Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 30 9 921 432 75 Max 50 31 10 926 445 78 Sum 1793 1101 349 33243 15753 2745 bravais-lattice index = 14 lattice parameter (alat) = 9.3016 a.u. unit-cell volume = 461.0615 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.301553 celldm(2)= 1.000000 celldm(3)= 0.572918 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 0.572918 ) 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 1.745450 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sr 10.00 87.62000 Sr( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 397 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0025189 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0025189 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0025189 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0025189 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0025189 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0025189 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0025189 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025189 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0025189 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0025189 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0025189 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0025189 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0025189 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0025189 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0025189 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025189 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0025189 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0025189 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0025189 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0025189 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0025189 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0025189 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0025189 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025189 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0025189 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0025189 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0025189 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0025189 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0025189 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0025189 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0025189 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 68) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0025189 k( 69) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0025189 k( 70) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0025189 k( 71) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0025189 k( 72) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0025189 k( 73) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0025189 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0025189 k( 75) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0025189 k( 76) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0025189 k( 77) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0025189 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0025189 k( 79) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0025189 k( 80) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0025189 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0025189 k( 82) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0025189 k( 83) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0025189 k( 84) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0025189 k( 85) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0025189 k( 86) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0025189 k( 87) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0025189 k( 88) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0025189 k( 89) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0025189 k( 90) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025189 k( 91) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0025189 k( 92) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0025189 k( 93) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0025189 k( 94) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0025189 k( 95) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0025189 k( 96) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0025189 k( 97) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0025189 k( 98) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0025189 k( 99) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0025189 k( 100) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0025189 k( 101) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0025189 k( 102) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0025189 k( 103) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0025189 k( 104) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0025189 k( 105) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0025189 k( 106) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0025189 k( 107) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0025189 k( 108) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0025189 k( 109) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0025189 k( 110) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0025189 k( 111) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0025189 k( 112) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0025189 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 115) = ( 0.0000000 0.0000000 0.0155844), wk = 0.0025189 k( 116) = ( 0.0000000 0.0000000 0.0311688), wk = 0.0025189 k( 117) = ( 0.0000000 0.0000000 0.0467531), wk = 0.0025189 k( 118) = ( 0.0000000 0.0000000 0.0623375), wk = 0.0025189 k( 119) = ( 0.0000000 0.0000000 0.0779219), wk = 0.0025189 k( 120) = ( 0.0000000 0.0000000 0.0935063), wk = 0.0025189 k( 121) = ( 0.0000000 0.0000000 0.1090907), wk = 0.0025189 k( 122) = ( 0.0000000 0.0000000 0.1246750), wk = 0.0025189 k( 123) = ( 0.0000000 0.0000000 0.1402594), wk = 0.0025189 k( 124) = ( 0.0000000 0.0000000 0.1558438), wk = 0.0025189 k( 125) = ( 0.0000000 0.0000000 0.1714282), wk = 0.0025189 k( 126) = ( 0.0000000 0.0000000 0.1870126), wk = 0.0025189 k( 127) = ( 0.0000000 0.0000000 0.2025969), wk = 0.0025189 k( 128) = ( 0.0000000 0.0000000 0.2181813), wk = 0.0025189 k( 129) = ( 0.0000000 0.0000000 0.2337657), wk = 0.0025189 k( 130) = ( 0.0000000 0.0000000 0.2493501), wk = 0.0025189 k( 131) = ( 0.0000000 0.0000000 0.2649344), wk = 0.0025189 k( 132) = ( 0.0000000 0.0000000 0.2805188), wk = 0.0025189 k( 133) = ( 0.0000000 0.0000000 0.2961032), wk = 0.0025189 k( 134) = ( 0.0000000 0.0000000 0.3116876), wk = 0.0025189 k( 135) = ( 0.0000000 0.0000000 0.3272720), wk = 0.0025189 k( 136) = ( 0.0000000 0.0000000 0.3428563), wk = 0.0025189 k( 137) = ( 0.0000000 0.0000000 0.3584407), wk = 0.0025189 k( 138) = ( 0.0000000 0.0000000 0.3740251), wk = 0.0025189 k( 139) = ( 0.0000000 0.0000000 0.3896095), wk = 0.0025189 k( 140) = ( 0.0000000 0.0000000 0.4051939), wk = 0.0025189 k( 141) = ( 0.0000000 0.0000000 0.4207782), wk = 0.0025189 k( 142) = ( 0.0000000 0.0000000 0.4363626), wk = 0.0025189 k( 143) = ( 0.0000000 0.0000000 0.4519470), wk = 0.0025189 k( 144) = ( 0.0000000 0.0000000 0.4675314), wk = 0.0025189 k( 145) = ( 0.0000000 0.0000000 0.4831157), wk = 0.0025189 k( 146) = ( 0.0000000 0.0000000 0.4987001), wk = 0.0025189 k( 147) = ( 0.0000000 0.0000000 0.5142845), wk = 0.0025189 k( 148) = ( 0.0000000 0.0000000 0.5298689), wk = 0.0025189 k( 149) = ( 0.0000000 0.0000000 0.5454533), wk = 0.0025189 k( 150) = ( 0.0000000 0.0000000 0.5610376), wk = 0.0025189 k( 151) = ( 0.0000000 0.0000000 0.5766220), wk = 0.0025189 k( 152) = ( 0.0000000 0.0000000 0.5922064), wk = 0.0025189 k( 153) = ( 0.0000000 0.0000000 0.6077908), wk = 0.0025189 k( 154) = ( 0.0000000 0.0000000 0.6233752), wk = 0.0025189 k( 155) = ( 0.0000000 0.0000000 0.6389595), wk = 0.0025189 k( 156) = ( 0.0000000 0.0000000 0.6545439), wk = 0.0025189 k( 157) = ( 0.0000000 0.0000000 0.6701283), wk = 0.0025189 k( 158) = ( 0.0000000 0.0000000 0.6857127), wk = 0.0025189 k( 159) = ( 0.0000000 0.0000000 0.7012971), wk = 0.0025189 k( 160) = ( 0.0000000 0.0000000 0.7168814), wk = 0.0025189 k( 161) = ( 0.0000000 0.0000000 0.7324658), wk = 0.0025189 k( 162) = ( 0.0000000 0.0000000 0.7480502), wk = 0.0025189 k( 163) = ( 0.0000000 0.0000000 0.7636346), wk = 0.0025189 k( 164) = ( 0.0000000 0.0000000 0.7792190), wk = 0.0025189 k( 165) = ( 0.0000000 0.0000000 0.7948033), wk = 0.0025189 k( 166) = ( 0.0000000 0.0000000 0.8103877), wk = 0.0025189 k( 167) = ( 0.0000000 0.0000000 0.8259721), wk = 0.0025189 k( 168) = ( 0.0000000 0.0000000 0.8415565), wk = 0.0025189 k( 169) = ( 0.0000000 0.0000000 0.8571409), wk = 0.0025189 k( 170) = ( 0.0000000 0.0000000 0.8727252), wk = 0.0025189 k( 171) = ( 0.0000000 0.0000000 0.8727252), wk = 0.0025189 k( 172) = ( 0.0000000 0.0156250 0.8727252), wk = 0.0025189 k( 173) = ( 0.0000000 0.0312500 0.8727252), wk = 0.0025189 k( 174) = ( 0.0000000 0.0468750 0.8727252), wk = 0.0025189 k( 175) = ( 0.0000000 0.0625000 0.8727252), wk = 0.0025189 k( 176) = ( 0.0000000 0.0781250 0.8727252), wk = 0.0025189 k( 177) = ( 0.0000000 0.0937500 0.8727252), wk = 0.0025189 k( 178) = ( 0.0000000 0.1093750 0.8727252), wk = 0.0025189 k( 179) = ( 0.0000000 0.1250000 0.8727252), wk = 0.0025189 k( 180) = ( 0.0000000 0.1406250 0.8727252), wk = 0.0025189 k( 181) = ( 0.0000000 0.1562500 0.8727252), wk = 0.0025189 k( 182) = ( 0.0000000 0.1718750 0.8727252), wk = 0.0025189 k( 183) = ( 0.0000000 0.1875000 0.8727252), wk = 0.0025189 k( 184) = ( 0.0000000 0.2031250 0.8727252), wk = 0.0025189 k( 185) = ( 0.0000000 0.2187500 0.8727252), wk = 0.0025189 k( 186) = ( 0.0000000 0.2343750 0.8727252), wk = 0.0025189 k( 187) = ( 0.0000000 0.2500000 0.8727252), wk = 0.0025189 k( 188) = ( 0.0000000 0.2656250 0.8727252), wk = 0.0025189 k( 189) = ( 0.0000000 0.2812500 0.8727252), wk = 0.0025189 k( 190) = ( 0.0000000 0.2968750 0.8727252), wk = 0.0025189 k( 191) = ( 0.0000000 0.3125000 0.8727252), wk = 0.0025189 k( 192) = ( 0.0000000 0.3281250 0.8727252), wk = 0.0025189 k( 193) = ( 0.0000000 0.3437500 0.8727252), wk = 0.0025189 k( 194) = ( 0.0000000 0.3593750 0.8727252), wk = 0.0025189 k( 195) = ( 0.0000000 0.3750000 0.8727252), wk = 0.0025189 k( 196) = ( 0.0000000 0.3906250 0.8727252), wk = 0.0025189 k( 197) = ( 0.0000000 0.4062500 0.8727252), wk = 0.0025189 k( 198) = ( 0.0000000 0.4218750 0.8727252), wk = 0.0025189 k( 199) = ( 0.0000000 0.4375000 0.8727252), wk = 0.0025189 k( 200) = ( 0.0000000 0.4531250 0.8727252), wk = 0.0025189 k( 201) = ( 0.0000000 0.4687500 0.8727252), wk = 0.0025189 k( 202) = ( 0.0000000 0.4843750 0.8727252), wk = 0.0025189 k( 203) = ( 0.0000000 0.5000000 0.8727252), wk = 0.0025189 k( 204) = ( 0.0000000 0.5000000 0.8727252), wk = 0.0025189 k( 205) = ( 0.0156250 0.5000000 0.8727252), wk = 0.0025189 k( 206) = ( 0.0312500 0.5000000 0.8727252), wk = 0.0025189 k( 207) = ( 0.0468750 0.5000000 0.8727252), wk = 0.0025189 k( 208) = ( 0.0625000 0.5000000 0.8727252), wk = 0.0025189 k( 209) = ( 0.0781250 0.5000000 0.8727252), wk = 0.0025189 k( 210) = ( 0.0937500 0.5000000 0.8727252), wk = 0.0025189 k( 211) = ( 0.1093750 0.5000000 0.8727252), wk = 0.0025189 k( 212) = ( 0.1250000 0.5000000 0.8727252), wk = 0.0025189 k( 213) = ( 0.1406250 0.5000000 0.8727252), wk = 0.0025189 k( 214) = ( 0.1562500 0.5000000 0.8727252), wk = 0.0025189 k( 215) = ( 0.1718750 0.5000000 0.8727252), wk = 0.0025189 k( 216) = ( 0.1875000 0.5000000 0.8727252), wk = 0.0025189 k( 217) = ( 0.2031250 0.5000000 0.8727252), wk = 0.0025189 k( 218) = ( 0.2187500 0.5000000 0.8727252), wk = 0.0025189 k( 219) = ( 0.2343750 0.5000000 0.8727252), wk = 0.0025189 k( 220) = ( 0.2500000 0.5000000 0.8727252), wk = 0.0025189 k( 221) = ( 0.2656250 0.5000000 0.8727252), wk = 0.0025189 k( 222) = ( 0.2812500 0.5000000 0.8727252), wk = 0.0025189 k( 223) = ( 0.2968750 0.5000000 0.8727252), wk = 0.0025189 k( 224) = ( 0.3125000 0.5000000 0.8727252), wk = 0.0025189 k( 225) = ( 0.3281250 0.5000000 0.8727252), wk = 0.0025189 k( 226) = ( 0.3437500 0.5000000 0.8727252), wk = 0.0025189 k( 227) = ( 0.3593750 0.5000000 0.8727252), wk = 0.0025189 k( 228) = ( 0.3750000 0.5000000 0.8727252), wk = 0.0025189 k( 229) = ( 0.3906250 0.5000000 0.8727252), wk = 0.0025189 k( 230) = ( 0.4062500 0.5000000 0.8727252), wk = 0.0025189 k( 231) = ( 0.4218750 0.5000000 0.8727252), wk = 0.0025189 k( 232) = ( 0.4375000 0.5000000 0.8727252), wk = 0.0025189 k( 233) = ( 0.4531250 0.5000000 0.8727252), wk = 0.0025189 k( 234) = ( 0.4687500 0.5000000 0.8727252), wk = 0.0025189 k( 235) = ( 0.4843750 0.5000000 0.8727252), wk = 0.0025189 k( 236) = ( 0.5000000 0.5000000 0.8727252), wk = 0.0025189 k( 237) = ( 0.5000000 0.5000000 0.8727252), wk = 0.0025189 k( 238) = ( 0.4891304 0.4891304 0.8727252), wk = 0.0025189 k( 239) = ( 0.4782609 0.4782609 0.8727252), wk = 0.0025189 k( 240) = ( 0.4673913 0.4673913 0.8727252), wk = 0.0025189 k( 241) = ( 0.4565217 0.4565217 0.8727252), wk = 0.0025189 k( 242) = ( 0.4456522 0.4456522 0.8727252), wk = 0.0025189 k( 243) = ( 0.4347826 0.4347826 0.8727252), wk = 0.0025189 k( 244) = ( 0.4239130 0.4239130 0.8727252), wk = 0.0025189 k( 245) = ( 0.4130435 0.4130435 0.8727252), wk = 0.0025189 k( 246) = ( 0.4021739 0.4021739 0.8727252), wk = 0.0025189 k( 247) = ( 0.3913044 0.3913043 0.8727252), wk = 0.0025189 k( 248) = ( 0.3804348 0.3804348 0.8727252), wk = 0.0025189 k( 249) = ( 0.3695652 0.3695652 0.8727252), wk = 0.0025189 k( 250) = ( 0.3586956 0.3586956 0.8727252), wk = 0.0025189 k( 251) = ( 0.3478261 0.3478261 0.8727252), wk = 0.0025189 k( 252) = ( 0.3369565 0.3369565 0.8727252), wk = 0.0025189 k( 253) = ( 0.3260870 0.3260870 0.8727252), wk = 0.0025189 k( 254) = ( 0.3152174 0.3152174 0.8727252), wk = 0.0025189 k( 255) = ( 0.3043478 0.3043478 0.8727252), wk = 0.0025189 k( 256) = ( 0.2934783 0.2934783 0.8727252), wk = 0.0025189 k( 257) = ( 0.2826087 0.2826087 0.8727252), wk = 0.0025189 k( 258) = ( 0.2717391 0.2717391 0.8727252), wk = 0.0025189 k( 259) = ( 0.2608696 0.2608696 0.8727252), wk = 0.0025189 k( 260) = ( 0.2500000 0.2500000 0.8727252), wk = 0.0025189 k( 261) = ( 0.2391304 0.2391304 0.8727252), wk = 0.0025189 k( 262) = ( 0.2282609 0.2282609 0.8727252), wk = 0.0025189 k( 263) = ( 0.2173913 0.2173913 0.8727252), wk = 0.0025189 k( 264) = ( 0.2065217 0.2065217 0.8727252), wk = 0.0025189 k( 265) = ( 0.1956522 0.1956522 0.8727252), wk = 0.0025189 k( 266) = ( 0.1847826 0.1847826 0.8727252), wk = 0.0025189 k( 267) = ( 0.1739130 0.1739130 0.8727252), wk = 0.0025189 k( 268) = ( 0.1630435 0.1630435 0.8727252), wk = 0.0025189 k( 269) = ( 0.1521739 0.1521739 0.8727252), wk = 0.0025189 k( 270) = ( 0.1413043 0.1413043 0.8727252), wk = 0.0025189 k( 271) = ( 0.1304348 0.1304348 0.8727252), wk = 0.0025189 k( 272) = ( 0.1195652 0.1195652 0.8727252), wk = 0.0025189 k( 273) = ( 0.1086957 0.1086956 0.8727252), wk = 0.0025189 k( 274) = ( 0.0978261 0.0978261 0.8727252), wk = 0.0025189 k( 275) = ( 0.0869565 0.0869565 0.8727252), wk = 0.0025189 k( 276) = ( 0.0760870 0.0760870 0.8727252), wk = 0.0025189 k( 277) = ( 0.0652174 0.0652174 0.8727252), wk = 0.0025189 k( 278) = ( 0.0543478 0.0543478 0.8727252), wk = 0.0025189 k( 279) = ( 0.0434783 0.0434783 0.8727252), wk = 0.0025189 k( 280) = ( 0.0326087 0.0326087 0.8727252), wk = 0.0025189 k( 281) = ( 0.0217391 0.0217391 0.8727252), wk = 0.0025189 k( 282) = ( 0.0108696 0.0108696 0.8727252), wk = 0.0025189 k( 283) = ( 0.0000000 0.0000000 0.8727252), wk = 0.0025189 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 285) = ( 0.0000000 0.5000000 0.0155844), wk = 0.0025189 k( 286) = ( 0.0000000 0.5000000 0.0311688), wk = 0.0025189 k( 287) = ( 0.0000000 0.5000000 0.0467531), wk = 0.0025189 k( 288) = ( 0.0000000 0.5000000 0.0623375), wk = 0.0025189 k( 289) = ( 0.0000000 0.5000000 0.0779219), wk = 0.0025189 k( 290) = ( 0.0000000 0.5000000 0.0935063), wk = 0.0025189 k( 291) = ( 0.0000000 0.5000000 0.1090907), wk = 0.0025189 k( 292) = ( 0.0000000 0.5000000 0.1246750), wk = 0.0025189 k( 293) = ( 0.0000000 0.5000000 0.1402594), wk = 0.0025189 k( 294) = ( 0.0000000 0.5000000 0.1558438), wk = 0.0025189 k( 295) = ( 0.0000000 0.5000000 0.1714282), wk = 0.0025189 k( 296) = ( 0.0000000 0.5000000 0.1870126), wk = 0.0025189 k( 297) = ( 0.0000000 0.5000000 0.2025969), wk = 0.0025189 k( 298) = ( 0.0000000 0.5000000 0.2181813), wk = 0.0025189 k( 299) = ( 0.0000000 0.5000000 0.2337657), wk = 0.0025189 k( 300) = ( 0.0000000 0.5000000 0.2493501), wk = 0.0025189 k( 301) = ( 0.0000000 0.5000000 0.2649344), wk = 0.0025189 k( 302) = ( 0.0000000 0.5000000 0.2805188), wk = 0.0025189 k( 303) = ( 0.0000000 0.5000000 0.2961032), wk = 0.0025189 k( 304) = ( 0.0000000 0.5000000 0.3116876), wk = 0.0025189 k( 305) = ( 0.0000000 0.5000000 0.3272720), wk = 0.0025189 k( 306) = ( 0.0000000 0.5000000 0.3428563), wk = 0.0025189 k( 307) = ( 0.0000000 0.5000000 0.3584407), wk = 0.0025189 k( 308) = ( 0.0000000 0.5000000 0.3740251), wk = 0.0025189 k( 309) = ( 0.0000000 0.5000000 0.3896095), wk = 0.0025189 k( 310) = ( 0.0000000 0.5000000 0.4051939), wk = 0.0025189 k( 311) = ( 0.0000000 0.5000000 0.4207782), wk = 0.0025189 k( 312) = ( 0.0000000 0.5000000 0.4363626), wk = 0.0025189 k( 313) = ( 0.0000000 0.5000000 0.4519470), wk = 0.0025189 k( 314) = ( 0.0000000 0.5000000 0.4675314), wk = 0.0025189 k( 315) = ( 0.0000000 0.5000000 0.4831157), wk = 0.0025189 k( 316) = ( 0.0000000 0.5000000 0.4987001), wk = 0.0025189 k( 317) = ( 0.0000000 0.5000000 0.5142845), wk = 0.0025189 k( 318) = ( 0.0000000 0.5000000 0.5298689), wk = 0.0025189 k( 319) = ( 0.0000000 0.5000000 0.5454533), wk = 0.0025189 k( 320) = ( 0.0000000 0.5000000 0.5610376), wk = 0.0025189 k( 321) = ( 0.0000000 0.5000000 0.5766220), wk = 0.0025189 k( 322) = ( 0.0000000 0.5000000 0.5922064), wk = 0.0025189 k( 323) = ( 0.0000000 0.5000000 0.6077908), wk = 0.0025189 k( 324) = ( 0.0000000 0.5000000 0.6233752), wk = 0.0025189 k( 325) = ( 0.0000000 0.5000000 0.6389595), wk = 0.0025189 k( 326) = ( 0.0000000 0.5000000 0.6545439), wk = 0.0025189 k( 327) = ( 0.0000000 