7549 9.7549 9.8968 9.8968 k = 0.5000 0.5000 0.1311 ( 3548 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6445 -19.6445 -3.8528 -3.8528 1.6210 1.6210 2.9944 2.9944 5.7892 5.7892 7.4029 7.4029 9.6329 9.6329 9.7687 9.7687 k = 0.5000 0.5000 0.1420 ( 3568 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6446 -19.6446 -3.8467 -3.8467 1.6271 1.6271 3.0075 3.0075 5.7062 5.7062 7.4292 7.4292 9.5153 9.5153 9.6452 9.6452 k = 0.5000 0.5000 0.1529 ( 3560 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6726 -19.6726 -19.6446 -19.6446 -3.8403 -3.8403 1.6334 1.6334 3.0211 3.0211 5.6241 5.6241 7.4571 7.4571 9.4024 9.4024 9.5262 9.5262 k = 0.5000 0.5000 0.1638 ( 3580 PWs) bands (ev): -47.7760 -47.7760 -19.8393 -19.8393 -19.6726 -19.6726 -19.6448 -19.6448 -3.8338 -3.8338 1.6398 1.6398 3.0353 3.0353 5.5436 5.5436 7.4864 7.4864 9.2942 9.2942 9.4120 9.4120 k = 0.5000 0.5000 0.1747 ( 3580 PWs) bands (ev): -47.7760 -47.7760 -19.8393 -19.8393 -19.6726 -19.6726 -19.6448 -19.6448 -3.8272 -3.8272 1.6463 1.6463 3.0498 3.0498 5.4653 5.4653 7.5170 7.5170 9.1909 9.1909 9.3027 9.3027 k = 0.5000 0.5000 0.1857 ( 3592 PWs) bands (ev): -47.7760 -47.7760 -19.8393 -19.8393 -19.6726 -19.6726 -19.6449 -19.6449 -3.8204 -3.8204 1.6528 1.6528 3.0646 3.0646 5.3896 5.3896 7.5487 7.5487 9.0926 9.0926 9.1984 9.1984 k = 0.5000 0.5000 0.1966 ( 3592 PWs) bands (ev): -47.7760 -47.7760 -19.8393 -19.8393 -19.6726 -19.6726 -19.6450 -19.6450 -3.8137 -3.8137 1.6592 1.6592 3.0794 3.0794 5.3170 5.3170 7.5812 7.5812 8.9995 8.9995 9.0994 9.0994 k = 0.5000 0.5000 0.2075 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8393 -19.8393 -19.6725 -19.6725 -19.6449 -19.6449 -3.8071 -3.8071 1.6655 1.6655 3.0943 3.0943 5.2479 5.2479 7.6144 7.6144 8.9116 8.9116 9.0057 9.0057 k = 0.5000 0.5000 0.2184 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6725 -19.6725 -19.6449 -19.6449 -3.8005 -3.8005 1.6716 1.6716 3.1090 3.1090 5.1825 5.1825 7.6480 7.6480 8.8291 8.8291 8.9175 8.9175 k = 0.5000 0.5000 0.2294 ( 3584 PWs) bands (ev): -47.7760 -47.7760 -19.8392 -19.8392 -19.6725 -19.6725 -19.6450 -19.6450 -3.7942 -3.7942 1.6775 1.6775 3.1234 3.1234 5.1211 5.1211 7.6816 7.6816 8.7522 8.7522 8.8350 8.8350 k = 0.5000 0.5000 0.2403 ( 3560 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6723 -19.6723 -19.6449 -19.6449 -3.7880 -3.7880 1.6830 1.6830 3.1374 3.1374 5.0640 5.0640 7.7150 7.7150 8.6809 8.6809 8.7584 8.7584 k = 0.5000 0.5000 0.2512 ( 3552 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6723 -19.6723 -19.6449 -19.6449 -3.7822 -3.7822 1.6883 1.6883 3.1508 3.1508 5.0113 5.0113 7.7477 7.7477 8.6153 8.6153 8.6879 8.6879 k = 0.5000 0.5000 0.2621 ( 3552 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6449 -19.6449 -3.7768 -3.7768 1.6931 1.6931 3.1634 3.1634 4.9633 4.9633 7.7794 7.7794 8.5556 8.5556 8.6235 8.6235 k = 0.5000 0.5000 0.2730 ( 3552 PWs) bands (ev): -47.7759 -47.7759 -19.8391 -19.8391 -19.6722 -19.6722 -19.6450 -19.6450 -3.7717 -3.7717 1.6975 1.6975 3.1752 3.1752 4.9200 4.9200 7.8095 7.8095 8.5019 8.5019 8.5654 8.5654 k = 0.5000 0.5000 0.2840 ( 3564 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6451 -19.6451 -3.7672 -3.7672 1.7015 1.7015 3.1860 3.1860 4.8816 4.8816 7.8377 7.8377 8.4542 8.4542 8.5139 8.5139 k = 0.5000 0.5000 0.2949 ( 3564 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6451 -19.6451 -3.7631 -3.7631 1.7050 1.7050 3.1956 3.1956 4.8482 4.8482 7.8634 7.8634 8.4127 8.4127 8.4690 8.4690 k = 0.5000 0.5000 0.3058 ( 3556 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6721 -19.6721 -19.6451 -19.6451 -3.7596 -3.7596 1.7080 1.7080 3.2039 3.2039 4.8198 4.8198 7.8862 7.8862 8.3774 8.3774 8.4308 8.4308 k = 0.5000 0.5000 0.3167 ( 3564 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6721 -19.6721 -19.6452 -19.6452 -3.7566 -3.7566 1.7105 1.7105 3.2109 3.2109 4.7965 4.7965 7.9056 7.9056 8.3485 8.3485 8.3995 8.3995 k = 0.5000 0.5000 0.3277 ( 3568 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7543 -3.7543 1.7124 1.7124 3.2165 3.2165 4.7783 4.7783 7.9211 7.9211 8.3259 8.3259 8.3751 8.3751 k = 0.5000 0.5000 0.3386 ( 3568 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7527 -3.7527 1.7138 1.7138 3.2205 3.2205 4.7653 4.7653 7.9325 7.9325 8.3097 8.3097 8.3576 8.3576 k = 0.5000 0.5000 0.3495 ( 3568 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7517 -3.7517 1.7147 1.7147 3.2229 3.2229 4.7575 4.7575 7.9394 7.9394 8.3000 8.3000 8.3472 8.3472 k = 0.5000 0.5000 0.3604 ( 3576 PWs) bands (ev): -47.7760 -47.7760 -19.8391 -19.8391 -19.6722 -19.6722 -19.6452 -19.6452 -3.7513 -3.7513 1.7149 1.7149 3.2237 3.2237 4.7549 4.7549 7.9417 7.9417 8.2967 8.2967 8.3437 8.3437 Writing output data file NaBi.save init_run : 0.15s CPU 0.48s WALL ( 1 calls) electrons : 101.65s CPU 103.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 101.65s CPU 103.32s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 422 calls) cegterg : 94.92s CPU 96.23s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 77.50s CPU 80.68s WALL ( 11629 calls) s_psi : 0.33s CPU 0.73s WALL ( 11629 calls) g_psi : 0.15s CPU 0.18s WALL ( 10508 calls) cdiaghg : 13.16s CPU 12.97s WALL ( 10930 calls) cegterg:over : 2.07s CPU 3.02s WALL ( 10508 calls) cegterg:upda : 1.03s CPU 1.38s WALL ( 10508 calls) cegterg:last : 0.59s CPU 1.03s WALL ( 1931 calls) Called by h_psi: h_psi:vloc : 76.67s CPU 77.92s WALL ( 11629 calls) h_psi:vnl : 0.80s CPU 2.66s WALL ( 11629 calls) add_vuspsi : 0.26s CPU 0.79s WALL ( 11629 calls) General routines calbec : 0.54s CPU 1.85s WALL ( 11629 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 76.35s CPU 75.69s WALL ( 507552 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.14s WALL ( 844 calls) Parallel routines fft_scatter : 73.93s CPU 56.89s WALL ( 507575 calls) PWSCF : 1m55.47s CPU 2m 1.69s WALL This run was terminated on: 14:28: 6 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=