0.5000000 0.6701283), wk = 0.0025189 k( 328) = ( 0.0000000 0.5000000 0.6857127), wk = 0.0025189 k( 329) = ( 0.0000000 0.5000000 0.7012971), wk = 0.0025189 k( 330) = ( 0.0000000 0.5000000 0.7168814), wk = 0.0025189 k( 331) = ( 0.0000000 0.5000000 0.7324658), wk = 0.0025189 k( 332) = ( 0.0000000 0.5000000 0.7480502), wk = 0.0025189 k( 333) = ( 0.0000000 0.5000000 0.7636346), wk = 0.0025189 k( 334) = ( 0.0000000 0.5000000 0.7792190), wk = 0.0025189 k( 335) = ( 0.0000000 0.5000000 0.7948033), wk = 0.0025189 k( 336) = ( 0.0000000 0.5000000 0.8103877), wk = 0.0025189 k( 337) = ( 0.0000000 0.5000000 0.8259721), wk = 0.0025189 k( 338) = ( 0.0000000 0.5000000 0.8415565), wk = 0.0025189 k( 339) = ( 0.0000000 0.5000000 0.8571409), wk = 0.0025189 k( 340) = ( 0.0000000 0.5000000 0.8727252), wk = 0.0025189 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 342) = ( 0.5000000 0.5000000 0.0155844), wk = 0.0025189 k( 343) = ( 0.5000000 0.5000000 0.0311688), wk = 0.0025189 k( 344) = ( 0.5000000 0.5000000 0.0467531), wk = 0.0025189 k( 345) = ( 0.5000000 0.5000000 0.0623375), wk = 0.0025189 k( 346) = ( 0.5000000 0.5000000 0.0779219), wk = 0.0025189 k( 347) = ( 0.5000000 0.5000000 0.0935063), wk = 0.0025189 k( 348) = ( 0.5000000 0.5000000 0.1090907), wk = 0.0025189 k( 349) = ( 0.5000000 0.5000000 0.1246750), wk = 0.0025189 k( 350) = ( 0.5000000 0.5000000 0.1402594), wk = 0.0025189 k( 351) = ( 0.5000000 0.5000000 0.1558438), wk = 0.0025189 k( 352) = ( 0.5000000 0.5000000 0.1714282), wk = 0.0025189 k( 353) = ( 0.5000000 0.5000000 0.1870126), wk = 0.0025189 k( 354) = ( 0.5000000 0.5000000 0.2025969), wk = 0.0025189 k( 355) = ( 0.5000000 0.5000000 0.2181813), wk = 0.0025189 k( 356) = ( 0.5000000 0.5000000 0.2337657), wk = 0.0025189 k( 357) = ( 0.5000000 0.5000000 0.2493501), wk = 0.0025189 k( 358) = ( 0.5000000 0.5000000 0.2649344), wk = 0.0025189 k( 359) = ( 0.5000000 0.5000000 0.2805188), wk = 0.0025189 k( 360) = ( 0.5000000 0.5000000 0.2961032), wk = 0.0025189 k( 361) = ( 0.5000000 0.5000000 0.3116876), wk = 0.0025189 k( 362) = ( 0.5000000 0.5000000 0.3272720), wk = 0.0025189 k( 363) = ( 0.5000000 0.5000000 0.3428563), wk = 0.0025189 k( 364) = ( 0.5000000 0.5000000 0.3584407), wk = 0.0025189 k( 365) = ( 0.5000000 0.5000000 0.3740251), wk = 0.0025189 k( 366) = ( 0.5000000 0.5000000 0.3896095), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 0.4051939), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.4207782), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.4363626), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.4519470), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.4675314), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.4831157), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.4987001), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.5142845), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.5298689), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.5454533), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.5610376), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.5766220), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.5922064), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.6077908), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.6233752), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.6389595), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.6545439), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.6701283), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.6857127), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.7012971), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.7168814), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.7324658), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.7480502), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.7636346), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.7792190), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.7948033), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.8103877), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.8259721), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.8415565), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.8571409), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.8727252), wk = 0.0025189 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0025189 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0025189 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0025189 k( 38) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0025189 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0025189 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0025189 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0025189 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025189 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0025189 k( 44) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0025189 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0025189 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0025189 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0025189 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0025189 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0025189 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025189 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0025189 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0025189 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0025189 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0025189 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0025189 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0025189 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0025189 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025189 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0025189 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0025189 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0025189 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0025189 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0025189 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0025189 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0025189 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 68) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0025189 k( 69) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0025189 k( 70) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0025189 k( 71) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0025189 k( 72) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0025189 k( 73) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0025189 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0025189 k( 75) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0025189 k( 76) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0025189 k( 77) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0025189 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0025189 k( 79) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0025189 k( 80) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0025189 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0025189 k( 82) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0025189 k( 83) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0025189 k( 84) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0025189 k( 85) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0025189 k( 86) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0025189 k( 87) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0025189 k( 88) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0025189 k( 89) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0025189 k( 90) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025189 k( 91) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0025189 k( 92) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0025189 k( 93) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0025189 k( 94) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0025189 k( 95) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0025189 k( 96) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0025189 k( 97) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0025189 k( 98) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0025189 k( 99) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0025189 k( 100) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0025189 k( 101) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0025189 k( 102) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0025189 k( 103) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0025189 k( 104) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0025189 k( 105) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0025189 k( 106) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0025189 k( 107) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0025189 k( 108) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0025189 k( 109) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0025189 k( 110) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0025189 k( 111) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0025189 k( 112) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0025189 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 115) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0025189 k( 116) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0025189 k( 117) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0025189 k( 118) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025189 k( 119) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0025189 k( 120) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0025189 k( 121) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025189 k( 122) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025189 k( 123) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0025189 k( 124) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0025189 k( 125) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0025189 k( 126) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025189 k( 127) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0025189 k( 128) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025189 k( 129) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0025189 k( 130) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025189 k( 131) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0025189 k( 132) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0025189 k( 133) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0025189 k( 134) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025189 k( 135) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025189 k( 136) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0025189 k( 137) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0025189 k( 138) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025189 k( 139) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0025189 k( 140) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0025189 k( 141) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0025189 k( 142) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025189 k( 143) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0025189 k( 144) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0025189 k( 145) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0025189 k( 146) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025189 k( 147) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0025189 k( 148) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0025189 k( 149) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025189 k( 150) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025189 k( 151) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0025189 k( 152) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0025189 k( 153) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0025189 k( 154) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025189 k( 155) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0025189 k( 156) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025189 k( 157) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0025189 k( 158) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025189 k( 159) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0025189 k( 160) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0025189 k( 161) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0025189 k( 162) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025189 k( 163) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025189 k( 164) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0025189 k( 165) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0025189 k( 166) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025189 k( 167) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0025189 k( 168) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0025189 k( 169) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0025189 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 172) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0025189 k( 173) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0025189 k( 174) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0025189 k( 175) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0025189 k( 176) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0025189 k( 177) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0025189 k( 178) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0025189 k( 179) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025189 k( 180) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0025189 k( 181) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0025189 k( 182) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0025189 k( 183) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0025189 k( 184) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0025189 k( 185) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0025189 k( 186) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0025189 k( 187) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025189 k( 188) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0025189 k( 189) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0025189 k( 190) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0025189 k( 191) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0025189 k( 192) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0025189 k( 193) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0025189 k( 194) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0025189 k( 195) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025189 k( 196) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0025189 k( 197) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0025189 k( 198) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0025189 k( 199) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0025189 k( 200) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0025189 k( 201) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0025189 k( 202) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0025189 k( 203) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 205) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0025189 k( 206) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0025189 k( 207) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0025189 k( 208) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0025189 k( 209) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0025189 k( 210) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0025189 k( 211) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0025189 k( 212) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025189 k( 213) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0025189 k( 214) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0025189 k( 215) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0025189 k( 216) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0025189 k( 217) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0025189 k( 218) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0025189 k( 219) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0025189 k( 220) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025189 k( 221) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0025189 k( 222) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0025189 k( 223) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0025189 k( 224) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0025189 k( 225) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0025189 k( 226) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0025189 k( 227) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0025189 k( 228) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025189 k( 229) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0025189 k( 230) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0025189 k( 231) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0025189 k( 232) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0025189 k( 233) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0025189 k( 234) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0025189 k( 235) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0025189 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 238) = ( 0.4891304 0.4891304 0.5000000), wk = 0.0025189 k( 239) = ( 0.4782609 0.4782609 0.5000000), wk = 0.0025189 k( 240) = ( 0.4673913 0.4673913 0.5000000), wk = 0.0025189 k( 241) = ( 0.4565217 0.4565217 0.5000000), wk = 0.0025189 k( 242) = ( 0.4456522 0.4456522 0.5000000), wk = 0.0025189 k( 243) = ( 0.4347826 0.4347826 0.5000000), wk = 0.0025189 k( 244) = ( 0.4239130 0.4239130 0.5000000), wk = 0.0025189 k( 245) = ( 0.4130435 0.4130435 0.5000000), wk = 0.0025189 k( 246) = ( 0.4021739 0.4021739 0.5000000), wk = 0.0025189 k( 247) = ( 0.3913044 0.3913044 0.5000000), wk = 0.0025189 k( 248) = ( 0.3804348 0.3804348 0.5000000), wk = 0.0025189 k( 249) = ( 0.3695652 0.3695652 0.5000000), wk = 0.0025189 k( 250) = ( 0.3586956 0.3586956 0.5000000), wk = 0.0025189 k( 251) = ( 0.3478261 0.3478261 0.5000000), wk = 0.0025189 k( 252) = ( 0.3369565 0.3369565 0.5000000), wk = 0.0025189 k( 253) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0025189 k( 254) = ( 0.3152174 0.3152174 0.5000000), wk = 0.0025189 k( 255) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0025189 k( 256) = ( 0.2934783 0.2934783 0.5000000), wk = 0.0025189 k( 257) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0025189 k( 258) = ( 0.2717391 0.2717391 0.5000000), wk = 0.0025189 k( 259) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0025189 k( 260) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025189 k( 261) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0025189 k( 262) = ( 0.2282609 0.2282609 0.5000000), wk = 0.0025189 k( 263) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0025189 k( 264) = ( 0.2065217 0.2065217 0.5000000), wk = 0.0025189 k( 265) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0025189 k( 266) = ( 0.1847826 0.1847826 0.5000000), wk = 0.0025189 k( 267) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0025189 k( 268) = ( 0.1630435 0.1630435 0.5000000), wk = 0.0025189 k( 269) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0025189 k( 270) = ( 0.1413043 0.1413043 0.5000000), wk = 0.0025189 k( 271) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0025189 k( 272) = ( 0.1195652 0.1195652 0.5000000), wk = 0.0025189 k( 273) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0025189 k( 274) = ( 0.0978261 0.0978261 0.5000000), wk = 0.0025189 k( 275) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0025189 k( 276) = ( 0.0760870 0.0760870 0.5000000), wk = 0.0025189 k( 277) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0025189 k( 278) = ( 0.0543478 0.0543478 0.5000000), wk = 0.0025189 k( 279) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0025189 k( 280) = ( 0.0326087 0.0326087 0.5000000), wk = 0.0025189 k( 281) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0025189 k( 282) = ( 0.0108696 0.0108696 0.5000000), wk = 0.0025189 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 285) = ( 0.0000000 0.5000000 0.0089286), wk = 0.0025189 k( 286) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0025189 k( 287) = ( 0.0000000 0.5000000 0.0267857), wk = 0.0025189 k( 288) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0025189 k( 289) = ( 0.0000000 0.5000000 0.0446429), wk = 0.0025189 k( 290) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0025189 k( 291) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025189 k( 292) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0025189 k( 293) = ( 0.0000000 0.5000000 0.0803571), wk = 0.0025189 k( 294) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0025189 k( 295) = ( 0.0000000 0.5000000 0.0982143), wk = 0.0025189 k( 296) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0025189 k( 297) = ( 0.0000000 0.5000000 0.1160714), wk = 0.0025189 k( 298) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025189 k( 299) = ( 0.0000000 0.5000000 0.1339286), wk = 0.0025189 k( 300) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0025189 k( 301) = ( 0.0000000 0.5000000 0.1517857), wk = 0.0025189 k( 302) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0025189 k( 303) = ( 0.0000000 0.5000000 0.1696429), wk = 0.0025189 k( 304) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0025189 k( 305) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025189 k( 306) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0025189 k( 307) = ( 0.0000000 0.5000000 0.2053571), wk = 0.0025189 k( 308) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0025189 k( 309) = ( 0.0000000 0.5000000 0.2232143), wk = 0.0025189 k( 310) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0025189 k( 311) = ( 0.0000000 0.5000000 0.2410714), wk = 0.0025189 k( 312) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025189 k( 313) = ( 0.0000000 0.5000000 0.2589286), wk = 0.0025189 k( 314) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0025189 k( 315) = ( 0.0000000 0.5000000 0.2767857), wk = 0.0025189 k( 316) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0025189 k( 317) = ( 0.0000000 0.5000000 0.2946429), wk = 0.0025189 k( 318) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0025189 k( 319) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025189 k( 320) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0025189 k( 321) = ( 0.0000000 0.5000000 0.3303571), wk = 0.0025189 k( 322) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0025189 k( 323) = ( 0.0000000 0.5000000 0.3482143), wk = 0.0025189 k( 324) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0025189 k( 325) = ( 0.0000000 0.5000000 0.3660714), wk = 0.0025189 k( 326) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025189 k( 327) = ( 0.0000000 0.5000000 0.3839286), wk = 0.0025189 k( 328) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0025189 k( 329) = ( 0.0000000 0.5000000 0.4017857), wk = 0.0025189 k( 330) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0025189 k( 331) = ( 0.0000000 0.5000000 0.4196429), wk = 0.0025189 k( 332) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0025189 k( 333) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025189 k( 334) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0025189 k( 335) = ( 0.0000000 0.5000000 0.4553571), wk = 0.0025189 k( 336) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0025189 k( 337) = ( 0.0000000 0.5000000 0.4732143), wk = 0.0025189 k( 338) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0025189 k( 339) = ( 0.0000000 0.5000000 0.4910714), wk = 0.0025189 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 342) = ( 0.5000000 0.5000000 0.0089286), wk = 0.0025189 k( 343) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0025189 k( 344) = ( 0.5000000 0.5000000 0.0267857), wk = 0.0025189 k( 345) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0025189 k( 346) = ( 0.5000000 0.5000000 0.0446429), wk = 0.0025189 k( 347) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0025189 k( 348) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0025189 k( 349) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0025189 k( 350) = ( 0.5000000 0.5000000 0.0803571), wk = 0.0025189 k( 351) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0025189 k( 352) = ( 0.5000000 0.5000000 0.0982143), wk = 0.0025189 k( 353) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0025189 k( 354) = ( 0.5000000 0.5000000 0.1160714), wk = 0.0025189 k( 355) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025189 k( 356) = ( 0.5000000 0.5000000 0.1339286), wk = 0.0025189 k( 357) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0025189 k( 358) = ( 0.5000000 0.5000000 0.1517857), wk = 0.0025189 k( 359) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0025189 k( 360) = ( 0.5000000 0.5000000 0.1696429), wk = 0.0025189 k( 361) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0025189 k( 362) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0025189 k( 363) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0025189 k( 364) = ( 0.5000000 0.5000000 0.2053571), wk = 0.0025189 k( 365) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0025189 k( 366) = ( 0.5000000 0.5000000 0.2232143), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.2410714), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.2589286), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.2767857), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.2946429), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.3303571), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.3482143), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.3660714), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.3839286), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.4017857), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.4196429), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.4553571), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.4732143), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.4910714), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 Dense grid: 33243 G-vectors FFT dimensions: ( 50, 50, 27) Smooth grid: 15753 G-vectors FFT dimensions: ( 40, 40, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 120, 18) NL pseudopotentials 0.03 Mb ( 60, 34) Each V/rho on FFT grid 0.04 Mb ( 2500) Each G-vector array 0.01 Mb ( 923) G-vector shells 0.00 Mb ( 463) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 120, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Sr.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.6 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.2 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.4 secs Computing kpt #: 16 total cpu time spent up to now is 2.4 secs Computing kpt #: 17 total cpu time spent up to now is 2.5 secs Computing kpt #: 18 total cpu time spent up to now is 2.6 secs Computing kpt #: 19 total cpu time spent up to now is 2.8 secs Computing kpt #: 20 total cpu time spent up to now is 2.8 secs Computing kpt #: 21 total cpu time spent up to now is 2.9 secs Computing kpt #: 22 total cpu time spent up to now is 3.0 secs Computing kpt #: 23 total cpu time spent up to now is 3.0 secs Computing kpt #: 24 total cpu time spent up to now is 3.1 secs Computing kpt #: 25 total cpu time spent up to now is 3.2 secs Computing kpt #: 26 total cpu time spent up to now is 3.3 secs Computing kpt #: 27 total cpu time spent up to now is 3.3 secs Computing kpt #: 28 total cpu time spent up to now is 3.4 secs Computing kpt #: 29 total cpu time spent up to now is 3.5 secs Computing kpt #: 30 total cpu time spent up to now is 3.5 secs Computing kpt #: 31 total cpu time spent up to now is 3.6 secs Computing kpt #: 32 total cpu time spent up to now is 3.7 secs Computing kpt #: 33 total cpu time spent up to now is 3.7 secs Computing kpt #: 34 total cpu time spent up to now is 3.8 secs Computing kpt #: 35 total cpu time spent up to now is 3.9 secs Computing kpt #: 36 total cpu time spent up to now is 4.0 secs Computing kpt #: 37 total cpu time spent up to now is 4.0 secs Computing kpt #: 38 total cpu time spent up to now is 4.1 secs Computing kpt #: 39 total cpu time spent up to now is 4.2 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.5 secs Computing kpt #: 45 total cpu time spent up to now is 4.6 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.7 secs Computing kpt #: 48 total cpu time spent up to now is 4.8 secs Computing kpt #: 49 total cpu time spent up to now is 4.9 secs Computing kpt #: 50 total cpu time spent up to now is 5.0 secs Computing kpt #: 51 total cpu time spent up to now is 5.0 secs Computing kpt #: 52 total cpu time spent up to now is 5.1 secs Computing kpt #: 53 total cpu time spent up to now is 5.2 secs Computing kpt #: 54 total cpu time spent up to now is 5.3 secs Computing kpt #: 55 total cpu time spent up to now is 5.3 secs Computing kpt #: 56 total cpu time spent up to now is 5.4 secs Computing kpt #: 57 total cpu time spent up to now is 5.5 secs Computing kpt #: 58 total cpu time spent up to now is 5.6 secs Computing kpt #: 59 total cpu time spent up to now is 5.7 secs Computing kpt #: 60 total cpu time spent up to now is 5.7 secs Computing kpt #: 61 total cpu time spent up to now is 5.8 secs Computing kpt #: 62 total cpu time spent up to now is 5.9 secs Computing kpt #: 63 total cpu time spent up to now is 5.9 secs Computing kpt #: 64 total cpu time spent up to now is 6.0 secs Computing kpt #: 65 total cpu time spent up to now is 6.1 secs Computing kpt #: 66 total cpu time spent up to now is 6.1 secs Computing kpt #: 67 total cpu time spent up to now is 6.2 secs Computing kpt #: 68 total cpu time spent up to now is 6.3 secs Computing kpt #: 69 total cpu time spent up to now is 6.3 secs Computing kpt #: 70 total cpu time spent up to now is 6.4 secs Computing kpt #: 71 total cpu time spent up to now is 6.5 secs Computing kpt #: 72 total cpu time spent up to now is 6.5 secs Computing kpt #: 73 total cpu time spent up to now is 6.6 secs Computing kpt #: 74 total cpu time spent up to now is 6.7 secs Computing kpt #: 75 total cpu time spent up to now is 6.7 secs Computing kpt #: 76 total cpu time spent up to now is 6.8 secs Computing kpt #: 77 total cpu time spent up to now is 6.9 secs Computing kpt #: 78 total cpu time spent up to now is 6.9 secs Computing kpt #: 79 total cpu time spent up to now is 7.0 secs Computing kpt #: 80 total cpu time spent up to now is 7.1 secs Computing kpt #: 81 total cpu time spent up to now is 7.2 secs Computing kpt #: 82 total cpu time spent up to now is 7.3 secs Computing kpt #: 83 total cpu time spent up to now is 7.3 secs Computing kpt #: 84 total cpu time spent up to now is 7.4 secs Computing kpt #: 85 total cpu time spent up to now is 7.5 secs Computing kpt #: 86 total cpu time spent up to now is 7.6 secs Computing kpt #: 87 total cpu time spent up to now is 7.6 secs Computing kpt #: 88 total cpu time spent up to now is 7.7 secs Computing kpt #: 89 total cpu time spent up to now is 7.8 secs Computing kpt #: 90 total cpu time spent up to now is 7.9 secs Computing kpt #: 91 total cpu time spent up to now is 8.0 secs Computing kpt #: 92 total cpu time spent up to now is 8.1 secs Computing kpt #: 93 total cpu time spent up to now is 8.2 secs Computing kpt #: 94 total cpu time spent up to now is 8.3 secs Computing kpt #: 95 total cpu time spent up to now is 8.4 secs Computing kpt #: 96 total cpu time spent up to now is 8.5 secs Computing kpt #: 97 total cpu time spent up to now is 8.6 secs Computing kpt #: 98 total cpu time spent up to now is 8.7 secs Computing kpt #: 99 total cpu time spent up to now is 8.8 secs Computing kpt #: 100 total cpu time spent up to now is 8.9 secs Computing kpt #: 101 total cpu time spent up to now is 9.0 secs Computing kpt #: 102 total cpu time spent up to now is 9.1 secs Computing kpt #: 103 total cpu time spent up to now is 9.2 secs Computing kpt #: 104 total cpu time spent up to now is 9.3 secs Computing kpt #: 105 total cpu time spent up to now is 9.5 secs Computing kpt #: 106 total cpu time spent up to now is 9.6 secs Computing kpt #: 107 total cpu time spent up to now is 9.7 secs Computing kpt #: 108 total cpu time spent up to now is 9.7 secs Computing kpt #: 109 total cpu time spent up to now is 9.8 secs Computing kpt #: 110 total cpu time spent up to now is 9.9 secs Computing kpt #: 111 total cpu time spent up to now is 10.0 secs Computing kpt #: 112 total cpu time spent up to now is 10.1 secs Computing kpt #: 113 total cpu time spent up to now is 10.2 secs Computing kpt #: 114 total cpu time spent up to now is 10.3 secs Computing kpt #: 115 total cpu time spent up to now is 10.3 secs Computing kpt #: 116 total cpu time spent up to now is 10.4 secs Computing kpt #: 117 total cpu time spent up to now is 10.5 secs Computing kpt #: 118 total cpu time spent up to now is 10.6 secs Computing kpt #: 119 total cpu time spent up to now is 10.7 secs Computing kpt #: 120 total cpu time spent up to now is 10.8 secs Computing kpt #: 121 total cpu time spent up to now is 10.9 secs Computing kpt #: 122 total cpu time spent up to now is 11.0 secs Computing kpt #: 123 total cpu time spent up to now is 11.1 secs Computing kpt #: 124 total cpu time spent up to now is 11.2 secs Computing kpt #: 125 total cpu time spent up to now is 11.3 secs Computing kpt #: 126 total cpu time spent up to now is 11.4 secs Computing kpt #: 127 total cpu time spent up to now is 11.5 secs Computing kpt #: 128 total cpu time spent up to now is 11.6 secs Computing kpt #: 129 total cpu time spent up to now is 11.7 secs Computing kpt #: 130 total cpu time spent up to now is 11.8 secs Computing kpt #: 131 total cpu time spent up to now is 11.9 secs Computing kpt #: 132 total cpu time spent up to now is 12.0 secs Computing kpt #: 133 total cpu time spent up to now is 12.1 secs Computing kpt #: 134 total cpu time spent up to now is 12.2 secs Computing kpt #: 135 total cpu time spent up to now is 12.3 secs Computing kpt #: 136 total cpu time spent up to now is 12.3 secs Computing kpt #: 137 total cpu time spent up to now is 12.4 secs Computing kpt #: 138 total cpu time spent up to now is 12.5 secs Computing kpt #: 139 total cpu time spent up to now is 12.6 secs Computing kpt #: 140 total cpu time spent up to now is 12.7 secs Computing kpt #: 141 total cpu time spent up to now is 12.8 secs Computing kpt #: 142 total cpu time spent up to now is 12.8 secs Computing kpt #: 143 total cpu time spent up to now is 12.9 secs Computing kpt #: 144 total cpu time spent up to now is 13.0 secs Computing kpt #: 145 total cpu time spent up to now is 13.1 secs Computing kpt #: 146 total cpu time spent up to now is 13.2 secs Computing kpt #: 147 total cpu time spent up to now is 13.3 secs Computing kpt #: 148 total cpu time spent up to now is 13.4 secs Computing kpt #: 149 total cpu time spent up to now is 13.5 secs Computing kpt #: 150 total cpu time spent up to now is 13.6 secs Computing kpt #: 151 total cpu time spent up to now is 13.7 secs Computing kpt #: 152 total cpu time spent up to now is 13.8 secs Computing kpt #: 153 total cpu time spent up to now is 13.9 secs Computing kpt #: 154 total cpu time spent up to now is 14.0 secs Computing kpt #: 155 total cpu time spent up to now is 14.1 secs Computing kpt #: 156 total cpu time spent up to now is 14.2 secs Computing kpt #: 157 total cpu time spent up to now is 14.2 secs Computing kpt #: 158 total cpu time spent up to now is 14.3 secs Computing kpt #: 159 total cpu time spent up to now is 14.4 secs Computing kpt #: 160 total cpu time spent up to now is 14.5 secs Computing kpt #: 161 total cpu time spent up to now is 14.6 secs Computing kpt #: 162 total cpu time spent up to now is 14.7 secs Computing kpt #: 163 total cpu time spent up to now is 14.7 secs Computing kpt #: 164 total cpu time spent up to now is 14.8 secs Computing kpt #: 165 total cpu time spent up to now is 14.9 secs Computing kpt #: 166 total cpu time spent up to now is 15.0 secs Computing kpt #: 167 total cpu time spent up to now is 15.1 secs Computing kpt #: 168 total cpu time spent up to now is 15.2 secs Computing kpt #: 169 total cpu time spent up to now is 15.2 secs Computing kpt #: 170 total cpu time spent up to now is 15.3 secs Computing kpt #: 171 total cpu time spent up to now is 15.4 secs Computing kpt #: 172 total cpu time spent up to now is 15.5 secs Computing kpt #: 173 total cpu time spent up to now is 15.6 secs Computing kpt #: 174 total cpu time spent up to now is 15.7 secs Computing kpt #: 175 total cpu time spent up to now is 15.8 secs Computing kpt #: 176 total cpu time spent up to now is 15.9 secs Computing kpt #: 177 total cpu time spent up to now is 15.9 secs Computing kpt #: 178 total cpu time spent up to now is 16.0 secs Computing kpt #: 179 total cpu time spent up to now is 16.1 secs Computing kpt #: 180 total cpu time spent up to now is 16.2 secs Computing kpt #: 181 total cpu time spent up to now is 16.3 secs Computing kpt #: 182 total cpu time spent up to now is 16.4 secs Computing kpt #: 183 total cpu time spent up to now is 16.5 secs Computing kpt #: 184 total cpu time spent up to now is 16.5 secs Computing kpt #: 185 total cpu time spent up to now is 16.6 secs Computing kpt #: 186 total cpu time spent up to now is 16.7 secs Computing kpt #: 187 total cpu time spent up to now is 16.8 secs Computing kpt #: 188 total cpu time spent up to now is 16.9 secs Computing kpt #: 189 total cpu time spent up to now is 17.0 secs Computing kpt #: 190 total cpu time spent up to now is 17.1 secs Computing kpt #: 191 total cpu time spent up to now is 17.2 secs Computing kpt #: 192 total cpu time spent up to now is 17.3 secs Computing kpt #: 193 total cpu time spent up to now is 17.4 secs Computing kpt #: 194 total cpu time spent up to now is 17.4 secs Computing kpt #: 195 total cpu time spent up to now is 17.5 secs Computing kpt #: 196 total cpu time spent up to now is 17.6 secs Computing kpt #: 197 total cpu time spent up to now is 17.7 secs Computing kpt #: 198 total cpu time spent up to now is 17.9 secs Computing kpt #: 199 total cpu time spent up to now is 18.0 secs Computing kpt #: 200 total cpu time spent up to now is 18.1 secs Computing kpt #: 201 total cpu time spent up to now is 18.2 secs Computing kpt #: 202 total cpu time spent up to now is 18.4 secs Computing kpt #: 203 total cpu time spent up to now is 18.5 secs Computing kpt #: 204 total cpu time spent up to now is 18.6 secs Computing kpt #: 205 total cpu time spent up to now is 18.7 secs Computing kpt #: 206 total cpu time spent up to now is 18.8 secs Computing kpt #: 207 total cpu time spent up to now is 18.8 secs Computing kpt #: 208 total cpu time spent up to now is 18.9 secs Computing kpt #: 209 total cpu time spent up to now is 19.0 secs Computing kpt #: 210 total cpu time spent up to now is 19.1 secs Computing kpt #: 211 total cpu time spent up to now is 19.2 secs Computing kpt #: 212 total cpu time spent up to now is 19.2 secs Computing kpt #: 213 total cpu time spent up to now is 19.3 secs Computing kpt #: 214 total cpu time spent up to now is 19.4 secs Computing kpt #: 215 total cpu time spent up to now is 19.5 secs Computing kpt #: 216 total cpu time spent up to now is 19.5 secs Computing kpt #: 217 total cpu time spent up to now is 19.6 secs Computing kpt #: 218 total cpu time spent up to now is 19.7 secs Computing kpt #: 219 total cpu time spent up to now is 19.8 secs Computing kpt #: 220 total cpu time spent up to now is 20.0 secs Computing kpt #: 221 total cpu time spent up to now is 20.1 secs Computing kpt #: 222 total cpu time spent up to now is 20.2 secs Computing kpt #: 223 total cpu time spent up to now is 20.3 secs Computing kpt #: 224 total cpu time spent up to now is 20.3 secs Computing kpt #: 225 total cpu time spent up to now is 20.4 secs Computing kpt #: 226 total cpu time spent up to now is 20.5 secs Computing kpt #: 227 total cpu time spent up to now is 20.6 secs Computing kpt #: 228 total cpu time spent up to now is 20.7 secs Computing kpt #: 229 total cpu time spent up to now is 20.8 secs Computing kpt #: 230 total cpu time spent up to now is 20.9 secs Computing kpt #: 231 total cpu time spent up to now is 21.0 secs Computing kpt #: 232 total cpu time spent up to now is 21.1 secs Computing kpt #: 233 total cpu time spent up to now is 21.2 secs Computing kpt #: 234 total cpu time spent up to now is 21.3 secs Computing kpt #: 235 total cpu time spent up to now is 21.4 secs Computing kpt #: 236 total cpu time spent up to now is 21.5 secs Computing kpt #: 237 total cpu time spent up to now is 21.6 secs Computing kpt #: 238 total cpu time spent up to now is 21.7 secs Computing kpt #: 239 total cpu time spent up to now is 21.8 secs Computing kpt #: 240 total cpu time spent up to now is 21.9 secs Computing kpt #: 241 total cpu time spent up to now is 22.0 secs Computing kpt #: 242 total cpu time spent up to now is 22.0 secs Computing kpt #: 243 total cpu time spent up to now is 22.1 secs Computing kpt #: 244 total cpu time spent up to now is 22.2 secs Computing kpt #: 245 total cpu time spent up to now is 22.3 secs Computing kpt #: 246 total cpu time spent up to now is 22.4 secs Computing kpt #: 247 total cpu time spent up to now is 22.5 secs Computing kpt #: 248 total cpu time spent up to now is 22.6 secs Computing kpt #: 249 total cpu time spent up to now is 22.8 secs Computing kpt #: 250 total cpu time spent up to now is 22.9 secs Computing kpt #: 251 total cpu time spent up to now is 23.0 secs Computing kpt #: 252 total cpu time spent up to now is 23.1 secs Computing kpt #: 253 total cpu time spent up to now is 23.2 secs Computing kpt #: 254 total cpu time spent up to now is 23.3 secs Computing kpt #: 255 total cpu time spent up to now is 23.4 secs Computing kpt #: 256 total cpu time spent up to now is 23.5 secs Computing kpt #: 257 total cpu time spent up to now is 23.6 secs Computing kpt #: 258 total cpu time spent up to now is 23.7 secs Computing kpt #: 259 total cpu time spent up to now is 23.8 secs Computing kpt #: 260 total cpu time spent up to now is 23.9 secs Computing kpt #: 261 total cpu time spent up to now is 24.0 secs Computing kpt #: 262 total cpu time spent up to now is 24.1 secs Computing kpt #: 263 total cpu time spent up to now is 24.3 secs Computing kpt #: 264 total cpu time spent up to now is 24.4 secs Computing kpt #: 265 total cpu time spent up to now is 24.5 secs Computing kpt #: 266 total cpu time spent up to now is 24.6 secs Computing kpt #: 267 total cpu time spent up to now is 24.7 secs Computing kpt #: 268 total cpu time spent up to now is 24.8 secs Computing kpt #: 269 total cpu time spent up to now is 24.9 secs Computing kpt #: 270 total cpu time spent up to now is 24.9 secs Computing kpt #: 271 total cpu time spent up to now is 25.0 secs Computing kpt #: 272 total cpu time spent up to now is 25.1 secs Computing kpt #: 273 total cpu time spent up to now is 25.2 secs Computing kpt #: 274 total cpu time spent up to now is 25.3 secs Computing kpt #: 275 total cpu time spent up to now is 25.4 secs Computing kpt #: 276 total cpu time spent up to now is 25.5 secs Computing kpt #: 277 total cpu time spent up to now is 25.6 secs Computing kpt #: 278 total cpu time spent up to now is 25.7 secs Computing kpt #: 279 total cpu time spent up to now is 25.8 secs Computing kpt #: 280 total cpu time spent up to now is 25.9 secs Computing kpt #: 281 total cpu time spent up to now is 25.9 secs Computing kpt #: 282 total cpu time spent up to now is 26.0 secs Computing kpt #: 283 total cpu time spent up to now is 26.1 secs Computing kpt #: 284 total cpu time spent up to now is 26.2 secs Computing kpt #: 285 total cpu time spent up to now is 26.3 secs Computing kpt #: 286 total cpu time spent up to now is 26.4 secs Computing kpt #: 287 total cpu time spent up to now is 26.4 secs Computing kpt #: 288 total cpu time spent up to now is 26.5 secs Computing kpt #: 289 total cpu time spent up to now is 26.6 secs Computing kpt #: 290 total cpu time spent up to now is 26.7 secs Computing kpt #: 291 total cpu time spent up to now is 26.8 secs Computing kpt #: 292 total cpu time spent up to now is 26.9 secs Computing kpt #: 293 total cpu time spent up to now is 27.0 secs Computing kpt #: 294 total cpu time spent up to now is 27.0 secs Computing kpt #: 295 total cpu time spent up to now is 27.1 secs Computing kpt #: 296 total cpu time spent up to now is 27.2 secs Computing kpt #: 297 total cpu time spent up to now is 27.3 secs Computing kpt #: 298 total cpu time spent up to now is 27.4 secs Computing kpt #: 299 total cpu time spent up to now is 27.5 secs Computing kpt #: 300 total cpu time spent up to now is 27.6 secs Computing kpt #: 301 total cpu time spent up to now is 27.7 secs Computing kpt #: 302 total cpu time spent up to now is 27.8 secs Computing kpt #: 303 total cpu time spent up to now is 27.9 secs Computing kpt #: 304 total cpu time spent up to now is 28.0 secs Computing kpt #: 305 total cpu time spent up to now is 28.1 secs Computing kpt #: 306 total cpu time spent up to now is 28.2 secs Computing kpt #: 307 total cpu time spent up to now is 28.3 secs Computing kpt #: 308 total cpu time spent up to now is 28.3 secs Computing kpt #: 309 total cpu time spent up to now is 28.4 secs Computing kpt #: 310 total cpu time spent up to now is 28.6 secs Computing kpt #: 311 total cpu time spent up to now is 28.6 secs Computing kpt #: 312 total cpu time spent up to now is 28.8 secs Computing kpt #: 313 total cpu time spent up to now is 28.9 secs Computing kpt #: 314 total cpu time spent up to now is 29.0 secs Computing kpt #: 315 total cpu time spent up to now is 29.1 secs Computing kpt #: 316 total cpu time spent up to now is 29.2 secs Computing kpt #: 317 total cpu time spent up to now is 29.3 secs Computing kpt #: 318 total cpu time spent up to now is 29.3 secs Computing kpt #: 319 total cpu time spent up to now is 29.4 secs Computing kpt #: 320 total cpu time spent up to now is 29.5 secs Computing kpt #: 321 total cpu time spent up to now is 29.6 secs Computing kpt #: 322 total cpu time spent up to now is 29.7 secs Computing kpt #: 323 total cpu time spent up to now is 29.8 secs Computing kpt #: 324 total cpu time spent up to now is 29.9 secs Computing kpt #: 325 total cpu time spent up to now is 30.0 secs Computing kpt #: 326 total cpu time spent up to now is 30.1 secs Computing kpt #: 327 total cpu time spent up to now is 30.2 secs Computing kpt #: 328 total cpu time spent up to now is 30.3 secs Computing kpt #: 329 total cpu time spent up to now is 30.3 secs Computing kpt #: 330 total cpu time spent up to now is 30.5 secs Computing kpt #: 331 total cpu time spent up to now is 30.6 secs Computing kpt #: 332 total cpu time spent up to now is 30.6 secs Computing kpt #: 333 total cpu time spent up to now is 30.8 secs Computing kpt #: 334 total cpu time spent up to now is 30.9 secs Computing kpt #: 335 total cpu time spent up to now is 31.0 secs Computing kpt #: 336 total cpu time spent up to now is 31.1 secs Computing kpt #: 337 total cpu time spent up to now is 31.2 secs Computing kpt #: 338 total cpu time spent up to now is 31.3 secs Computing kpt #: 339 total cpu time spent up to now is 31.4 secs Computing kpt #: 340 total cpu time spent up to now is 31.6 secs Computing kpt #: 341 total cpu time spent up to now is 31.6 secs Computing kpt #: 342 total cpu time spent up to now is 31.7 secs Computing kpt #: 343 total cpu time spent up to now is 31.8 secs Computing kpt #: 344 total cpu time spent up to now is 31.8 secs Computing kpt #: 345 total cpu time spent up to now is 31.9 secs Computing kpt #: 346 total cpu time spent up to now is 32.0 secs Computing kpt #: 347 total cpu time spent up to now is 32.1 secs Computing kpt #: 348 total cpu time spent up to now is 32.1 secs Computing kpt #: 349 total cpu time spent up to now is 32.2 secs Computing kpt #: 350 total cpu time spent up to now is 32.3 secs Computing kpt #: 351 total cpu time spent up to now is 32.3 secs Computing kpt #: 352 total cpu time spent up to now is 32.4 secs Computing kpt #: 353 total cpu time spent up to now is 32.5 secs Computing kpt #: 354 total cpu time spent up to now is 32.6 secs Computing kpt #: 355 total cpu time spent up to now is 32.6 secs Computing kpt #: 356 total cpu time spent up to now is 32.8 secs Computing kpt #: 357 total cpu time spent up to now is 32.9 secs Computing kpt #: 358 total cpu time spent up to now is 33.0 secs Computing kpt #: 359 total cpu time spent up to now is 33.1 secs Computing kpt #: 360 total cpu time spent up to now is 33.1 secs Computing kpt #: 361 total cpu time spent up to now is 33.2 secs Computing kpt #: 362 total cpu time spent up to now is 33.3 secs Computing kpt #: 363 total cpu time spent up to now is 33.4 secs Computing kpt #: 364 total cpu time spent up to now is 33.4 secs Computing kpt #: 365 total cpu time spent up to now is 33.5 secs Computing kpt #: 366 total cpu time spent up to now is 33.6 secs Computing kpt #: 367 total cpu time spent up to now is 33.7 secs Computing kpt #: 368 total cpu time spent up to now is 33.8 secs Computing kpt #: 369 total cpu time spent up to now is 33.9 secs Computing kpt #: 370 total cpu time spent up to now is 34.0 secs Computing kpt #: 371 total cpu time spent up to now is 34.1 secs Computing kpt #: 372 total cpu time spent up to now is 34.2 secs Computing kpt #: 373 total cpu time spent up to now is 34.3 secs Computing kpt #: 374 total cpu time spent up to now is 34.4 secs Computing kpt #: 375 total cpu time spent up to now is 34.5 secs Computing kpt #: 376 total cpu time spent up to now is 34.6 secs Computing kpt #: 377 total cpu time spent up to now is 34.7 secs Computing kpt #: 378 total cpu time spent up to now is 34.8 secs Computing kpt #: 379 total cpu time spent up to now is 34.9 secs Computing kpt #: 380 total cpu time spent up to now is 35.0 secs Computing kpt #: 381 total cpu time spent up to now is 35.1 secs Computing kpt #: 382 total cpu time spent up to now is 35.2 secs Computing kpt #: 383 total cpu time spent up to now is 35.4 secs Computing kpt #: 384 total cpu time spent up to now is 35.5 secs Computing kpt #: 385 total cpu time spent up to now is 35.6 secs Computing kpt #: 386 total cpu time spent up to now is 35.7 secs Computing kpt #: 387 total cpu time spent up to now is 35.8 secs Computing kpt #: 388 total cpu time spent up to now is 36.0 secs Computing kpt #: 389 total cpu time spent up to now is 36.1 secs Computing kpt #: 390 total cpu time spent up to now is 36.2 secs Computing kpt #: 391 total cpu time spent up to now is 36.3 secs Computing kpt #: 392 total cpu time spent up to now is 36.4 secs Computing kpt #: 393 total cpu time spent up to now is 36.5 secs Computing kpt #: 394 total cpu time spent up to now is 36.6 secs Computing kpt #: 395 total cpu time spent up to now is 36.7 secs Computing kpt #: 396 total cpu time spent up to now is 36.9 secs Computing kpt #: 397 total cpu time spent up to now is 37.0 secs ethr = 1.00E-07, avg # of iterations = 17.8 total cpu time spent up to now is 37.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1967 PWs) bands (ev): -33.7997 -33.7997 -16.2598 -16.2598 -15.3523 -15.3523 -14.1297 -14.1297 0.6574 0.6574 3.3165 3.3165 3.7081 3.7081 5.9319 5.9319 7.3814 7.3814 k = 0.0000 0.0156-0.0000 ( 1967 PWs) bands (ev): -33.7997 -33.7997 -16.2598 -16.2598 -15.3523 -15.3523 -14.1297 -14.1297 0.6591 0.6591 3.3165 3.3165 3.7084 3.7084 5.9279 5.9279 7.3798 7.3798 k = 0.0000 0.0312-0.0000 ( 1975 PWs) bands (ev): -33.7997 -33.7997 -16.2599 -16.2599 -15.3524 -15.3524 -14.1297 -14.1297 0.6644 0.6644 3.3164 3.3164 3.7090 3.7090 5.9162 5.9162 7.3709 7.3709 k = 0.0000 0.0469-0.0000 ( 1979 PWs) bands (ev): -33.7997 -33.7997 -16.2600 -16.2600 -15.3526 -15.3526 -14.1298 -14.1298 0.6733 0.6733 3.3163 3.3163 3.7100 3.7100 5.8973 5.8973 7.3465 7.3465 k = 0.0000 0.0625-0.0000 ( 1979 PWs) bands (ev): -33.7997 -33.7997 -16.2602 -16.2602 -15.3528 -15.3528 -14.1298 -14.1298 0.6856 0.6856 3.3162 3.3162 3.7113 3.7113 5.8720 5.8720 7.3038 7.3038 k = 0.0000 0.0781-0.0000 ( 1987 PWs) bands (ev): -33.7997 -33.7997 -16.2604 -16.2604 -15.3530 -15.3530 -14.1298 -14.1298 0.7013 0.7013 3.3160 3.3160 3.7127 3.7127 5.8414 5.8414 7.2460 7.2460 k = 0.0000 0.0938-0.0000 ( 1993 PWs) bands (ev): -33.7997 -33.7997 -16.2606 -16.2606 -15.3533 -15.3533 -14.1298 -14.1298 0.7205 0.7205 3.3156 3.3156 3.7142 3.7142 5.8063 5.8063 7.1776 7.1776 k = 0.0000 0.1094-0.0000 ( 1993 PWs) bands (ev): -33.7997 -33.7997 -16.2609 -16.2609 -15.3537 -15.3537 -14.1298 -14.1298 0.7431 0.7431 3.3151 3.3151 3.7155 3.7155 5.7678 5.7678 7.1018 7.1018 k = 0.0000 0.1250-0.0000 ( 1993 PWs) bands (ev): -33.7996 -33.7996 -16.2612 -16.2612 -15.3541 -15.3541 -14.1299 -14.1299 0.7690 0.7690 3.3145 3.3145 3.7165 3.7165 5.7269 5.7269 7.0212 7.0212 k = 0.0000 0.1406-0.0000 ( 1997 PWs) bands (ev): -33.7996 -33.7996 -16.2615 -16.2615 -15.3546 -15.3546 -14.1299 -14.1299 0.7980 0.7980 3.3136 3.3136 3.7168 3.7168 5.6842 5.6842 6.9381 6.9381 k = 0.0000 0.1562-0.0000 ( 1983 PWs) bands (ev): -33.7996 -33.7996 -16.2619 -16.2619 -15.3551 -15.3551 -14.1299 -14.1299 0.8302 0.8302 3.3124 3.3124 3.7162 3.7162 5.6405 5.6405 6.8542 6.8542 k = 0.0000 0.1719-0.0000 ( 1975 PWs) bands (ev): -33.7996 -33.7996 -16.2623 -16.2623 -15.3556 -15.3556 -14.1300 -14.1300 0.8654 0.8654 3.3108 3.3108 3.7144 3.7144 5.5964 5.5964 6.7710 6.7710 k = 0.0000 0.1875-0.0000 ( 1975 PWs) bands (ev): -33.7995 -33.7995 -16.2627 -16.2627 -15.3561 -15.3561 -14.1300 -14.1300 0.9035 0.9035 3.3088 3.3088 3.7112 3.7112 5.5523 5.5523 6.6898 6.6898 k = 0.0000 0.2031-0.0000 ( 1971 PWs) bands (ev): -33.7995 -33.7995 -16.2632 -16.2632 -15.3567 -15.3567 -14.1300 -14.1300 0.9444 0.9444 3.3062 3.3062 3.7063 3.7063 5.5088 5.5088 6.6117 6.6117 k = 0.0000 0.2188-0.0000 ( 1973 PWs) bands (ev): -33.7995 -33.7995 -16.2636 -16.2636 -15.3573 -15.3573 -14.1301 -14.1301 0.9879 0.9879 3.3028 3.3028 3.6994 3.6994 5.4661 5.4661 6.5378 6.5378 k = 0.0000 0.2344-0.0000 ( 1973 PWs) bands (ev): -33.7995 -33.7995 -16.2641 -16.2641 -15.3579 -15.3579 -14.1301 -14.1301 1.0339 1.0339 3.2985 3.2985 3.6903 3.6903 5.4246 5.4246 6.4687 6.4687 k = 0.0000 0.2500-0.0000 ( 1969 PWs) bands (ev): -33.7994 -33.7994 -16.2645 -16.2645 -15.3585 -15.3585 -14.1301 -14.1301 1.0820 1.0820 3.2932 3.2932 3.6790 3.6790 5.3845 5.3845 6.4052 6.4052 k = 0.0000 0.2656-0.0000 ( 1973 PWs) bands (ev): -33.7994 -33.7994 -16.2650 -16.2650 -15.3591 -15.3591 -14.1302 -14.1302 1.1322 1.1322 3.2863 3.2863 3.6655 3.6655 5.3461 5.3461 6.3478 6.3478 k = 0.0000 0.2812-0.0000 ( 1981 PWs) bands (ev): -33.7994 -33.7994 -16.2655 -16.2655 -15.3597 -15.3597 -14.1302 -14.1302 1.1842 1.1842 3.2778 3.2778 3.6499 3.6499 5.3095 5.3095 6.2968 6.2968 k = 0.0000 0.2969-0.0000 ( 1981 PWs) bands (ev): -33.7993 -33.7993 -16.2659 -16.2659 -15.3603 -15.3603 -14.1303 -14.1303 1.2375 1.2375 3.2671 3.2671 3.6328 3.6328 5.2748 5.2748 6.2525 6.2525 k = 0.0000 0.3125-0.0000 ( 1989 PWs) bands (ev): -33.7993 -33.7993 -16.2664 -16.2664 -15.3608 -15.3608 -14.1303 -14.1303 1.2920 1.2920 3.2539 3.2539 3.6145 3.6145 5.2423 5.2423 6.2149 6.2149 k = 0.0000 0.3281-0.0000 ( 1989 PWs) bands (ev): -33.7993 -33.7993 -16.2668 -16.2668 -15.3614 -15.3614 -14.1303 -14.1303 1.3471 1.3471 3.2378 3.2378 3.5959 3.5959 5.2121 5.2121 6.1837 6.1837 k = 0.0000 0.3438-0.0000 ( 1989 PWs) bands (ev): -33.7993 -33.7993 -16.2672 -16.2672 -15.3619 -15.3619 -14.1304 -14.1304 1.4024 1.4024 3.2184 3.2184 3.5776 3.5776 5.1841 5.1841 6.1587 6.1587 k = 0.0000 0.3594-0.0000 ( 1989 PWs) bands (ev): -33.7992 -33.7992 -16.2676 -16.2676 -15.3624 -15.3624 -14.1304 -14.1304 1.4574 1.4574 3.1958 3.1958 3.5604 3.5604 5.1586 5.1586 6.1393 6.1393 k = 0.0000 0.3750-0.0000 ( 1992 PWs) bands (ev): -33.7992 -33.7992 -16.2679 -16.2679 -15.3628 -15.3628 -14.1304 -14.1304 1.5112 1.5112 3.1701 3.1701 3.5448 3.5448 5.1356 5.1356 6.1250 6.1250 k = 0.0000 0.3906-0.0000 ( 1988 PWs) bands (ev): -33.7992 -33.7992 -16.2683 -16.2683 -15.3632 -15.3632 -14.1304 -14.1304 1.5631 1.5631 3.1421 3.1421 3.5313 3.5313 5.1152 5.1152 6.1150 6.1150 k = 0.0000 0.4062-0.0000 ( 1986 PWs) bands (ev): -33.7992 -33.7992 -16.2685 -16.2685 -15.3636 -15.3636 -14.1305 -14.1305 1.6121 1.6121 3.1127 3.1127 3.5200 3.5200 5.0974 5.0974 6.1086 6.1086 k = 0.0000 0.4219-0.0000 ( 1992 PWs) bands (ev): -33.7992 -33.7992 -16.2688 -16.2688 -15.3639 -15.3639 -14.1305 -14.1305 1.6571 1.6571 3.0835 3.0835 3.5108 3.5108 5.0823 5.0823 6.1049 6.1049 k = 0.0000 0.4375-0.0000 ( 1992 PWs) bands (ev): -33.7992 -33.7992 -16.2690 -16.2690 -15.3641 -15.3641 -14.1305 -14.1305 1.6968 1.6968 3.0560 3.0560 3.5036 3.5036 5.0698 5.0698 6.1031 6.1031 k = 0.0000 0.4531-0.0000 ( 1992 PWs) bands (ev): -33.7991 -33.7991 -16.2692 -16.2692 -15.3643 -15.3643 -14.1305 -14.1305 1.7297 1.7297 3.0320 3.0320 3.4983 3.4983 5.0601 5.0601 6.1026 6.1026 k = 0.0000 0.4688-0.0000 ( 1990 PWs) bands (ev): -33.7991 -33.7991 -16.2693 -16.2693 -15.3645 -15.3645 -14.1305 -14.1305 1.7546 1.7546 3.0134 3.0134 3.4946 3.4946 5.0532 5.0532 6.1027 6.1027 k = 0.0000 0.4844-0.0000 ( 1986 PWs) bands (ev): -33.7991 -33.7991 -16.2693 -16.2693 -15.3646 -15.3646 -14.1305 -14.1305 1.7700 1.7700 3.0015 3.0015 3.4924 3.4924 5.0490 5.0490 6.1030 6.1030 k = 0.0000 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2694 -16.2694 -15.3646 -15.3646 -14.1305 -14.1305 1.7753 1.7753 2.9974 2.9974 3.4917 3.4917 5.0476 5.0476 6.1031 6.1031 k = 0.0000 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2694 -16.2694 -15.3646 -15.3646 -14.1305 -14.1305 1.7753 1.7753 2.9974 2.9974 3.4917 3.4917 5.0476 5.0476 6.1031 6.1031 k = 0.0156 0.5000-0.0000 ( 1986 PWs) bands (ev): -33.7991 -33.7991 -16.2694 -16.2694 -15.3646 -15.3646 -14.1305 -14.1305 1.7772 1.7772 2.9980 2.9980 3.4921 3.4921 5.0453 5.0453 6.1032 6.1032 k = 0.0312 0.5000-0.0000 ( 1980 PWs) bands (ev): -33.7991 -33.7991 -16.2694 -16.2694 -15.3647 -15.3647 -14.1305 -14.1305 1.7830 1.7830 2.9995 2.9995 3.4933 3.4933 5.0384 5.0384 6.1035 6.1035 k = 0.0469 0.5000-0.0000 ( 1976 PWs) bands (ev): -33.7991 -33.7991 -16.2695 -16.2695 -15.3649 -15.3649 -14.1305 -14.1305 1.7926 1.7926 3.0022 3.0022 3.4954 3.4954 5.0269 5.0269 6.1039 6.1039 k = 0.0625 0.5000-0.0000 ( 1980 PWs) bands (ev): -33.7991 -33.7991 -16.2697 -16.2697 -15.3651 -15.3651 -14.1306 -14.1306 1.8060 1.8060 3.0059 3.0059 3.4983 3.4983 5.0112 5.0112 6.1044 6.1044 k = 0.0781 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2699 -16.2699 -15.3653 -15.3653 -14.1306 -14.1306 1.8231 1.8231 3.0106 3.0106 3.5021 3.5021 4.9913 4.9913 6.1051 6.1051 k = 0.0938 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2701 -16.2701 -15.3656 -15.3656 -14.1306 -14.1306 1.8438 1.8438 3.0163 3.0163 3.5068 3.5068 4.9677 4.9677 6.1058 6.1058 k = 0.1094 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2704 -16.2704 -15.3660 -15.3660 -14.1306 -14.1306 1.8680 1.8680 3.0231 3.0231 3.5125 3.5125 4.9405 4.9405 6.1065 6.1065 k = 0.1250 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7990 -33.7990 -16.2706 -16.2706 -15.3664 -15.3664 -14.1306 -14.1306 1.8956 1.8956 3.0309 3.0309 3.5193 3.5193 4.9101 4.9101 6.1071 6.1071 k = 0.1406 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7990 -33.7990 -16.2710 -16.2710 -15.3668 -15.3668 -14.1307 -14.1307 1.9264 1.9264 3.0396 3.0396 3.5271 3.5271 4.8770 4.8770 6.1076 6.1076 k = 0.1562 0.5000-0.0000 ( 1986 PWs) bands (ev): -33.7990 -33.7990 -16.2713 -16.2713 -15.3673 -15.3673 -14.1307 -14.1307 1.9602 1.9602 3.0493 3.0493 3.5362 3.5362 4.8415 4.8415 6.1079 6.1079 k = 0.1719 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7990 -33.7990 -16.2717 -16.2717 -15.3678 -15.3678 -14.1307 -14.1307 1.9968 1.9968 3.0599 3.0599 3.5467 3.5467 4.8039 4.8039 6.1078 6.1078 k = 0.1875 0.5000-0.0000 ( 1978 PWs) bands (ev): -33.7989 -33.7989 -16.2721 -16.2721 -15.3684 -15.3684 -14.1308 -14.1308 2.0359 2.0359 3.0714 3.0714 3.5587 3.5587 4.7647 4.7647 6.1072 6.1072 k = 0.2031 0.5000-0.0000 ( 1978 PWs) bands (ev): -33.7989 -33.7989 -16.2725 -16.2725 -15.3689 -15.3689 -14.1308 -14.1308 2.0773 2.0773 3.0837 3.0837 3.5722 3.5722 4.7241 4.7241 6.1058 6.1058 k = 0.2188 0.5000-0.0000 ( 1976 PWs) bands (ev): -33.7989 -33.7989 -16.2729 -16.2729 -15.3695 -15.3695 -14.1308 -14.1308 2.1205 2.1205 3.0968 3.0968 3.5876 3.5876 4.6826 4.6826 6.1035 6.1035 k = 0.2344 0.5000-0.0000 ( 1976 PWs) bands (ev): -33.7989 -33.7989 -16.2733 -16.2733 -15.3701 -15.3701 -14.1309 -14.1309 2.1652 2.1652 3.1107 3.1107 3.6050 3.6050 4.6406 4.6406 6.1000 6.1000 k = 0.2500 0.5000-0.0000 ( 1974 PWs) bands (ev): -33.7988 -33.7988 -16.2738 -16.2738 -15.3707 -15.3707 -14.1309 -14.1309 2.2110 2.2110 3.1252 3.1252 3.6246 3.6246 4.5982 4.5982 6.0947 6.0947 k = 0.2656 0.5000-0.0000 ( 1980 PWs) bands (ev): -33.7988 -33.7988 -16.2742 -16.2742 -15.3713 -15.3713 -14.1310 -14.1310 2.2574 2.2574 3.1404 3.1404 3.6466 3.6466 4.5559 4.5559 6.0874 6.0874 k = 0.2812 0.5000-0.0000 ( 1984 PWs) bands (ev): -33.7988 -33.7988 -16.2747 -16.2747 -15.3719 -15.3719 -14.1310 -14.1310 2.3039 2.3039 3.1560 3.1560 3.6712 3.6712 4.5140 4.5140 6.0771 6.0771 k = 0.2969 0.5000-0.0000 ( 1984 PWs) bands (ev): -33.7987 -33.7987 -16.2751 -16.2751 -15.3725 -15.3725 -14.1310 -14.1310 2.3499 2.3499 3.1721 3.1721 3.6987 3.6987 4.4728 4.4728 6.0632 6.0632 k = 0.3125 0.5000-0.0000 ( 1984 PWs) bands (ev): -33.7987 -33.7987 -16.2755 -16.2755 -15.3730 -15.3730 -14.1311 -14.1311 2.3949 2.3949 3.1885 3.1885 3.7291 3.7291 4.4326 4.4326 6.0446 6.0446 k = 0.3281 0.5000-0.0000 ( 1974 PWs) bands (ev): -33.7987 -33.7987 -16.2759 -16.2759 -15.3736 -15.3736 -14.1311 -14.1311 2.4383 2.4383 3.2050 3.2050 3.7626 3.7626 4.3937 4.3937 6.0201 6.0201 k = 0.3438 0.5000-0.0000 ( 1974 PWs) bands (ev): -33.7987 -33.7987 -16.2763 -16.2763 -15.3741 -15.3741 -14.1311 -14.1311 2.4795 2.4795 3.2215 3.2215 3.7989 3.7989 4.3565 4.3565 5.9883 5.9883 k = 0.3594 0.5000-0.0000 ( 1964 PWs) bands (ev): -33.7986 -33.7986 -16.2766 -16.2766 -15.3745 -15.3745 -14.1312 -14.1312 2.5180 2.5180 3.2378 3.2378 3.8380 3.8380 4.3215 4.3215 5.9485 5.9485 k = 0.3750 0.5000-0.0000 ( 1960 PWs) bands (ev): -33.7986 -33.7986 -16.2769 -16.2769 -15.3750 -15.3750 -14.1312 -14.1312 2.5534 2.5534 3.2536 3.2536 3.8792 3.8792 4.2889 4.2889 5.9003 5.9003 k = 0.3906 0.5000-0.0000 ( 1960 PWs) bands (ev): -33.7986 -33.7986 -16.2772 -16.2772 -15.3754 -15.3754 -14.1312 -14.1312 2.5853 2.5853 3.2688 3.2688 3.9218 3.9218 4.2594 4.2594 5.8450 5.8450 k = 0.4062 0.5000-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2775 -16.2775 -15.3757 -15.3757 -14.1312 -14.1312 2.6133 2.6133 3.2829 3.2829 3.9642 3.9642 4.2336 4.2336 5.7849 5.7849 k = 0.4219 0.5000-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2777 -16.2777 -15.3760 -15.3760 -14.1312 -14.1312 2.6373 2.6373 3.2957 3.2957 4.0045 4.0045 4.2124 4.2124 5.7235 5.7235 k = 0.4375 0.5000-0.0000 ( 1960 PWs) bands (ev): -33.7986 -33.7986 -16.2779 -16.2779 -15.3763 -15.3763 -14.1313 -14.1313 2.6570 2.6570 3.3068 3.3068 4.0399 4.0399 4.1972 4.1972 5.6650 5.6650 k = 0.4531 0.5000-0.0000 ( 1964 PWs) bands (ev): -33.7985 -33.7985 -16.2781 -16.2781 -15.3765 -15.3765 -14.1313 -14.1313 2.6723 2.6723 3.3159 3.3159 4.0667 4.0667 4.1897 4.1897 5.6135 5.6135 k = 0.4688 0.5000-0.0000 ( 1964 PWs) bands (ev): -33.7985 -33.7985 -16.2782 -16.2782 -15.3766 -15.3766 -14.1313 -14.1313 2.6833 2.6833 3.3226 3.3226 4.0826 4.0826 4.1899 4.1899 5.5731 5.5731 k = 0.4844 0.5000-0.0000 ( 1964 PWs) bands (ev): -33.7985 -33.7985 -16.2782 -16.2782 -15.3767 -15.3767 -14.1313 -14.1313 2.6899 2.6899 3.3268 3.3268 4.0893 4.0893 4.1939 4.1939 5.5473 5.5473 k = 0.5000 0.5000-0.0000 ( 1972 PWs) bands (ev): -33.7985 -33.7985 -16.2783 -16.2783 -15.3767 -15.3767 -14.1313 -14.1313 2.6921 2.6921 3.3282 3.3282 4.0910 4.0910 4.1960 4.1960 5.5383 5.5383 k = 0.5000 0.5000-0.0000 ( 1972 PWs) bands (ev): -33.7985 -33.7985 -16.2783 -16.2783 -15.3767 -15.3767 -14.1313 -14.1313 2.6921 2.6921 3.3282 3.3282 4.0910 4.0910 4.1960 4.1960 5.5383 5.5383 k = 0.4891 0.4891-0.0000 ( 1966 PWs) bands (ev): -33.7985 -33.7985 -16.2782 -16.2782 -15.3767 -15.3767 -14.1313 -14.1313 2.6900 2.6900 3.3268 3.3268 4.0896 4.0896 4.1938 4.1938 5.5470 5.5470 k = 0.4783 0.4783-0.0000 ( 1964 PWs) bands (ev): -33.7985 -33.7985 -16.2782 -16.2782 -15.3766 -15.3766 -14.1313 -14.1313 2.6835 2.6835 3.3229 3.3229 4.0854 4.0854 4.1873 4.1873 5.5724 5.5724 k = 0.4674 0.4674-0.0000 ( 1964 PWs) bands (ev): -33.7985 -33.7985 -16.2781 -16.2781 -15.3765 -15.3765 -14.1313 -14.1313 2.6723 2.6723 3.3166 3.3166 4.0790 4.0790 4.1777 4.1777 5.6133 5.6133 k = 0.4565 0.4565-0.0000 ( 1968 PWs) bands (ev): -33.7986 -33.7986 -16.2779 -16.2779 -15.3763 -15.3763 -14.1313 -14.1313 2.6559 2.6559 3.3084 3.3084 4.0712 4.0712 4.1659 4.1659 5.6675 5.6675 k = 0.4457 0.4457-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2777 -16.2777 -15.3760 -15.3760 -14.1313 -14.1313 2.6339 2.6339 3.2991 3.2991 4.0629 4.0629 4.1530 4.1530 5.7330 5.7330 k = 0.4348 0.4348-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2775 -16.2775 -15.3757 -15.3757 -14.1312 -14.1312 2.6057 2.6057 3.2894 3.2894 4.0553 4.0553 4.1396 4.1396 5.8073 5.8073 k = 0.4239 0.4239-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2773 -16.2773 -15.3754 -15.3754 -14.1312 -14.1312 2.5710 2.5710 3.2801 3.2801 4.0494 4.0494 4.1264 4.1264 5.8885 5.8885 k = 0.4130 0.4130-0.0000 ( 1962 PWs) bands (ev): -33.7986 -33.7986 -16.2770 -16.2770 -15.3750 -15.3750 -14.1312 -14.1312 2.5296 2.5296 3.2720 3.2720 4.0455 4.0455 4.1140 4.1140 5.9747 5.9747 k = 0.4022 0.4022-0.0000 ( 1960 PWs) bands (ev): -33.7986 -33.7986 -16.2766 -16.2766 -15.3745 -15.3745 -14.1312 -14.1312 2.4817 2.4817 3.2655 3.2655 4.0430 4.0430 4.1040 4.1040 6.0641 6.0641 k = 0.3913 0.3913-0.0000 ( 1966 PWs) bands (ev): -33.7987 -33.7987 -16.2762 -16.2762 -15.3741 -15.3741 -14.1311 -14.1311 2.4278 2.4278 3.2609 3.2609 4.0394 4.0394 4.0991 4.0991 6.1551 6.1551 k = 0.3804 0.3804-0.0000 ( 1970 PWs) bands (ev): -33.7987 -33.7987 -16.2758 -16.2758 -15.3735 -15.3735 -14.1311 -14.1311 2.3685 2.3685 3.2582 3.2582 4.0320 4.0320 4.1026 4.1026 6.2466 6.2466 k = 0.3696 0.3696-0.0000 ( 1967 PWs) bands (ev): -33.7987 -33.7987 -16.2754 -16.2754 -15.3729 -15.3729 -14.1311 -14.1311 2.3047 2.3047 3.2574 3.2574 4.0206 4.0206 4.1147 4.1147 6.3371 6.3371 k = 0.3587 0.3587-0.0000 ( 1971 PWs) bands (ev): -33.7988 -33.7988 -16.2749 -16.2749 -15.3723 -15.3723 -14.1310 -14.1310 2.2372 2.2372 3.2580 3.2580 4.0065 4.0065 4.1343 4.1343 6.4256 6.4256 k = 0.3478 0.3478-0.0000 ( 1965 PWs) bands (ev): -33.7988 -33.7988 -16.2744 -16.2744 -15.3717 -15.3717 -14.1310 -14.1310 2.1668 2.1668 3.2599 3.2599 3.9910 3.9910 4.1600 4.1600 6.5110 6.5110 k = 0.3370 0.3370-0.0000 ( 1963 PWs) bands (ev): -33.7988 -33.7988 -16.2739 -16.2739 -15.3710 -15.3710 -14.1309 -14.1309 2.0944 2.0944 3.2628 3.2628 3.9749 3.9749 4.1913 4.1913 6.5924 6.5924 k = 0.3261 0.3261-0.0000 ( 1963 PWs) bands (ev): -33.7989 -33.7989 -16.2734 -16.2734 -15.3702 -15.3702 -14.1309 -14.1309 2.0207 2.0207 3.2663 3.2663 3.9585 3.9585 4.2277 4.2277 6.6690 6.6690 k = 0.3152 0.3152-0.0000 ( 1967 PWs) bands (ev): -33.7989 -33.7989 -16.2728 -16.2728 -15.3695 -15.3695 -14.1308 -14.1308 1.9462 1.9462 3.2701 3.2701 3.9421 3.9421 4.2688 4.2688 6.7402 6.7402 k = 0.3043 0.3043-0.0000 ( 1969 PWs) bands (ev): -33.7989 -33.7989 -16.2722 -16.2722 -15.3687 -15.3687 -14.1308 -14.1308 1.8716 1.8716 3.2742 3.2742 3.9258 3.9258 4.3146 4.3146 6.8055 6.8055 k = 0.2935 0.2935-0.0000 ( 1973 PWs) bands (ev): -33.7990 -33.7990 -16.2716 -16.2716 -15.3679 -15.3679 -14.1307 -14.1307 1.7973 1.7973 3.2783 3.2783 3.9098 3.9098 4.3647 4.3647 6.8645 6.8645 k = 0.2826 0.2826-0.0000 ( 1973 PWs) bands (ev): -33.7990 -33.7990 -16.2710 -16.2710 -15.3671 -15.3671 -14.1307 -14.1307 1.7237 1.7237 3.2823 3.2823 3.8942 3.8942 4.4188 4.4188 6.9174 6.9174 k = 0.2717 0.2717-0.0000 ( 1971 PWs) bands (ev): -33.7990 -33.7990 -16.2704 -16.2704 -15.3663 -15.3663 -14.1306 -14.1306 1.6511 1.6511 3.2861 3.2861 3.8790 3.8790 4.4769 4.4769 6.9641 6.9641 k = 0.2609 0.2609-0.0000 ( 1975 PWs) bands (ev): -33.7991 -33.7991 -16.2698 -16.2698 -15.3655 -15.3655 -14.1306 -14.1306 1.5799 1.5799 3.2898 3.2898 3.8644 3.8644 4.5385 4.5385 7.0051 7.0051 k = 0.2500 0.2500-0.0000 ( 1971 PWs) bands (ev): -33.7991 -33.7991 -16.2691 -16.2691 -15.3647 -15.3647 -14.1305 -14.1305 1.5103 1.5103 3.2931 3.2931 3.8504 3.8504 4.6034 4.6034 7.0406 7.0406 k = 0.2391 0.2391-0.0000 ( 1965 PWs) bands (ev): -33.7992 -33.7992 -16.2685 -16.2685 -15.3638 -15.3638 -14.1305 -14.1305 1.4425 1.4425 3.2962 3.2962 3.8370 3.8370 4.6713 4.6713 7.0712 7.0712 k = 0.2283 0.2283-0.0000 ( 1969 PWs) bands (ev): -33.7992 -33.7992 -16.2679 -16.2679 -15.3630 -15.3630 -14.1304 -14.1304 1.3768 1.3768 3.2989 3.2989 3.8243 3.8243 4.7419 4.7419 7.0975 7.0975 k = 0.2174 0.2174-0.0000 ( 1965 PWs) bands (ev): -33.7992 -33.7992 -16.2672 -16.2672 -15.3622 -15.3622 -14.1304 -14.1304 1.3134 1.3134 3.3014 3.3014 3.8123 3.8123 4.8149 4.8149 7.1199 7.1199 k = 0.2065 0.2065-0.0000 ( 1965 PWs) bands (ev): -33.7993 -33.7993 -16.2666 -16.2666 -15.3613 -15.3613 -14.1303 -14.1303 1.2522 1.2522 3.3037 3.3037 3.8010 3.8010 4.8898 4.8898 7.1393 7.1393 k = 0.1957 0.1957-0.0000 ( 1967 PWs) bands (ev): -33.7993 -33.7993 -16.2660 -16.2660 -15.3605 -15.3605 -14.1303 -14.1303 1.1936 1.1936 3.3056 3.3056 3.7904 3.7904 4.9663 4.9663 7.1561 7.1561 k = 0.1848 0.1848-0.0000 ( 1973 PWs) bands (ev): -33.7994 -33.7994 -16.2654 -16.2654 -15.3598 -15.3598 -14.1302 -14.1302 1.1377 1.1377 3.3074 3.3074 3.7805 3.7805 5.0439 5.0439 7.1710 7.1710 k = 0.1739 0.1739-0.0000 ( 1977 PWs) bands (ev): -33.7994 -33.7994 -16.2649 -16.2649 -15.3590 -15.3590 -14.1302 -14.1302 1.0844 1.0844 3.3089 3.3089 3.7714 3.7714 5.1220 5.1220 7.1846 7.1846 k = 0.1630 0.1630-0.0000 ( 1973 PWs) bands (ev): -33.7994 -33.7994 -16.2643 -16.2643 -15.3583 -15.3583 -14.1301 -14.1301 1.0340 1.0340 3.3102 3.3102 3.7630 3.7630 5.2003 5.2003 7.1975 7.1975 k = 0.1522 0.1522-0.0000 ( 1973 PWs) bands (ev): -33.7995 -33.7995 -16.2638 -16.2638 -15.3576 -15.3576 -14.1301 -14.1301 0.9865 0.9865 3.3113 3.3113 3.7552 3.7552 5.2780 5.2780 7.2101 7.2101 k = 0.1413 0.1413-0.0000 ( 1975 PWs) bands (ev): -33.7995 -33.7995 -16.2633 -16.2633 -15.3569 -15.3569 -14.1300 -14.1300 0.9420 0.9420 3.3123 3.3123 3.7482 3.7482 5.3544 5.3544 7.2230 7.2230 k = 0.1304 0.1304-0.0000 ( 1975 PWs) bands (ev): -33.7995 -33.7995 -16.2628 -16.2628 -15.3562 -15.3562 -14.1300 -14.1300 0.9005 0.9005 3.3131 3.3131 3.7418 3.7418 5.4290 5.4290 7.2366 7.2366 k = 0.1196 0.1196-0.0000 ( 1981 PWs) bands (ev): -33.7996 -33.7996 -16.2623 -16.2623 -15.3556 -15.3556 -14.1300 -14.1300 0.8622 0.8622 3.3138 3.3138 3.7360 3.7360 5.5010 5.5010 7.2510 7.2510 k = 0.1087 0.1087-0.0000 ( 1985 PWs) bands (ev): -33.7996 -33.7996 -16.2619 -16.2619 -15.3551 -15.3551 -14.1299 -14.1299 0.8270 0.8270 3.3144 3.3144 3.7309 3.7309 5.5696 5.5696 7.2664 7.2664 k = 0.0978 0.0978-0.0000 ( 1985 PWs) bands (ev): -33.7996 -33.7996 -16.2615 -16.2615 -15.3546 -15.3546 -14.1299 -14.1299 0.7950 0.7950 3.3149 3.3149 3.7263 3.7263 5.6340 5.6340 7.2828 7.2828 k = 0.0870 0.0870-0.0000 ( 1985 PWs) bands (ev): -33.7996 -33.7996 -16.2612 -16.2612 -15.3541 -15.3541 -14.1299 -14.1299 0.7663 0.7663 3.3153 3.3153 3.7224 3.7224 5.6936 5.6936 7.2997 7.2997 k = 0.0761 0.0761-0.0000 ( 1985 PWs) bands (ev): -33.7997 -33.7997 -16.2608 -16.2608 -15.3537 -15.3537 -14.1298 -14.1298 0.7409 0.7409 3.3156 3.3156 3.7189 3.7189 5.7476 5.7476 7.3168 7.3168 k = 0.0652 0.0652-0.0000 ( 1981 PWs) bands (ev): -33.7997 -33.7997 -16.2606 -16.2606 -15.3533 -15.3533 -14.1298 -14.1298 0.7188 0.7188 3.3159 3.3159 3.7160 3.7160 5.7954 5.7954 7.3332 7.3332 k = 0.0543 0.0543-0.0000 ( 1985 PWs) bands (ev): -33.7997 -33.7997 -16.2603 -16.2603 -15.3530 -15.3530 -14.1298 -14.1298 0.7001 0.7001 3.3161 3.3161 3.7135 3.7135 5.8365 5.8365 7.3479 7.3479 k = 0.0435 0.0435-0.0000 ( 1983 PWs) bands (ev): -33.7997 -33.7997 -16.2601 -16.2601 -15.3527 -15.3527 -14.1298 -14.1298 0.6847 0.6847 3.3162 3.3162 3.7116 3.7116 5.8706 5.8706 7.3603 7.3603 k = 0.0326 0.0326-0.0000 ( 1979 PWs) bands (ev): -33.7997 -33.7997 -16.2600 -16.2600 -15.3525 -15.3525 -14.1298 -14.1298 0.6728 0.6728 3.3164 3.3164 3.7100 3.7100 5.8973 5.8973 7.3698 7.3698 k = 0.0217 0.0217-0.0000 ( 1975 PWs) bands (ev): -33.7997 -33.7997 -16.2599 -16.2599 -15.3524 -15.3524 -14.1297 -14.1297 0.6642 0.6642 3.3164 3.3164 3.7090 3.7090 5.9165 5.9165 7.3764 7.3764 k = 0.0109 0.0109-0.0000 ( 1967 PWs) bands (ev): -33.7997 -33.7997 -16.2598 -16.2598 -15.3523 -15.3523 -14.1297 -14.1297 0.6591 0.6591 3.3165 3.3165 3.7083 3.7083 5.9280 5.9280 7.3802 7.3802 k = 0.0000 0.0000 0.0000 ( 1967 PWs) bands (ev): -33.7997 -33.7997 -16.2598 -16.2598 -15.3523 -15.3523 -14.1297 -14.1297 0.6574 0.6574 3.3165 3.3165 3.7081 3.7081 5.9319 5.9319 7.3814 7.3814 k = 0.0000 0.0000 0.0000 ( 1967 PWs) bands (ev): -33.7997 -33.7997 -16.2598 -16.2598 -15.3523 -15.3523 -14.1297 -14.1297 0.6574 0.6574 3.3165 3.3165 3.7081 3.7081 5.9319 5.9319 7.3814 7.3814 k = 0.0000 0.0000 0.0156 ( 1967 PWs) bands (ev): -33.7994 -33.7994 -16.2597 -16.2597 -15.3519 -15.3519 -14.1325 -14.1325 0.6596 0.6596 3.3216 3.3216 3.7095 3.7095 5.9330 5.9330 7.3790 7.3790 k = 0.0000 0.0000 0.0312 ( 1967 PWs) bands (ev): -33.7983 -33.7983 -16.2593 -16.2593 -15.3509 -15.3509 -14.1406 -14.1406 0.6663 0.6663 3.3369 3.3369 3.7134 3.7134 5.9362 5.9362 7.3717 7.3717 k = 0.0000 0.0000 0.0468 ( 1967 PWs) bands (ev): -33.7964 -33.7964 -16.2588 -16.2588 -15.3491 -15.3491 -14.1542 -14.1542 0.6774 0.6774 3.3623 3.3623 3.7200 3.7200 5.9415 5.9415 7.3594 7.3594 k = 0.0000 0.0000 0.0623 ( 1967 PWs) bands (ev): -33.7938 -33.7938 -16.2581 -16.2581 -15.3466 -15.3466 -14.1730 -14.1730 0.6929 0.6929 3.3978 3.3978 3.7292 3.7292 5.9490 5.9490 7.3419 7.3419 k = 0.0000 0.0000 0.0779 ( 1975 PWs) bands (ev): -33.7906 -33.7906 -16.2572 -16.2572 -15.3435 -15.3435 -14.1970 -14.1970 0.7126 0.7126 3.4435 3.4435 3.7410 3.7410 5.9586 5.9586 7.3190 7.3190 k = 0.0000 0.0000 0.0935 ( 1983 PWs) bands (ev): -33.7866 -33.7866 -16.2561 -16.2561 -15.3396 -15.3396 -14.2260 -14.2260 0.7363 0.7363 3.4991 3.4991 3.7555 3.7555 5.9704 5.9704 7.2904 7.2904 k = 0.0000 0.0000 0.1091 ( 1983 PWs) bands (ev): -33.7818 -33.7818 -16.2550 -16.2550 -15.3351 -15.3351 -14.2597 -14.2597 0.7641 0.7641 3.5648 3.5648 3.7726 3.7726 5.9842 5.9842 7.2558 7.2558 k = 0.0000 0.0000 0.1247 ( 1999 PWs) bands (ev): -33.7764 -33.7764 -16.2538 -16.2538 -15.3299 -15.3299 -14.2979 -14.2979 0.7956 0.7956 3.6403 3.6403 3.7922 3.7922 6.0001 6.0001 7.2149 7.2149 k = 0.0000 0.0000 0.1403 ( 1991 PWs) bands (ev): -33.7704 -33.7704 -16.2526 -16.2526 -15.3241 -15.3241 -14.3404 -14.3404 0.8308 0.8308 3.7255 3.7255 3.8145 3.8145 6.0181 6.0181 7.1676 7.1676 k = 0.0000 0.0000 0.1558 ( 1995 PWs) bands (ev): -33.7636 -33.7636 -16.2515 -16.2515 -15.3176 -15.3176 -14.3868 -14.3868 0.8694 0.8694 3.8204 3.8204 3.8394 3.8394 6.0382 6.0382 7.1135 7.1135 k = 0.0000 0.0000 0.1714 ( 1995 PWs) bands (ev): -33.7562 -33.7562 -16.2507 -16.2507 -15.3105 -15.3105 -14.4368 -14.4368 0.9113 0.9113 3.8668 3.8668 3.9245 3.9245 6.0603 6.0603 7.0527 7.0527 k = 0.0000 0.0000 0.1870 ( 1995 PWs) bands (ev): -33.7482 -33.7482 -16.2500 -16.2500 -15.3029 -15.3029 -14.4900 -14.4900 0.9564 0.9564 3.8968 3.8968 4.0379 4.0379 6.0843 6.0843 6.9851 6.9851 k = 0.0000 0.0000 0.2026 ( 1991 PWs) bands (ev): -33.7396 -33.7396 -16.2498 -16.2498 -15.2946 -15.2946 -14.5461 -14.5461 1.0044 1.0044 3.9294 3.9294 4.1600 4.1600 6.1104 6.1104 6.9108 6.9108 k = 0.0000 0.0000 0.2182 ( 1971 PWs) bands (ev): -33.7304 -33.7304 -16.2501 -16.2501 -15.2858 -15.2858 -14.6046 -14.6046 1.0554 1.0554 3.9645 3.9645 4.2908 4.2908 6.1384 6.1384 6.8302 6.8302 k = 0.0000 0.0000 0.2338 ( 1971 PWs) bands (ev): -33.7207 -33.7207 -16.2511 -16.2511 -15.2764 -15.2764 -14.6650 -14.6650 1.1092 1.1092 4.0021 4.0021 4.4296 4.4296 6.1683 6.1683 6.7437 6.7437 k = 0.0000 0.0000 0.2494 ( 1971 PWs) bands (ev): -33.7104 -33.7104 -16.2530 -16.2530 -15.2666 -15.2666 -14.7270 -14.7270 1.1656 1.1656 4.0422 4.0422 4.5762 4.5762 6.2001 6.2001 6.6516 6.6516 k = 0.0000 0.0000 0.2649 ( 1975 PWs) bands (ev): -33.6996 -33.6996 -16.2560 -16.2560 -15.2562 -15.2562 -14.7899 -14.7899 1.2247 1.2247 4.0848 4.0848 4.7300 4.7300 6.2337 6.2337 6.5546 6.5546 k = 0.0000 0.0000 0.2805 ( 1975 PWs) bands (ev): -33.6883 -33.6883 -16.2603 -16.2603 -15.2454 -15.2454 -14.8533 -14.8533 1.2863 1.2863 4.1298 4.1298 4.8905 4.8905 6.2689 6.2689 6.4534 6.4534 k = 0.0000 0.0000 0.2961 ( 1975 PWs) bands (ev): -33.6766 -33.6766 -16.2663 -16.2663 -15.2342 -15.2342 -14.9167 -14.9167 1.3503 1.3503 4.1773 4.1773 5.0572 5.0572 6.3054 6.3054 6.3485 6.3485 k = 0.0000 0.0000 0.3117 ( 1975 PWs) bands (ev): -33.6645 -33.6645 -16.2741 -16.2741 -15.2226 -15.2226 -14.9793 -14.9793 1.4169 1.4169 4.2271 4.2271 5.2292 5.2292 6.2407 6.2407 6.3251 6.3251 k = 0.0000 0.0000 0.3273 ( 1983 PWs) bands (ev): -33.6520 -33.6520 -16.2843 -16.2843 -15.2107 -15.2107 -15.0407 -15.0407 1.4858 1.4858 4.2793 4.2793 5.4058 5.4058 6.1307 6.1307 6.2200 6.2200 k = 0.0000 0.0000 0.3429 ( 1975 PWs) bands (ev): -33.6392 -33.6392 -16.2970 -16.2970 -15.1984 -15.1984 -15.1001 -15.1001 1.5572 1.5572 4.3338 4.3338 5.5857 5.5857 6.0195 6.0195 6.1048 6.1048 k = 0.0000 0.0000 0.3584 ( 1967 PWs) bands (ev): -33.6260 -33.6260 -16.3128 -16.3128 -15.1858 -15.1858 -15.1570 -15.1570 1.6310 1.6310 4.3906 4.3906 5.7644 5.7644 5.9112 5.9112 5.9881 5.9881 k = 0.0000 0.0000 0.3740 ( 1963 PWs) bands (ev): -33.6126 -33.6126 -16.3320 -16.3320 -15.2107 -15.2107 -15.1730 -15.1730 1.7071 1.7071 4.4496 4.4496 5.7836 5.7836 5.8707 5.8707 5.9637 5.9637 k = 0.0000 0.0000 0.3896 ( 1967 PWs) bands (ev): -33.5990 -33.5990 -16.3548 -16.3548 -15.2607 -15.2607 -15.1600 -15.1600 1.7857 1.7857 4.5108 4.5108 5.6732 5.6732 5.7531 5.7531 6.1463 6.1463 k = 0.0000 0.0000 0.4052 ( 1967 PWs) bands (ev): -33.5852 -33.5852 -16.3816 -16.3816 -15.3065 -15.3065 -15.1468 -15.1468 1.8666 1.8666 4.5742 4.5742 5.5603 5.5603 5.6360 5.6360 6.3309 6.3309 k = 0.0000 0.0000 0.4208 ( 1963 PWs) bands (ev): -33.5712 -33.5712 -16.4124 -16.4124 -15.3478 -15.3478 -15.1335 -15.1335 1.9499 1.9499 4.6396 4.6396 5.4476 5.4476 5.5197 5.5197 6.5136 6.5136 k = 0.0000 0.0000 0.4364 ( 1963 PWs) bands (ev): -33.5571 -33.5571 -16.4473 -16.4473 -15.3844 -15.3844 -15.1201 -15.1201 2.0355 2.0355 4.7069 4.7069 5.3360 5.3360 5.4047 5.4047 6.6919 6.6919 k = 0.0000 0.0000 0.4519 ( 1971 PWs) bands (ev): -33.5430 -33.5430 -16.4860 -16.4860 -15.4163 -15.4163 -15.1066 -15.1066 2.1236 2.1236 4.7762 4.7762 5.2257 5.2257 5.2913 5.2913 6.7609 6.7609 k = 0.0000 0.0000 0.4675 ( 1967 PWs) bands (ev): -33.5289 -33.5289 -16.5282 -16.5282 -15.4435 -15.4435 -15.0931 -15.0931 2.2141 2.2141 4.8472 4.8472 5.1173 5.1173 5.1800 5.1800 6.8126 6.8126 k = 0.0000 0.0000 0.4831 ( 1979 PWs) bands (ev): -33.5148 -33.5148 -16.5736 -16.5736 -15.4663 -15.4663 -15.0797 -15.0797 2.3069 2.3069 4.9195 4.9195 5.0110 5.0110 5.0713 5.0713 6.8650 6.8650 k = 0.0000 0.0000 0.4987 ( 1979 PWs) bands (ev): -33.5008 -33.5008 -16.6217 -16.6217 -15.4852 -15.4852 -15.0663 -15.0663 2.4021 2.4021 4.9072 4.9072 4.9590 4.9590 4.9996 4.9996 6.9180 6.9180 k = 0.0000 0.0000 0.5143 ( 1987 PWs) bands (ev): -33.4869 -33.4869 -16.6717 -16.6717 -15.5003 -15.5003 -15.0531 -15.0531 2.4998 2.4998 4.8060 4.8060 4.8588 4.8588 5.0719 5.0719 6.9714 6.9714 k = 0.0000 0.0000 0.5299 ( 1983 PWs) bands (ev): -33.4731 -33.4731 -16.7232 -16.7232 -15.5123 -15.5123 -15.0400 -15.0400 2.5998 2.5998 4.7077 4.7077 4.7582 4.7582 5.1490 5.1490 7.0251 7.0251 k = 0.0000 0.0000 0.5455 ( 1983 PWs) bands (ev): -33.4596 -33.4596 -16.7756 -16.7756 -15.5215 -15.5215 -15.0271 -15.0271 2.7021 2.7021 4.6125 4.6125 4.6606 4.6606 5.2275 5.2275 7.0789 7.0789 k = 0.0000 0.0000 0.5610 ( 1983 PWs) bands (ev): -33.4463 -33.4463 -16.8284 -16.8284 -15.5283 -15.5283 -15.0145 -15.0145 2.8069 2.8069 4.5207 4.5207 4.5664 4.5664 5.3071 5.3071 7.1326 7.1326 k = 0.0000 0.0000 0.5766 ( 1983 PWs) bands (ev): -33.4334 -33.4334 -16.8810 -16.8810 -15.5331 -15.5331 -15.0022 -15.0022 2.9139 2.9139 4.4323 4.4323 4.4757 4.4757 5.3876 5.3876 7.1860 7.1860 k = 0.0000 0.0000 0.5922 ( 1979 PWs) bands (ev): -33.4207 -33.4207 -16.9331 -16.9331 -15.5363 -15.5363 -14.9902 -14.9902 3.0233 3.0233 4.3476 4.3476 4.3888 4.3888 5.4687 5.4687 7.2389 7.2389 k = 0.0000 0.0000 0.6078 ( 1979 PWs) bands (ev): -33.4085 -33.4085 -16.9841 -16.9841 -15.5380 -15.5380 -14.9785 -14.9785 3.1350 3.1350 4.2667 4.2667 4.3058 4.3058 5.5502 5.5502 7.2912 7.2912 k = 0.0000 0.0000 0.6234 ( 1979 PWs) bands (ev): -33.3967 -33.3967 -17.0338 -17.0338 -15.5387 -15.5387 -14.9673 -14.9673 3.2489 3.2489 4.1898 4.1898 4.2268 4.2268 5.6317 5.6317 7.3425 7.3425 k = 0.0000 0.0000 0.6390 ( 1970 PWs) bands (ev): -33.3854 -33.3854 -17.0818 -17.0818 -15.5384 -15.5384 -14.9566 -14.9566 3.3650 3.3650 4.1170 4.1170 4.1520 4.1520 5.7130 5.7130 7.3926 7.3926 k = 0.0000 0.0000 0.6545 ( 1962 PWs) bands (ev): -33.3746 -33.3746 -17.1279 -17.1279 -15.5374 -15.5374 -14.9464 -14.9464 3.4831 3.4831 4.0484 4.0484 4.0815 4.0815 5.7937 5.7937 7.3946 7.3946 k = 0.0000 0.0000 0.6701 ( 1962 PWs) bands (ev): -33.3644 -33.3644 -17.1717 -17.1717 -15.5359 -15.5359 -14.9366 -14.9366 3.6033 3.6033 3.9842 3.9842 4.0155 4.0155 5.8733 5.8733 7.2911 7.2911 k = 0.0000 0.0000 0.6857 ( 1954 PWs) bands (ev): -33.3548 -33.3548 -17.2130 -17.2130 -15.5341 -15.5341 -14.9275 -14.9275 3.7249 3.7249 3.9249 3.9249 3.9539 3.9539 5.9514 5.9514 7.1769 7.1769 k = 0.0000 0.0000 0.7013 ( 1954 PWs) bands (ev): -33.3457 -33.3457 -17.2517 -17.2517 -15.5319 -15.5319 -14.9190 -14.9190 3.8397 3.8397 3.8788 3.8788 3.8969 3.8969 6.0274 6.0274 7.0543 7.0543 k = 0.0000 0.0000 0.7169 ( 1954 PWs) bands (ev): -33.3374 -33.3374 -17.2876 -17.2876 -15.5297 -15.5297 -14.9110 -14.9110 3.8150 3.8150 3.8447 3.8447 3.9784 3.9784 6.1007 6.1007 6.9253 6.9253 k = 0.0000 0.0000 0.7325 ( 1962 PWs) bands (ev): -33.3297 -33.3297 -17.3205 -17.3205 -15.5274 -15.5274 -14.9038 -14.9038 3.7696 3.7696 3.7971 3.7971 4.1047 4.1047 6.1707 6.1707 6.7917 6.7917 k = 0.0000 0.0000 0.7481 ( 1954 PWs) bands (ev): -33.3228 -33.3228 -17.3502 -17.3502 -15.5251 -15.5251 -14.8972 -14.8972 3.7283 3.7283 3.7544 3.7544 4.2328 4.2328 6.2366 6.2366 6.6549 6.6549 k = 0.0000 0.0000 0.7636 ( 1954 PWs) bands (ev): -33.3166 -33.3166 -17.3768 -17.3768 -15.5230 -15.5230 -14.8914 -14.8914 3.6915 3.6915 3.7166 3.7166 4.3618 4.3618 6.2976 6.2976 6.5165 6.5165 k = 0.0000 0.0000 0.7792 ( 1958 PWs) bands (ev): -33.3112 -33.3112 -17.4000 -17.4000 -15.5210 -15.5210 -14.8863 -14.8863 3.6596 3.6596 3.6837 3.6837 4.4907 4.4907 6.3529 6.3529 6.3780 6.3780 k = 0.0000 0.0000 0.7948 ( 1958 PWs) bands (ev): -33.3066 -33.3066 -17.4197 -17.4197 -15.5192 -15.5192 -14.8819 -14.8819 3.6324 3.6324 3.6558 3.6558 4.6186 4.6186 6.2412 6.2412 6.4016 6.4016 k = 0.0000 0.0000 0.8104 ( 1966 PWs) bands (ev): -33.3028 -33.3028 -17.4360 -17.4360 -15.5177 -15.5177 -14.8783 -14.8783 3.6102 3.6102 3.6329 3.6329 4.7434 4.7434 6.1084 6.1084 6.4428 6.4428 k = 0.0000 0.0000 0.8260 ( 1978 PWs) bands (ev): -33.2999 -33.2999 -17.4487 -17.4487 -15.5165 -15.5165 -14.8755 -14.8755 3.5928 3.5928 3.6151 3.6151 4.8615 4.8615 5.9837 5.9837 6.4759 6.4759 k = 0.0000 0.0000 0.8416 ( 1974 PWs) bands (ev): -33.2977 -33.2977 -17.4578 -17.4578 -15.5156 -15.5156 -14.8735 -14.8735 3.5804 3.5804 3.6024 3.6024 4.9660 4.9660 5.8743 5.8743 6.5001 6.5001 k = 0.0000 0.0000 0.8571 ( 1986 PWs) bands (ev): -33.2965 -33.2965 -17.4633 -17.4633 -15.5151 -15.5151 -14.8723 -14.8723 3.5729 3.5729 3.5947 3.5947 5.0434 5.0434 5.7939 5.7939 6.5148 6.5148 k = 0.0000 0.0000 0.8727 ( 1978 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5149 -15.5149 -14.8719 -14.8719 3.5704 3.5704 3.5921 3.5921 5.0732 5.0732 5.7630 5.7630 6.5198 6.5198 k = 0.0000 0.0000 0.8727 ( 1978 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5149 -15.5149 -14.8719 -14.8719 3.5704 3.5704 3.5921 3.5921 5.0732 5.0732 5.7630 5.7630 6.5198 6.5198 k = 0.0000 0.0156 0.8727 ( 1984 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5150 -15.5150 -14.8719 -14.8719 3.5691 3.5691 3.5910 3.5910 5.0751 5.0751 5.7671 5.7671 6.5207 6.5207 k = 0.0000 0.0312 0.8727 ( 1984 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5150 -15.5150 -14.8719 -14.8719 3.5639 3.5639 3.5885 3.5885 5.0809 5.0809 5.7791 5.7791 6.5234 6.5234 k = 0.0000 0.0469 0.8727 ( 1976 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5151 -15.5151 -14.8720 -14.8720 3.5532 3.5532 3.5868 3.5868 5.0904 5.0904 5.7989 5.7989 6.5280 6.5280 k = 0.0000 0.0625 0.8727 ( 1972 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5152 -15.5152 -14.8721 -14.8721 3.5367 3.5367 3.5864 3.5864 5.1036 5.1036 5.8260 5.8260 6.5344 6.5344 k = 0.0000 0.0781 0.8727 ( 1976 PWs) bands (ev): -33.2960 -33.2960 -17.4650 -17.4650 -15.5153 -15.5153 -14.8723 -14.8723 3.5152 3.5152 3.5871 3.5871 5.1205 5.1205 5.8599 5.8599 6.5427 6.5427 k = 0.0000 0.0938 0.8727 ( 1976 PWs) bands (ev): -33.2960 -33.2960 -17.4650 -17.4650 -15.5154 -15.5154 -14.8725 -14.8725 3.4895 3.4895 3.5884 3.5884 5.1410 5.1410 5.9000 5.9000 6.5529 6.5529 k = 0.0000 0.1094 0.8727 ( 1964 PWs) bands (ev): -33.2960 -33.2960 -17.4649 -17.4649 -15.5156 -15.5156 -14.8727 -14.8727 3.4605 3.4605 3.5902 3.5902 5.1650 5.1650 5.9458 5.9458 6.5651 6.5651 k = 0.0000 0.1250 0.8727 ( 1960 PWs) bands (ev): -33.2960 -33.2960 -17.4649 -17.4649 -15.5158 -15.5158 -14.8730 -14.8730 3.4288 3.4288 3.5924 3.5924 5.1924 5.1924 5.9964 5.9964 6.5792 6.5792 k = 0.0000 0.1406 0.8727 ( 1964 PWs) bands (ev): -33.2959 -33.2959 -17.4648 -17.4648 -15.5160 -15.5160 -14.8733 -14.8733 3.3950 3.3950 3.5949 3.5949 5.2229 5.2229 6.0512 6.0512 6.5954 6.5954 k = 0.0000 0.1562 0.8727 ( 1960 PWs) bands (ev): -33.2959 -33.2959 -17.4647 -17.4647 -15.5163 -15.5163 -14.8736 -14.8736 3.3597 3.3597 3.5976 3.5976 5.2564 5.2564 6.1096 6.1096 6.6137 6.6137 k = 0.0000 0.1719 0.8727 ( 1948 PWs) bands (ev): -33.2959 -33.2959 -17.4647 -17.4647 -15.5165 -15.5165 -14.8739 -14.8739 3.3233 3.3233 3.6006 3.6006 5.2927 5.2927 6.1710 6.1710 6.6342 6.6342 k = 0.0000 0.1875 0.8727 ( 1952 PWs) bands (ev): -33.2959 -33.2959 -17.4646 -17.4646 -15.5168 -15.5168 -14.8742 -14.8742 3.2864 3.2864 3.6038 3.6038 5.3315 5.3315 6.2347 6.2347 6.6571 6.6571 k = 0.0000 0.2031 0.8727 ( 1956 PWs) bands (ev): -33.2959 -33.2959 -17.4645 -17.4645 -15.5171 -15.5171 -14.8746 -14.8746 3.2493 3.2493 3.6071 3.6071 5.3726 5.3726 6.3001 6.3001 6.6826 6.6826 k = 0.0000 0.2188 0.8727 ( 1964 PWs) bands (ev): -33.2959 -33.2959 -17.4644 -17.4644 -15.5174 -15.5174 -14.8749 -14.8749 3.2125 3.2125 3.6105 3.6105 5.4155 5.4155 6.3668 6.3668 6.7107 6.7107 k = 0.0000 0.2344 0.8727 ( 1960 PWs) bands (ev): -33.2958 -33.2958 -17.4643 -17.4643 -15.5177 -15.5177 -14.8753 -14.8753 3.1762 3.1762 3.6140 3.6140 5.4599 5.4599 6.4342 6.4342 6.7417 6.7417 k = 0.0000 0.2500 0.8727 ( 1964 PWs) bands (ev): -33.2958 -33.2958 -17.4642 -17.4642 -15.5180 -15.5180 -14.8757 -14.8757 3.1408 3.1408 3.6175 3.6175 5.5054 5.5054 6.5018 6.5018 6.7759 6.7759 k = 0.0000 0.2656 0.8727 ( 1960 PWs) bands (ev): -33.2958 -33.2958 -17.4642 -17.4642 -15.5183 -15.5183 -14.8761 -14.8761 3.1065 3.1065 3.6211 3.6211 5.5516 5.5516 6.5690 6.5690 6.8135 6.8135 k = 0.0000 0.2812 0.8727 ( 1960 PWs) bands (ev): -33.2958 -33.2958 -17.4641 -17.4641 -15.5186 -15.5186 -14.8764 -14.8764 3.0736 3.0736 3.6246 3.6246 5.5978 5.5978 6.6354 6.6354 6.8547 6.8547 k = 0.0000 0.2969 0.8727 ( 1962 PWs) bands (ev): -33.2957 -33.2957 -17.4640 -17.4640 -15.5189 -15.5189 -14.8768 -14.8768 3.0422 3.0422 3.6281 3.6281 5.6436 5.6436 6.7004 6.7004 6.9000 6.9000 k = 0.0000 0.3125 0.8727 ( 1966 PWs) bands (ev): -33.2957 -33.2957 -17.4639 -17.4639 -15.5191 -15.5191 -14.8771 -14.8771 3.0126 3.0126 3.6315 3.6315 5.6884 5.6884 6.7637 6.7637 6.9496 6.9496 k = 0.0000 0.3281 0.8727 ( 1968 PWs) bands (ev): -33.2957 -33.2957 -17.4638 -17.4638 -15.5194 -15.5194 -14.8775 -14.8775 2.9848 2.9848 3.6348 3.6348 5.7317 5.7317 6.8248 6.8248 7.0036 7.0036 k = 0.0000 0.3438 0.8727 ( 1968 PWs) bands (ev): -33.2957 -33.2957 -17.4637 -17.4637 -15.5197 -15.5197 -14.8778 -14.8778 2.9590 2.9590 3.6379 3.6379 5.7729 5.7729 6.8833 6.8833 7.0622 7.0622 k = 0.0000 0.3594 0.8727 ( 1968 PWs) bands (ev): -33.2957 -33.2957 -17.4637 -17.4637 -15.5199 -15.5199 -14.8781 -14.8781 2.9354 2.9354 3.6408 3.6408 5.8115 5.8115 6.9386 6.9386 7.1254 7.1254 k = 0.0000 0.3750 0.8727 ( 1972 PWs) bands (ev): -33.2957 -33.2957 -17.4636 -17.4636 -15.5201 -15.5201 -14.8784 -14.8784 2.9140 2.9140 3.6435 3.6435 5.8470 5.8470 6.9904 6.9904 7.1933 7.1933 k = 0.0000 0.3906 0.8727 ( 1972 PWs) bands (ev): -33.2956 -33.2956 -17.4636 -17.4636 -15.5203 -15.5203 -14.8786 -14.8786 2.8950 2.8950 3.6460 3.6460 5.8791 5.8791 7.0380 7.0380 7.2656 7.2656 k = 0.0000 0.4062 0.8727 ( 1976 PWs) bands (ev): -33.2956 -33.2956 -17.4635 -17.4635 -15.5205 -15.5205 -14.8788 -14.8788 2.8783 2.8783 3.6481 3.6481 5.9073 5.9073 7.0807 7.0807 7.3408 7.3408 k = 0.0000 0.4219 0.8727 ( 1972 PWs) bands (ev): -33.2956 -33.2956 -17.4635 -17.4635 -15.5207 -15.5207 -14.8790 -14.8790 2.8641 2.8641 3.6500 3.6500 5.9316 5.9316 7.1182 7.1182 7.3990 7.3990 k = 0.0000 0.4375 0.8727 ( 1960 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5208 -15.5208 -14.8792 -14.8792 2.8524 2.8524 3.6516 3.6516 5.9516 5.9516 7.1496 7.1496 7.4007 7.4008 k = 0.0000 0.4531 0.8727 ( 1960 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5209 -15.5209 -14.8793 -14.8793 2.8433 2.8433 3.6528 3.6528 5.9673 5.9673 7.1747 7.1747 7.3959 7.3960 k = 0.0000 0.4688 0.8727 ( 1960 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5210 -15.5210 -14.8794 -14.8794 2.8368 2.8368 3.6537 3.6537 5.9786 5.9786 7.1929 7.1929 7.3920 7.3920 k = 0.0000 0.4844 0.8727 ( 1952 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5210 -15.5210 -14.8794 -14.8794 2.8328 2.8328 3.6543 3.6543 5.9853 5.9853 7.2040 7.2040 7.3895 7.3895 k = 0.0000 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5210 -15.5210 -14.8795 -14.8795 2.8315 2.8315 3.6544 3.6544 5.9876 5.9876 7.2077 7.2077 7.3887 7.3887 k = 0.0000 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5210 -15.5210 -14.8795 -14.8795 2.8315 2.8315 3.6544 3.6544 5.9876 5.9876 7.2077 7.2077 7.3887 7.3887 k = 0.0156 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5211 -15.5211 -14.8795 -14.8795 2.8318 2.8318 3.6522 3.6522 5.9903 5.9903 7.2124 7.2124 7.3814 7.3814 k = 0.0312 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2956 -33.2956 -17.4633 -17.4633 -15.5211 -15.5211 -14.8795 -14.8795 2.8328 2.8328 3.6457 3.6457 5.9982 5.9982 7.2265 7.2265 7.3613 7.3613 k = 0.0469 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2956 -33.2956 -17.4633 -17.4633 -15.5212 -15.5212 -14.8796 -14.8796 2.8345 2.8345 3.6349 3.6349 6.0116 6.0116 7.2493 7.2493 7.3324 7.3324 k = 0.0625 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2956 -33.2956 -17.4633 -17.4633 -15.5213 -15.5213 -14.8798 -14.8798 2.8368 2.8368 3.6202 3.6202 6.0302 6.0302 7.2746 7.2746 7.3043 7.3043 k = 0.0781 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2956 -33.2956 -17.4633 -17.4633 -15.5214 -15.5214 -14.8799 -14.8799 2.8397 2.8397 3.6017 3.6017 6.0542 6.0542 7.2521 7.2521 7.3291 7.3291 k = 0.0938 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2956 -33.2956 -17.4632 -17.4632 -15.5215 -15.5215 -14.8801 -14.8801 2.8432 2.8432 3.5800 3.5800 6.0835 6.0835 7.2122 7.2122 7.3777 7.3777 k = 0.1094 0.5000 0.8727 ( 1972 PWs) bands (ev): -33.2955 -33.2955 -17.4632 -17.4632 -15.5217 -15.5217 -14.8803 -14.8803 2.8473 2.8473 3.5553 3.5553 6.1180 6.1180 7.1705 7.1705 7.4352 7.4352 k = 0.1250 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2955 -33.2955 -17.4631 -17.4631 -15.5219 -15.5219 -14.8806 -14.8806 2.8519 2.8519 3.5281 3.5281 6.1578 6.1578 7.1284 7.1284 7.5003 7.5003 k = 0.1406 0.5000 0.8727 ( 1972 PWs) bands (ev): -33.2955 -33.2955 -17.4630 -17.4630 -15.5221 -15.5221 -14.8809 -14.8809 2.8571 2.8571 3.4989 3.4989 6.2029 6.2029 7.0866 7.0866 7.5723 7.5723 k = 0.1562 0.5000 0.8727 ( 1972 PWs) bands (ev): -33.2955 -33.2955 -17.4630 -17.4630 -15.5223 -15.5223 -14.8812 -14.8812 2.8627 2.8627 3.4681 3.4681 6.2531 6.2531 7.0453 7.0453 7.6505 7.6505 k = 0.1719 0.5000 0.8727 ( 1964 PWs) bands (ev): -33.2955 -33.2955 -17.4629 -17.4629 -15.5226 -15.5226 -14.8815 -14.8815 2.8686 2.8686 3.4360 3.4360 6.3084 6.3084 7.0049 7.0049 7.7343 7.7343 k = 0.1875 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2955 -33.2955 -17.4628 -17.4628 -15.5228 -15.5228 -14.8818 -14.8818 2.8750 2.8750 3.4032 3.4032 6.3689 6.3689 6.9656 6.9656 7.8232 7.8232 k = 0.2031 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2954 -33.2954 -17.4627 -17.4627 -15.5231 -15.5231 -14.8822 -14.8822 2.8816 2.8816 3.3699 3.3699 6.4345 6.4345 6.9275 6.9275 7.9164 7.9164 k = 0.2188 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2954 -33.2954 -17.4627 -17.4627 -15.5233 -15.5233 -14.8826 -14.8826 2.8885 2.8885 3.3366 3.3366 6.5050 6.5050 6.8909 6.8909 8.0132 8.0132 k = 0.2344 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2954 -33.2954 -17.4626 -17.4626 -15.5236 -15.5236 -14.8829 -14.8829 2.8956 2.8956 3.3035 3.3035 6.5804 6.5804 6.8558 6.8558 8.1130 8.1130 k = 0.2500 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2954 -33.2954 -17.4625 -17.4625 -15.5239 -15.5239 -14.8833 -14.8833 2.9027 2.9027 3.2710 3.2710 6.6606 6.6606 6.8224 6.8224 8.2051 8.2051 k = 0.2656 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2954 -33.2954 -17.4624 -17.4624 -15.5242 -15.5242 -14.8837 -14.8837 2.9099 2.9099 3.2394 3.2394 6.7444 6.7444 6.7918 6.7918 8.2075 8.2075 k = 0.2812 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2953 -33.2953 -17.4623 -17.4623 -15.5245 -15.5245 -14.8841 -14.8841 2.9171 2.9171 3.2088 3.2088 6.7585 6.7585 6.8375 6.8375 8.2098 8.2098 k = 0.2969 0.5000 0.8727 ( 1956 PWs) bands (ev): -33.2953 -33.2953 -17.4622 -17.4622 -15.5247 -15.5247 -14.8844 -14.8844 2.9242 2.9242 3.1795 3.1795 6.7308 6.7308 6.9314 6.9314 8.2122 8.2122 k = 0.3125 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2953 -33.2953 -17.4622 -17.4622 -15.5250 -15.5250 -14.8848 -14.8848 2.9311 2.9311 3.1517 3.1517 6.7045 6.7045 7.0302 7.0302 8.2146 8.2146 k = 0.3281 0.5000 0.8727 ( 1956 PWs) bands (ev): -33.2953 -33.2953 -17.4621 -17.4621 -15.5253 -15.5253 -14.8851 -14.8851 2.9377 2.9377 3.1255 3.1255 6.6800 6.6800 7.1334 7.1334 8.2170 8.2170 k = 0.3438 0.5000 0.8727 ( 1956 PWs) bands (ev): -33.2953 -33.2953 -17.4620 -17.4620 -15.5255 -15.5255 -14.8854 -14.8854 2.9440 2.9440 3.1012 3.1012 6.6574 6.6574 7.2407 7.2407 8.2196 8.2196 k = 0.3594 0.5000 0.8727 ( 1956 PWs) bands (ev): -33.2952 -33.2952 -17.4619 -17.4619 -15.5257 -15.5257 -14.8857 -14.8857 2.9499 2.9499 3.0789 3.0789 6.6369 6.6369 7.3518 7.3518 8.2223 8.2223 k = 0.3750 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4619 -17.4619 -15.5260 -15.5260 -14.8860 -14.8860 2.9554 2.9554 3.0587 3.0587 6.6184 6.6184 7.4662 7.4662 8.2252 8.2252 k = 0.3906 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4618 -17.4618 -15.5262 -15.5262 -14.8862 -14.8862 2.9602 2.9602 3.0407 3.0407 6.6019 6.6019 7.5832 7.5832 8.2288 8.2288 k = 0.4062 0.5000 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4618 -17.4618 -15.5263 -15.5263 -14.8865 -14.8865 2.9644 2.9644 3.0251 3.0251 6.5877 6.5877 7.7018 7.7018 8.2334 8.2334 k = 0.4219 0.5000 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5265 -15.5265 -14.8866 -14.8866 2.9678 2.9678 3.0121 3.0121 6.5755 6.5755 7.8197 7.8197 8.2401 8.2401 k = 0.4375 0.5000 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5266 -15.5266 -14.8868 -14.8868 2.9702 2.9702 3.0017 3.0017 6.5656 6.5656 7.9328 7.9328 8.2515 8.2515 k = 0.4531 0.5000 0.8727 ( 1960 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5267 -15.5267 -14.8869 -14.8869 2.9713 2.9713 2.9944 2.9944 6.5578 6.5578 8.0319 8.0319 8.2733 8.2733 k = 0.4688 0.5000 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8870 -14.8870 2.9712 2.9712 2.9901 2.9901 6.5523 6.5523 8.1021 8.1021 8.3137 8.3137 k = 0.4844 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8871 -14.8871 2.9704 2.9704 2.9882 2.9882 6.5489 6.5489 8.1368 8.1368 8.3647 8.3647 k = 0.5000 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8871 -14.8871 2.9700 2.9700 2.9877 2.9877 6.5478 6.5478 8.1462 8.1462 8.3896 8.3896 k = 0.5000 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8871 -14.8871 2.9700 2.9700 2.9877 2.9877 6.5478 6.5478 8.1462 8.1462 8.3896 8.3896 k = 0.4891 0.4891 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8871 -14.8871 2.9704 2.9704 2.9882 2.9882 6.5489 6.5489 8.1377 8.1377 8.3641 8.3641 k = 0.4783 0.4783 0.8727 ( 1960 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8870 -14.8870 2.9717 2.9717 2.9895 2.9895 6.5521 6.5521 8.1134 8.1134 8.2977 8.2977 k = 0.4674 0.4674 0.8727 ( 1960 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5267 -15.5267 -14.8869 -14.8869 2.9737 2.9737 2.9917 2.9917 6.5574 6.5574 8.0761 8.0761 8.2081 8.2081 k = 0.4565 0.4565 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5266 -15.5266 -14.8868 -14.8868 2.9764 2.9764 2.9950 2.9950 6.5646 6.5646 8.0288 8.0288 8.1071 8.1071 k = 0.4457 0.4457 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4617 -17.4617 -15.5265 -15.5265 -14.8867 -14.8867 2.9797 2.9797 2.9995 2.9995 6.5737 6.5737 7.9725 7.9725 8.0031 8.0031 k = 0.4348 0.4348 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4618 -17.4618 -15.5263 -15.5263 -14.8865 -14.8865 2.9835 2.9835 3.0052 3.0052 6.5843 6.5843 7.8848 7.8848 7.9239 7.9239 k = 0.4239 0.4239 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4618 -17.4618 -15.5262 -15.5262 -14.8863 -14.8863 2.9878 2.9878 3.0121 3.0121 6.5962 6.5962 7.7770 7.7770 7.8621 7.8621 k = 0.4130 0.4130 0.8727 ( 1964 PWs) bands (ev): -33.2952 -33.2952 -17.4619 -17.4619 -15.5260 -15.5260 -14.8860 -14.8860 2.9926 2.9926 3.0204 3.0204 6.6088 6.6088 7.6691 7.6691 7.8006 7.8006 k = 0.4022 0.4022 0.8727 ( 1962 PWs) bands (ev): -33.2952 -33.2952 -17.4619 -17.4619 -15.5257 -15.5257 -14.8857 -14.8857 2.9978 2.9978 3.0298 3.0298 6.6214 6.6214 7.5637 7.5637 7.7389 7.7389 k = 0.3913 0.3913 0.8727 ( 1948 PWs) bands (ev): -33.2953 -33.2953 -17.4620 -17.4620 -15.5255 -15.5255 -14.8854 -14.8854 3.0037 3.0037 3.0404 3.0404 6.6329 6.6329 7.4624 7.4624 7.6775 7.6775 k = 0.3804 0.3804 0.8727 ( 1948 PWs) bands (ev): -33.2953 -33.2953 -17.4621 -17.4621 -15.5252 -15.5252 -14.8851 -14.8851 3.0102 3.0102 3.0522 3.0522 6.6417 6.6417 7.3673 7.3673 7.6166 7.6166 k = 0.3696 0.3696 0.8727 ( 1948 PWs) bands (ev): -33.2953 -33.2953 -17.4622 -17.4622 -15.5250 -15.5250 -14.8847 -14.8847 3.0174 3.0174 3.0650 3.0650 6.6453 6.6453 7.2811 7.2811 7.5567 7.5567 k = 0.3587 0.3587 0.8727 ( 1948 PWs) bands (ev): -33.2953 -33.2953 -17.4623 -17.4623 -15.5247 -15.5247 -14.8843 -14.8843 3.0254 3.0254 3.0788 3.0788 6.6400 6.6400 7.2076 7.2076 7.4980 7.4980 k = 0.3478 0.3478 0.8727 ( 1954 PWs) bands (ev): -33.2953 -33.2953 -17.4624 -17.4624 -15.5243 -15.5243 -14.8839 -14.8839 3.0341 3.0341 3.0935 3.0935 6.6217 6.6217 7.1509 7.1509 7.4406 7.4406 k = 0.3370 0.3370 0.8727 ( 1958 PWs) bands (ev): -33.2954 -33.2954 -17.4625 -17.4625 -15.5240 -15.5240 -14.8835 -14.8835 3.0437 3.0437 3.1091 3.1091 6.5872 6.5872 7.1143 7.1143 7.3847 7.3847 k = 0.3261 0.3261 0.8727 ( 1962 PWs) bands (ev): -33.2954 -33.2954 -17.4626 -17.4626 -15.5236 -15.5236 -14.8830 -14.8830 3.0542 3.0542 3.1256 3.1256 6.5366 6.5366 7.0976 7.0977 7.3305 7.3305 k = 0.3152 0.3152 0.8727 ( 1962 PWs) bands (ev): -33.2954 -33.2954 -17.4627 -17.4627 -15.5233 -15.5233 -14.8826 -14.8826 3.0655 3.0655 3.1428 3.1428 6.4732 6.4732 7.0973 7.0973 7.2784 7.2784 k = 0.3043 0.3043 0.8727 ( 1958 PWs) bands (ev): -33.2954 -33.2954 -17.4628 -17.4628 -15.5229 -15.5229 -14.8821 -14.8821 3.0779 3.0779 3.1607 3.1607 6.4014 6.4014 7.1082 7.1082 7.2290 7.2290 k = 0.2935 0.2935 0.8727 ( 1962 PWs) bands (ev): -33.2955 -33.2955 -17.4629 -17.4629 -15.5225 -15.5225 -14.8816 -14.8816 3.0912 3.0912 3.1792 3.1792 6.3248 6.3248 7.1227 7.1227 7.1863 7.1863 k = 0.2826 0.2826 0.8727 ( 1966 PWs) bands (ev): -33.2955 -33.2955 -17.4630 -17.4630 -15.5221 -15.5221 -14.8811 -14.8811 3.1055 3.1055 3.1983 3.1983 6.2459 6.2459 7.1129 7.1129 7.1754 7.1754 k = 0.2717 0.2717 0.8727 ( 1974 PWs) bands (ev): -33.2955 -33.2955 -17.4631 -17.4631 -15.5217 -15.5217 -14.8806 -14.8806 3.1208 3.1208 3.2179 3.2179 6.1667 6.1667 7.0743 7.0743 7.1993 7.1993 k = 0.2609 0.2609 0.8727 ( 1970 PWs) bands (ev): -33.2956 -33.2956 -17.4632 -17.4632 -15.5213 -15.5213 -14.8801 -14.8801 3.1371 3.1371 3.2378 3.2378 6.0880 6.0880 7.0319 7.0319 7.2314 7.2314 k = 0.2500 0.2500 0.8727 ( 1970 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5209 -15.5209 -14.8795 -14.8795 3.1544 3.1544 3.2580 3.2580 6.0108 6.0108 6.9902 6.9902 7.2665 7.2665 k = 0.2391 0.2391 0.8727 ( 1978 PWs) bands (ev): -33.2956 -33.2956 -17.4635 -17.4635 -15.5205 -15.5205 -14.8790 -14.8790 3.1726 3.1726 3.2785 3.2785 5.9354 5.9354 6.9498 6.9498 7.2115 7.2115 k = 0.2283 0.2283 0.8727 ( 1974 PWs) bands (ev): -33.2957 -33.2957 -17.4636 -17.4636 -15.5201 -15.5201 -14.8785 -14.8785 3.1919 3.1919 3.2991 3.2991 5.8623 5.8623 6.9109 6.9109 7.1051 7.1051 k = 0.2174 0.2174 0.8727 ( 1970 PWs) bands (ev): -33.2957 -33.2957 -17.4637 -17.4637 -15.5197 -15.5197 -14.8780 -14.8780 3.2120 3.2120 3.3197 3.3197 5.7918 5.7918 6.8733 6.8733 7.0014 7.0014 k = 0.2065 0.2065 0.8727 ( 1970 PWs) bands (ev): -33.2957 -33.2957 -17.4638 -17.4638 -15.5193 -15.5193 -14.8775 -14.8775 3.2330 3.2330 3.3402 3.3402 5.7241 5.7241 6.8357 6.8357 6.9018 6.9018 k = 0.1957 0.1957 0.8727 ( 1970 PWs) bands (ev): -33.2957 -33.2957 -17.4640 -17.4640 -15.5189 -15.5189 -14.8770 -14.8770 3.2548 3.2548 3.3606 3.3606 5.6592 5.6592 6.7841 6.7841 6.8208 6.8208 k = 0.1848 0.1848 0.8727 ( 1966 PWs) bands (ev): -33.2958 -33.2958 -17.4641 -17.4641 -15.5185 -15.5185 -14.8765 -14.8765 3.2772 3.2772 3.3807 3.3807 5.5974 5.5974 6.6967 6.6967 6.7802 6.7802 k = 0.1739 0.1739 0.8727 ( 1966 PWs) bands (ev): -33.2958 -33.2958 -17.4642 -17.4642 -15.5182 -15.5182 -14.8760 -14.8760 3.3003 3.3003 3.4005 3.4005 5.5387 5.5387 6.6049 6.6049 6.7490 6.7490 k = 0.1630 0.1630 0.8727 ( 1962 PWs) bands (ev): -33.2958 -33.2958 -17.4643 -17.4643 -15.5178 -15.5178 -14.8756 -14.8756 3.3238 3.3238 3.4197 3.4197 5.4833 5.4833 6.5153 6.5153 6.7206 6.7206 k = 0.1522 0.1522 0.8727 ( 1966 PWs) bands (ev): -33.2958 -33.2958 -17.4644 -17.4644 -15.5175 -15.5175 -14.8751 -14.8751 3.3476 3.3476 3.4384 3.4384 5.4312 5.4312 6.4290 6.4290 6.6944 6.6944 k = 0.1413 0.1413 0.8727 ( 1960 PWs) bands (ev): -33.2959 -33.2959 -17.4645 -17.4645 -15.5172 -15.5172 -14.8747 -14.8747 3.3716 3.3716 3.4564 3.4564 5.3825 5.3825 6.3464 6.3464 6.6701 6.6701 k = 0.1304 0.1304 0.8727 ( 1960 PWs) bands (ev): -33.2959 -33.2959 -17.4646 -17.4646 -15.5168 -15.5168 -14.8743 -14.8743 3.3955 3.3955 3.4736 3.4736 5.3372 5.3372 6.2678 6.2678 6.6477 6.6477 k = 0.1196 0.1196 0.8727 ( 1960 PWs) bands (ev): -33.2959 -33.2959 -17.4647 -17.4647 -15.5166 -15.5166 -14.8739 -14.8739 3.4191 3.4191 3.4900 3.4900 5.2954 5.2954 6.1936 6.1936 6.6271 6.6271 k = 0.1087 0.1087 0.8727 ( 1960 PWs) bands (ev): -33.2959 -33.2959 -17.4647 -17.4647 -15.5163 -15.5163 -14.8736 -14.8736 3.4421 3.4421 3.5053 3.5053 5.2571 5.2571 6.1240 6.1240 6.6084 6.6084 k = 0.0978 0.0978 0.8727 ( 1964 PWs) bands (ev): -33.2959 -33.2959 -17.4648 -17.4648 -15.5160 -15.5160 -14.8733 -14.8733 3.4643 3.4643 3.5197 3.5197 5.2223 5.2223 6.0594 6.0594 6.5915 6.5915 k = 0.0870 0.0870 0.8727 ( 1972 PWs) bands (ev): -33.2960 -33.2960 -17.4649 -17.4649 -15.5158 -15.5158 -14.8730 -14.8730 3.4852 3.4852 3.5329 3.5329 5.1912 5.1912 6.0003 6.0003 6.5764 6.5764 k = 0.0761 0.0761 0.8727 ( 1968 PWs) bands (ev): -33.2960 -33.2960 -17.4649 -17.4649 -15.5156 -15.5156 -14.8727 -14.8727 3.5046 3.5046 3.5450 3.5450 5.1636 5.1636 5.9468 5.9468 6.5631 6.5631 k = 0.0652 0.0652 0.8727 ( 1972 PWs) bands (ev): -33.2960 -33.2960 -17.4650 -17.4650 -15.5154 -15.5154 -14.8725 -14.8725 3.5220 3.5220 3.5560 3.5560 5.1397 5.1397 5.8995 5.8995 6.5516 6.5516 k = 0.0543 0.0543 0.8727 ( 1968 PWs) bands (ev): -33.2960 -33.2960 -17.4650 -17.4650 -15.5153 -15.5153 -14.8723 -14.8723 3.5371 3.5371 3.5658 3.5658 5.1194 5.1194 5.8587 5.8587 6.5419 6.5419 k = 0.0435 0.0435 0.8727 ( 1972 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5152 -15.5152 -14.8721 -14.8721 3.5495 3.5495 3.5744 3.5744 5.1028 5.1028 5.8248 5.8248 6.5339 6.5339 k = 0.0326 0.0326 0.8727 ( 1976 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5151 -15.5151 -14.8720 -14.8720 3.5589 3.5589 3.5817 3.5817 5.0899 5.0899 5.7980 5.7980 6.5277 6.5277 k = 0.0217 0.0217 0.8727 ( 1984 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5150 -15.5150 -14.8719 -14.8719 3.5654 3.5654 3.5873 3.5873 5.0806 5.0806 5.7787 5.7787 6.5233 6.5233 k = 0.0109 0.0109 0.8727 ( 1990 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5150 -15.5150 -14.8719 -14.8719 3.5692 3.5692 3.5909 3.5909 5.0751 5.0751 5.7670 5.7670 6.5206 6.5206 k = 0.0000 0.0000 0.8727 ( 1978 PWs) bands (ev): -33.2960 -33.2960 -17.4651 -17.4651 -15.5149 -15.5149 -14.8719 -14.8719 3.5704 3.5704 3.5921 3.5921 5.0732 5.0732 5.7630 5.7630 6.5198 6.5198 k = 0.0000 0.5000-0.0000 ( 1982 PWs) bands (ev): -33.7991 -33.7991 -16.2694 -16.2694 -15.3646 -15.3646 -14.1305 -14.1305 1.7753 1.7753 2.9974 2.9974 3.4917 3.4917 5.0476 5.0476 6.1031 6.1031 k = 0.0000 0.5000 0.0156 ( 1982 PWs) bands (ev): -33.7988 -33.7988 -16.2692 -16.2692 -15.3642 -15.3642 -14.1333 -14.1333 1.7784 1.7784 2.9982 2.9982 3.4958 3.4958 5.0488 5.0488 6.1043 6.1043 k = 0.0000 0.5000 0.0312 ( 1986 PWs) bands (ev): -33.7977 -33.7977 -16.2689 -16.2689 -15.3632 -15.3632 -14.1414 -14.1414 1.7878 1.7878 3.0005 3.0005 3.5083 3.5083 5.0525 5.0525 6.1077 6.1077 k = 0.0000 0.5000 0.0468 ( 1988 PWs) bands (ev): -33.7958 -33.7958 -16.2683 -16.2683 -15.3614 -15.3614 -14.1550 -14.1550 1.8034 1.8034 3.0044 3.0044 3.5290 3.5290 5.0585 5.0585 6.1134 6.1134 k = 0.0000 0.5000 0.0623 ( 1984 PWs) bands (ev): -33.7932 -33.7932 -16.2675 -16.2675 -15.3589 -15.3589 -14.1738 -14.1738 1.8249 1.8249 3.0098 3.0098 3.5582 3.5582 5.0670 5.0670 6.1213 6.1213 k = 0.0000 0.5000 0.0779 ( 1980 PWs) bands (ev): -33.7900 -33.7900 -16.2666 -16.2666 -15.3557 -15.3557 -14.1978 -14.1978 1.8520 1.8520 3.0167 3.0167 3.5959 3.5959 5.0778 5.0778 6.1316 6.1316 k = 0.0000 0.5000 0.0935 ( 1980 PWs) bands (ev): -33.7860 -33.7860 -16.2655 -16.2655 -15.3518 -15.3518 -14.2268 -14.2268 1.8845 1.8845 3.0250 3.0250 3.6423 3.6423 5.0911 5.0911 6.1441 6.1441 k = 0.0000 0.5000 0.1091 ( 1984 PWs) bands (ev): -33.7813 -33.7813 -16.2643 -16.2643 -15.3473 -15.3473 -14.2605 -14.2605 1.9220 1.9220 3.0347 3.0347 3.6976 3.6976 5.1068 5.1068 6.1588 6.1588 k = 0.0000 0.5000 0.1247 ( 1988 PWs) bands (ev): -33.7759 -33.7759 -16.2630 -16.2630 -15.3420 -15.3420 -14.2987 -14.2987 1.9640 1.9640 3.0457 3.0457 3.7618 3.7618 5.1248 5.1248 6.1758 6.1758 k = 0.0000 0.5000 0.1403 ( 1984 PWs) bands (ev): -33.7698 -33.7698 -16.2617 -16.2617 -15.3362 -15.3362 -14.3412 -14.3412 2.0101 2.0101 3.0580 3.0580 3.8352 3.8352 5.1453 5.1453 6.1951 6.1951 k = 0.0000 0.5000 0.1558 ( 1984 PWs) bands (ev): -33.7630 -33.7630 -16.2606 -16.2606 -15.3296 -15.3296 -14.3876 -14.3876 2.0600 2.0600 3.0715 3.0715 3.9177 3.9177 5.1680 5.1680 6.2166 6.2166 k = 0.0000 0.5000 0.1714 ( 1984 PWs) bands (ev): -33.7557 -33.7557 -16.2595 -16.2595 -15.3225 -15.3225 -14.4376 -14.4376 2.1132 2.1132 3.0861 3.0861 4.0095 4.0095 5.1931 5.1931 6.2403 6.2403 k = 0.0000 0.5000 0.1870 ( 1980 PWs) bands (ev): -33.7476 -33.7476 -16.2588 -16.2588 -15.3147 -15.3147 -14.4908 -14.4908 2.1693 2.1693 3.1016 3.1016 4.1106 4.1106 5.2206 5.2206 6.2663 6.2663 k = 0.0000 0.5000 0.2026 ( 1972 PWs) bands (ev): -33.7390 -33.7390 -16.2584 -16.2584 -15.3064 -15.3064 -14.5469 -14.5469 2.2280 2.2280 3.1180 3.1180 4.2208 4.2208 5.2503 5.2503 6.2946 6.2946 k = 0.0000 0.5000 0.2182 ( 1976 PWs) bands (ev): -33.7298 -33.7298 -16.2585 -16.2585 -15.2975 -15.2975 -14.6054 -14.6054 2.2890 2.2890 3.1351 3.1351 4.3399 4.3399 5.2823 5.2823 6.3250 6.3250 k = 0.0000 0.5000 0.2338 ( 1976 PWs) bands (ev): -33.7201 -33.7201 -16.2593 -16.2593 -15.2881 -15.2881 -14.6659 -14.6659 2.3521 2.3521 3.1527 3.1527 4.4678 4.4678 5.3165 5.3165 6.3578 6.3578 k = 0.0000 0.5000 0.2494 ( 1978 PWs) bands (ev): -33.7098 -33.7098 -16.2610 -16.2610 -15.2782 -15.2782 -14.7279 -14.7279 2.4171 2.4171 3.1707 3.1707 4.6041 4.6041 5.3530 5.3530 6.3928 6.3928 k = 0.0000 0.5000 0.2649 ( 1978 PWs) bands (ev): -33.6990 -33.6990 -16.2637 -16.2637 -15.2677 -15.2677 -14.7910 -14.7910 2.4838 2.4838 3.1889 3.1889 4.7483 4.7483 5.3916 5.3916 6.4301 6.4301 k = 0.0000 0.5000 0.2805 ( 1982 PWs) bands (ev): -33.6877 -33.6877 -16.2678 -16.2678 -15.2569 -15.2569 -14.8545 -14.8545 2.5522 2.5522 3.2070 3.2070 4.8999 4.8999 5.4324 5.4324 6.4698 6.4698 k = 0.0000 0.5000 0.2961 ( 1976 PWs) bands (ev): -33.6760 -33.6760 -16.2734 -16.2734 -15.2456 -15.2456 -14.9179 -14.9179 2.6222 2.6222 3.2249 3.2249 5.0583 5.0583 5.4754 5.4754 6.5119 6.5119 k = 0.0000 0.5000 0.3117 ( 1972 PWs) bands (ev): -33.6639 -33.6639 -16.2809 -16.2809 -15.2339 -15.2339 -14.9807 -14.9807 2.6937 2.6937 3.2422 3.2422 5.2226 5.2226 5.5204 5.5204 6.5566 6.5566 k = 0.0000 0.5000 0.3273 ( 1972 PWs) bands (ev): -33.6514 -33.6514 -16.2907 -16.2907 -15.2220 -15.2220 -15.0422 -15.0422 2.7668 2.7668 3.2588 3.2588 5.3919 5.3919 5.5674 5.5674 6.5088 6.5088 k = 0.0000 0.5000 0.3429 ( 1972 PWs) bands (ev): -33.6386 -33.6386 -16.3030 -16.3030 -15.2098 -15.2098 -15.1017 -15.1017 2.8415 2.8415 3.2743 3.2743 5.5644 5.5644 5.6171 5.6171 6.3668 6.3668 k = 0.0000 0.5000 0.3584 ( 1968 PWs) bands (ev): -33.6255 -33.6255 -16.3184 -16.3184 -15.1980 -15.1980 -15.1580 -15.1580 2.9178 2.9178 3.2885 3.2885 5.6661 5.6661 5.7419 5.7419 6.2267 6.2267 k = 0.0000 0.5000 0.3740 ( 1962 PWs) bands (ev): -33.6121 -33.6121 -16.3370 -16.3370 -15.2151 -15.2151 -15.1820 -15.1820 2.9957 2.9957 3.3011 3.3011 5.7192 5.7192 5.9172 5.9172 6.0895 6.0895 k = 0.0000 0.5000 0.3896 ( 1962 PWs) bands (ev): -33.5984 -33.5984 -16.3594 -16.3594 -15.2643 -15.2643 -15.1700 -15.1700 3.0752 3.0752 3.3119 3.3119 5.7734 5.7734 5.9509 5.9509 6.0951 6.0951 k = 0.0000 0.5000 0.4052 ( 1970 PWs) bands (ev): -33.5846 -33.5846 -16.3856 -16.3856 -15.3103 -15.3103 -15.1569 -15.1569 3.1561 3.1561 3.3208 3.3208 5.8122 5.8122 5.8361 5.8361 6.2639 6.2639 k = 0.0000 0.5000 0.4208 ( 1966 PWs) bands (ev): -33.5707 -33.5707 -16.4159 -16.4159 -15.3519 -15.3519 -15.1435 -15.1435 3.2375 3.2375 3.3284 3.3284 5.6871 5.6871 5.8886 5.8886 6.4242 6.4242 k = 0.0000 0.5000 0.4364 ( 1964 PWs) bands (ev): -33.5566 -33.5566 -16.4502 -16.4502 -15.3888 -15.3888 -15.1300 -15.1300 3.3078 3.3078 3.3463 3.3463 5.5598 5.5598 5.9476 5.9476 6.5702 6.5702 k = 0.0000 0.5000 0.4519 ( 1964 PWs) bands (ev): -33.5425 -33.5425 -16.4883 -16.4883 -15.4210 -15.4210 -15.1164 -15.1164 3.3229 3.3229 3.4182 3.4182 5.4352 5.4352 6.0083 6.0083 6.6976 6.6976 k = 0.0000 0.5000 0.4675 ( 1952 PWs) bands (ev): -33.5284 -33.5284 -16.5301 -16.5301 -15.4486 -15.4486 -15.1028 -15.1028 3.3217 3.3217 3.5052 3.5052 5.3139 5.3139 6.0703 6.0703 6.8060 6.8060 k = 0.0000 0.5000 0.4831 ( 1956 PWs) bands (ev): -33.5143 -33.5143 -16.5750 -16.5750 -15.4717 -15.4717 -15.0893 -15.0893 3.3160 3.3160 3.5954 3.5954 5.1959 5.1959 6.1335 6.1335 6.8985 6.8985 k = 0.0000 0.5000 0.4987 ( 1956 PWs) bands (ev): -33.5003 -33.5003 -16.6226 -16.6226 -15.4907 -15.4907 -15.0758 -15.0758 3.3067 3.3067 3.6879 3.6879 5.0814 5.0814 6.1977 6.1977 6.9686 6.9686 k = 0.0000 0.5000 0.5143 ( 1960 PWs) bands (ev): -33.4864 -33.4864 -16.6723 -16.6723 -15.5061 -15.5061 -15.0624 -15.0624 3.2941 3.2941 3.7824 3.7824 4.9706 4.9706 6.2629 6.2629 6.9486 6.9486 k = 0.0000 0.5000 0.5299 ( 1952 PWs) bands (ev): -33.4726 -33.4726 -16.7235 -16.7235 -15.5183 -15.5183 -15.0492 -15.0492 3.2784 3.2784 3.8789 3.8789 4.8636 4.8636 6.3288 6.3288 6.9367 6.9367 k = 0.0000 0.5000 0.5455 ( 1952 PWs) bands (ev): -33.4591 -33.4591 -16.7756 -16.7756 -15.5276 -15.5276 -15.0362 -15.0362 3.2598 3.2598 3.9772 3.9772 4.7606 4.7606 6.3953 6.3953 6.9334 6.9334 k = 0.0000 0.5000 0.5610 ( 1960 PWs) bands (ev): -33.4458 -33.4458 -16.8281 -16.8281 -15.5345 -15.5345 -15.0235 -15.0235 3.2386 3.2386 4.0774 4.0774 4.6616 4.6616 6.4621 6.4621 6.9385 6.9385 k = 0.0000 0.5000 0.5766 ( 1956 PWs) bands (ev): -33.4329 -33.4329 -16.8806 -16.8806 -15.5394 -15.5394 -15.0111 -15.0111 3.2152 3.2152 4.1793 4.1793 4.5669 4.5669 6.5291 6.5291 6.9516 6.9516 k = 0.0000 0.5000 0.5922 ( 1968 PWs) bands (ev): -33.4203 -33.4203 -16.9324 -16.9324 -15.5426 -15.5426 -14.9990 -14.9990 3.1899 3.1899 4.2823 4.2823 4.4771 4.4771 6.5960 6.5960 6.9723 6.9723 k = 0.0000 0.5000 0.6078 ( 1966 PWs) bands (ev): -33.4080 -33.4080 -16.9833 -16.9833 -15.5444 -15.5444 -14.9872 -14.9872 3.1631 3.1631 4.3705 4.3705 4.4081 4.4081 6.6626 6.6626 7.0002 7.0002 k = 0.0000 0.5000 0.6234 ( 1972 PWs) bands (ev): -33.3963 -33.3963 -17.0328 -17.0328 -15.5450 -15.5450 -14.9759 -14.9759 3.1352 3.1352 4.3050 4.3050 4.4988 4.4988 6.7286 6.7286 7.0346 7.0346 k = 0.0000 0.5000 0.6390 ( 1972 PWs) bands (ev): -33.3850 -33.3850 -17.0807 -17.0807 -15.5448 -15.5448 -14.9651 -14.9651 3.1067 3.1067 4.2285 4.2285 4.6066 4.6066 6.7936 6.7936 7.0750 7.0750 k = 0.0000 0.5000 0.6545 ( 1972 PWs) bands (ev): -33.3742 -33.3742 -17.1266 -17.1266 -15.5438 -15.5438 -14.9547 -14.9547 3.0780 3.0780 4.1560 4.1560 4.7162 4.7162 6.8574 6.8574 7.1207 7.1207 k = 0.0000 0.5000 0.6701 ( 1968 PWs) bands (ev): -33.3639 -33.3639 -17.1704 -17.1704 -15.5423 -15.5423 -14.9449 -14.9449 3.0494 3.0494 4.0880 4.0880 4.8271 4.8271 6.9196 6.9196 7.1710 7.1710 k = 0.0000 0.5000 0.6857 ( 1964 PWs) bands (ev): -33.3543 -33.3543 -17.2116 -17.2116 -15.5404 -15.5404 -14.9357 -14.9357 3.0214 3.0214 4.0247 4.0247 4.9389 4.9389 6.9797 6.9797 7.2251 7.2251 k = 0.0000 0.5000 0.7013 ( 1964 PWs) bands (ev): -33.3453 -33.3453 -17.2503 -17.2503 -15.5383 -15.5383 -14.9270 -14.9270 2.9943 2.9943 3.9662 3.9662 5.0512 5.0512 7.0374 7.0374 7.2821 7.2821 k = 0.0000 0.5000 0.7169 ( 1968 PWs) bands (ev): -33.3369 -33.3369 -17.2861 -17.2861 -15.5360 -15.5360 -14.9190 -14.9190 2.9685 2.9685 3.9126 3.9126 5.1636 5.1636 7.0923 7.0923 7.3408 7.3408 k = 0.0000 0.5000 0.7325 ( 1968 PWs) bands (ev): -33.3293 -33.3293 -17.3189 -17.3189 -15.5336 -15.5336 -14.9117 -14.9117 2.9443 2.9443 3.8639 3.8639 5.2756 5.2756 7.1439 7.1439 7.4001 7.4001 k = 0.0000 0.5000 0.7481 ( 1968 PWs) bands (ev): -33.3224 -33.3224 -17.3486 -17.3486 -15.5313 -15.5313 -14.9051 -14.9051 2.9219 2.9219 3.8202 3.8202 5.3863 5.3863 7.1917 7.1917 7.4575 7.4575 k = 0.0000 0.5000 0.7636 ( 1968 PWs) bands (ev): -33.3162 -33.3162 -17.3751 -17.3751 -15.5292 -15.5292 -14.8992 -14.8992 2.9015 2.9015 3.7815 3.7815 5.4949 5.4949 7.2353 7.2353 7.5055 7.5055 k = 0.0000 0.5000 0.7792 ( 1972 PWs) bands (ev): -33.3108 -33.3108 -17.3983 -17.3983 -15.5272 -15.5272 -14.8940 -14.8940 2.8835 2.8835 3.7479 3.7479 5.5998 5.5998 7.2741 7.2741 7.5012 7.5012 k = 0.0000 0.5000 0.7948 ( 1960 PWs) bands (ev): -33.3062 -33.3062 -17.4180 -17.4180 -15.5254 -15.5254 -14.8896 -14.8896 2.8679 2.8679 3.7194 3.7194 5.6993 5.6993 7.3077 7.3077 7.4431 7.4431 k = 0.0000 0.5000 0.8104 ( 1948 PWs) bands (ev): -33.3024 -33.3024 -17.4343 -17.4343 -15.5239 -15.5239 -14.8860 -14.8860 2.8550 2.8550 3.6961 3.6961 5.7905 5.7905 7.3347 7.3347 7.3766 7.3766 k = 0.0000 0.5000 0.8260 ( 1948 PWs) bands (ev): -33.2994 -33.2994 -17.4470 -17.4470 -15.5226 -15.5226 -14.8831 -14.8831 2.8448 2.8448 3.6779 3.6779 5.8699 5.8699 7.3087 7.3087 7.3604 7.3604 k = 0.0000 0.5000 0.8416 ( 1952 PWs) bands (ev): -33.2973 -33.2973 -17.4561 -17.4561 -15.5218 -15.5218 -14.8811 -14.8811 2.8374 2.8374 3.6649 3.6649 5.9326 5.9326 7.2559 7.2559 7.3758 7.3758 k = 0.0000 0.5000 0.8571 ( 1952 PWs) bands (ev): -33.2960 -33.2960 -17.4615 -17.4615 -15.5212 -15.5212 -14.8799 -14.8799 2.8330 2.8330 3.6571 3.6571 5.9734 5.9734 7.2203 7.2203 7.3854 7.3854 k = 0.0000 0.5000 0.8727 ( 1952 PWs) bands (ev): -33.2956 -33.2956 -17.4634 -17.4634 -15.5210 -15.5210 -14.8795 -14.8795 2.8315 2.8315 3.6544 3.6544 5.9876 5.9876 7.2077 7.2077 7.3887 7.3887 k = 0.5000 0.5000-0.0000 ( 1972 PWs) bands (ev): -33.7985 -33.7985 -16.2783 -16.2783 -15.3767 -15.3767 -14.1313 -14.1313 2.6921 2.6921 3.3282 3.3282 4.0910 4.0910 4.1960 4.1960 5.5383 5.5383 k = 0.5000 0.5000 0.0156 ( 1972 PWs) bands (ev): -33.7982 -33.7982 -16.2781 -16.2781 -15.3764 -15.3764 -14.1340 -14.1340 2.6978 2.6978 3.3296 3.3296 4.0913 4.0913 4.1963 4.1963 5.5399 5.5399 k = 0.5000 0.5000 0.0312 ( 1976 PWs) bands (ev): -33.7971 -33.7971 -16.2778 -16.2778 -15.3753 -15.3753 -14.1422 -14.1422 2.7148 2.7148 3.3338 3.3338 4.0922 4.0922 4.1971 4.1971 5.5445 5.5445 k = 0.5000 0.5000 0.0468 ( 1964 PWs) bands (ev): -33.7952 -33.7952 -16.2772 -16.2772 -15.3735 -15.3735 -14.1557 -14.1557 2.7431 2.7431 3.3407 3.3407 4.0936 4.0936 4.1985 4.1985 5.5523 5.5523 k = 0.5000 0.5000 0.0623 ( 1976 PWs) bands (ev): -33.7927 -33.7927 -16.2764 -16.2764 -15.3710 -15.3710 -14.1746 -14.1746 2.7824 2.7824 3.3504 3.3504 4.0956 4.0956 4.2003 4.2003 5.5632 5.5632 k = 0.5000 0.5000 0.0779 ( 1976 PWs) bands (ev): -33.7894 -33.7894 -16.2754 -16.2754 -15.3678 -15.3678 -14.1986 -14.1986 2.8328 2.8328 3.3629 3.3629 4.0981 4.0981 4.2026 4.2026 5.5772 5.5772 k = 0.5000 0.5000 0.0935 ( 1976 PWs) bands (ev): -33.7854 -33.7854 -16.2742 -16.2742 -15.3639 -15.3639 -14.2275 -14.2275 2.8939 2.8939 3.3782 3.3782 4.1009 4.1009 4.2052 4.2052 5.5944 5.5944 k = 0.5000 0.5000 0.1091 ( 1976 PWs) bands (ev): -33.7807 -33.7807 -16.2729 -16.2729 -15.3593 -15.3593 -14.2612 -14.2612 2.9656 2.9656 3.3962 3.3962 4.1041 4.1041 4.2081 4.2081 5.6148 5.6148 k = 0.5000 0.5000 0.1247 ( 1980 PWs) bands (ev): -33.7753 -33.7753 -16.2716 -16.2716 -15.3540 -15.3540 -14.2994 -14.2994 3.0474 3.0474 3.4170 3.4170 4.1075 4.1075 4.2111 4.2111 5.6384 5.6384 k = 0.5000 0.5000 0.1403 ( 1972 PWs) bands (ev): -33.7692 -33.7692 -16.2702 -16.2702 -15.3480 -15.3480 -14.3419 -14.3419 3.1391 3.1391 3.4405 3.4405 4.1111 4.1111 4.2142 4.2142 5.6654 5.6654 k = 0.5000 0.5000 0.1558 ( 1980 PWs) bands (ev): -33.7624 -33.7624 -16.2690 -16.2690 -15.3415 -15.3415 -14.3883 -14.3883 3.2403 3.2403 3.4668 3.4668 4.1146 4.1146 4.2171 4.2171 5.6957 5.6957 k = 0.5000 0.5000 0.1714 ( 1956 PWs) bands (ev): -33.7551 -33.7551 -16.2678 -16.2678 -15.3342 -15.3342 -14.4383 -14.4383 3.3505 3.3505 3.4958 3.4958 4.1181 4.1181 4.2197 4.2197 5.7295 5.7295 k = 0.5000 0.5000 0.1870 ( 1964 PWs) bands (ev): -33.7471 -33.7471 -16.2669 -16.2669 -15.3264 -15.3264 -14.4916 -14.4916 3.4691 3.4691 3.5276 3.5276 4.1214 4.1214 4.2219 4.2219 5.7669 5.7669 k = 0.5000 0.5000 0.2026 ( 1964 PWs) bands (ev): -33.7384 -33.7384 -16.2664 -16.2664 -15.3180 -15.3180 -14.5477 -14.5477 3.5620 3.5620 3.5955 3.5955 4.1244 4.1244 4.2234 4.2234 5.8080 5.8080 k = 0.5000 0.5000 0.2182 ( 1964 PWs) bands (ev): -33.7293 -33.7293 -16.2664 -16.2664 -15.3090 -15.3090 -14.6063 -14.6063 3.5992 3.5992 3.7287 3.7287 4.1273 4.1273 4.2239 4.2239 5.8530 5.8530 k = 0.5000 0.5000 0.2338 ( 1980 PWs) bands (ev): -33.7195 -33.7195 -16.2670 -16.2670 -15.2995 -15.2995 -14.6668 -14.6668 3.6391 3.6391 3.8667 3.8667 4.1313 4.1313 4.2233 4.2233 5.9021 5.9021 k = 0.5000 0.5000 0.2494 ( 1980 PWs) bands (ev): -33.7092 -33.7092 -16.2685 -16.2685 -15.2895 -15.2895 -14.7289 -14.7289 3.6817 3.6817 4.0021 4.0021 4.1429 4.1429 4.2213 4.2213 5.9556 5.9556 k = 0.5000 0.5000 0.2649 ( 1996 PWs) bands (ev): -33.6984 -33.6984 -16.2710 -16.2710 -15.2789 -15.2789 -14.7921 -14.7921 3.7269 3.7269 4.0867 4.0867 4.2093 4.2093 4.2176 4.2176 6.0138 6.0138 k = 0.5000 0.5000 0.2805 ( 1996 PWs) bands (ev): -33.6872 -33.6872 -16.2748 -16.2748 -15.2680 -15.2680 -14.8557 -14.8557 3.7748 3.7748 4.1005 4.1005 4.2120 4.2120 4.3492 4.3492 6.0770 6.0770 k = 0.5000 0.5000 0.2961 ( 1988 PWs) bands (ev): -33.6755 -33.6755 -16.2801 -16.2801 -15.2565 -15.2565 -14.9194 -14.9194 3.8254 3.8254 4.0988 4.0988 4.2042 4.2042 4.5061 4.5061 6.1458 6.1458 k = 0.5000 0.5000 0.3117 ( 1988 PWs) bands (ev): -33.6634 -33.6634 -16.2873 -16.2873 -15.2447 -15.2447 -14.9824 -14.9824 3.8785 3.8785 4.0921 4.0921 4.1939 4.1939 4.6682 4.6682 6.2208 6.2208 k = 0.5000 0.5000 0.3273 ( 1988 PWs) bands (ev): -33.6509 -33.6509 -16.2967 -16.2967 -15.2326 -15.2326 -15.0441 -15.0441 3.9342 3.9342 4.0820 4.0820 4.1809 4.1809 4.8324 4.8324 6.3026 6.3026 k = 0.5000 0.5000 0.3429 ( 1988 PWs) bands (ev): -33.6381 -33.6381 -16.3087 -16.3087 -15.2200 -15.2200 -15.1041 -15.1041 3.9925 3.9925 4.0687 4.0687 4.1650 4.1650 4.9968 4.9968 6.3922 6.3922 k = 0.5000 0.5000 0.3584 ( 1980 PWs) bands (ev): -33.6249 -33.6249 -16.3236 -16.3236 -15.2072 -15.2072 -15.1615 -15.1615 4.0522 4.0522 4.0533 4.0533 4.1461 4.1461 5.1597 5.1597 6.4903 6.4903 k = 0.5000 0.5000 0.3740 ( 1980 PWs) bands (ev): -33.6115 -33.6115 -16.3418 -16.3418 -15.2159 -15.2159 -15.1942 -15.1942 4.0326 4.0326 4.1139 4.1139 4.1265 4.1265 5.3196 5.3196 6.5979 6.5979 k = 0.5000 0.5000 0.3896 ( 1980 PWs) bands (ev): -33.5979 -33.5979 -16.3637 -16.3637 -15.2666 -15.2666 -15.1809 -15.1809 4.0098 4.0098 4.0974 4.0974 4.1832 4.1832 5.4748 5.4748 6.7156 6.7156 k = 0.5000 0.5000 0.4052 ( 1960 PWs) bands (ev): -33.5841 -33.5841 -16.3894 -16.3894 -15.3131 -15.3131 -15.1675 -15.1675 3.9836 3.9836 4.0685 4.0685 4.2513 4.2513 5.6241 5.6241 6.8441 6.8441 k = 0.5000 0.5000 0.4208 ( 1976 PWs) bands (ev): -33.5701 -33.5701 -16.4191 -16.4191 -15.3552 -15.3552 -15.1539 -15.1539 3.9543 3.9543 4.0361 4.0361 4.3219 4.3219 5.7668 5.7668 6.9832 6.9832 k = 0.5000 0.5000 0.4364 ( 1976 PWs) bands (ev): -33.5561 -33.5561 -16.4529 -16.4529 -15.3925 -15.3925 -15.1402 -15.1402 3.9219 3.9219 4.0005 4.0005 4.3949 4.3949 5.9024 5.9024 7.1323 7.1323 k = 0.5000 0.5000 0.4519 ( 1960 PWs) bands (ev): -33.5420 -33.5420 -16.4906 -16.4906 -15.4251 -15.4251 -15.1265 -15.1265 3.8865 3.8865 3.9619 3.9619 4.4703 4.4703 6.0312 6.0312 7.2265 7.2901 k = 0.5000 0.5000 0.4675 ( 1968 PWs) bands (ev): -33.5279 -33.5279 -16.5319 -16.5319 -15.4530 -15.4530 -15.1128 -15.1128 3.8484 3.8484 3.9204 3.9204 4.5478 4.5478 6.1537 6.1537 7.2727 7.2727 k = 0.5000 0.5000 0.4831 ( 1968 PWs) bands (ev): -33.5138 -33.5138 -16.5764 -16.5764 -15.4764 -15.4764 -15.0991 -15.0991 3.8078 3.8078 3.8764 3.8764 4.6276 4.6276 6.2709 6.2709 7.3193 7.3193 k = 0.5000 0.5000 0.4987 ( 1968 PWs) bands (ev): -33.4997 -33.4997 -16.6236 -16.6236 -15.4958 -15.4958 -15.0854 -15.0854 3.7651 3.7651 3.8302 3.8302 4.7094 4.7094 6.3835 6.3835 7.3664 7.3664 k = 0.5000 0.5000 0.5143 ( 1960 PWs) bands (ev): -33.4859 -33.4859 -16.6729 -16.6729 -15.5114 -15.5114 -15.0719 -15.0719 3.7205 3.7205 3.7822 3.7822 4.7932 4.7932 6.4926 6.4926 7.4136 7.4136 k = 0.5000 0.5000 0.5299 ( 1952 PWs) bands (ev): -33.4721 -33.4721 -16.7238 -16.7238 -15.5237 -15.5237 -15.0586 -15.0586 3.6745 3.6745 3.7328 3.7328 4.8790 4.8790 6.5990 6.5990 7.4610 7.4610 k = 0.5000 0.5000 0.5455 ( 1960 PWs) bands (ev): -33.4586 -33.4586 -16.7756 -16.7756 -15.5332 -15.5332 -15.0455 -15.0455 3.6274 3.6274 3.6824 3.6824 4.9665 4.9665 6.7032 6.7032 7.5083 7.5083 k = 0.5000 0.5000 0.5610 ( 1960 PWs) bands (ev): -33.4453 -33.4453 -16.8279 -16.8279 -15.5402 -15.5402 -15.0326 -15.0326 3.5797 3.5797 3.6314 3.6314 5.0556 5.0556 6.8059 6.8059 7.5553 7.5553 k = 0.5000 0.5000 0.5766 ( 1960 PWs) bands (ev): -33.4324 -33.4324 -16.8801 -16.8801 -15.5452 -15.5452 -15.0200 -15.0200 3.5317 3.5317 3.5802 3.5802 5.1463 5.1463 6.9074 6.9074 7.6020 7.6020 k = 0.5000 0.5000 0.5922 ( 1952 PWs) bands (ev): -33.4198 -33.4198 -16.9317 -16.9317 -15.5485 -15.5485 -15.0078 -15.0078 3.4838 3.4838 3.5293 3.5293 5.2382 5.2382 7.0081 7.0081 7.6481 7.6481 k = 0.5000 0.5000 0.6078 ( 1952 PWs) bands (ev): -33.4076 -33.4076 -16.9825 -16.9825 -15.5503 -15.5503 -14.9959 -14.9959 3.4364 3.4364 3.4790 3.4790 5.3313 5.3313 7.1081 7.1081 7.6934 7.6934 k = 0.5000 0.5000 0.6234 ( 1948 PWs) bands (ev): -33.3958 -33.3958 -17.0319 -17.0319 -15.5510 -15.5510 -14.9845 -14.9845 3.3898 3.3898 3.4296 3.4296 5.4253 5.4253 7.2075 7.2075 7.7377 7.7377 k = 0.5000 0.5000 0.6390 ( 1948 PWs) bands (ev): -33.3845 -33.3845 -17.0796 -17.0796 -15.5507 -15.5507 -14.9736 -14.9736 3.3445 3.3445 3.3817 3.3817 5.5198 5.5198 7.3063 7.3063 7.7808 7.7808 k = 0.5000 0.5000 0.6545 ( 1948 PWs) bands (ev): -33.3737 -33.3737 -17.1255 -17.1255 -15.5498 -15.5498 -14.9631 -14.9631 3.3007 3.3007 3.3354 3.3354 5.6145 5.6145 7.4045 7.4045 7.8225 7.8225 k = 0.5000 0.5000 0.6701 ( 1964 PWs) bands (ev): -33.3635 -33.3635 -17.1691 -17.1691 -15.5483 -15.5483 -14.9532 -14.9532 3.2587 3.2587 3.2910 3.2910 5.7091 5.7091 7.5019 7.5019 7.8626 7.8626 k = 0.5000 0.5000 0.6857 ( 1964 PWs) bands (ev): -33.3538 -33.3538 -17.2103 -17.2103 -15.5463 -15.5463 -14.9439 -14.9439 3.2187 3.2187 3.2490 3.2490 5.8031 5.8031 7.5983 7.5983 7.9009 7.9009 k = 0.5000 0.5000 0.7013 ( 1964 PWs) bands (ev): -33.3448 -33.3448 -17.2488 -17.2488 -15.5442 -15.5442 -14.9352 -14.9352 3.1811 3.1811 3.2094 3.2094 5.8959 5.8959 7.6933 7.6933 7.9372 7.9372 k = 0.5000 0.5000 0.7169 ( 1964 PWs) bands (ev): -33.3365 -33.3365 -17.2846 -17.2846 -15.5419 -15.5419 -14.9271 -14.9271 3.1461 3.1461 3.1725 3.1725 5.9868 5.9868 7.7865 7.7865 7.9712 7.9712 k = 0.5000 0.5000 0.7325 ( 1972 PWs) bands (ev): -33.3288 -33.3288 -17.3174 -17.3174 -15.5395 -15.5395 -14.9197 -14.9197 3.1138 3.1138 3.1385 3.1385 6.0750 6.0750 7.8773 7.8773 8.0027 8.0027 k = 0.5000 0.5000 0.7481 ( 1972 PWs) bands (ev): -33.3219 -33.3219 -17.3470 -17.3470 -15.5372 -15.5372 -14.9130 -14.9130 3.0844 3.0844 3.1077 3.1077 6.1596 6.1596 7.9651 7.9651 8.0316 8.0316 k = 0.5000 0.5000 0.7636 ( 1972 PWs) bands (ev): -33.3157 -33.3157 -17.3735 -17.3735 -15.5350 -15.5350 -14.9070 -14.9070 3.0581 3.0581 3.0801 3.0801 6.2395 6.2395 8.0488 8.0488 8.0576 8.0576 k = 0.5000 0.5000 0.7792 ( 1972 PWs) bands (ev): -33.3103 -33.3103 -17.3966 -17.3966 -15.5330 -15.5330 -14.9018 -14.9018 3.0351 3.0351 3.0560 3.0560 6.3134 6.3134 8.0805 8.0805 8.1274 8.1274 k = 0.5000 0.5000 0.7948 ( 1976 PWs) bands (ev): -33.3057 -33.3057 -17.4163 -17.4163 -15.5312 -15.5312 -14.8973 -14.8973 3.0154 3.0154 3.0353 3.0353 6.3799 6.3799 8.1003 8.1003 8.1993 8.1993 k = 0.5000 0.5000 0.8104 ( 1976 PWs) bands (ev): -33.3020 -33.3020 -17.4326 -17.4326 -15.5297 -15.5297 -14.8937 -14.8937 2.9992 2.9992 3.0183 3.0183 6.4374 6.4374 8.1166 8.1166 8.2628 8.2628 k = 0.5000 0.5000 0.8260 ( 1976 PWs) bands (ev): -33.2990 -33.2990 -17.4452 -17.4452 -15.5284 -15.5284 -14.8908 -14.8908 2.9865 2.9865 3.0050 3.0050 6.4843 6.4843 8.1295 8.1295 8.3157 8.3157 k = 0.5000 0.5000 0.8416 ( 1968 PWs) bands (ev): -33.2969 -33.2969 -17.4543 -17.4543 -15.5275 -15.5275 -14.8887 -14.8887 2.9773 2.9773 2.9954 2.9954 6.5191 6.5191 8.1388 8.1388 8.3559 8.3559 k = 0.5000 0.5000 0.8571 ( 1968 PWs) bands (ev): -33.2956 -33.2956 -17.4598 -17.4598 -15.5270 -15.5270 -14.8875 -14.8875 2.9719 2.9719 2.9897 2.9897 6.5406 6.5406 8.1444 8.1444 8.3811 8.3811 k = 0.5000 0.5000 0.8727 ( 1968 PWs) bands (ev): -33.2952 -33.2952 -17.4616 -17.4616 -15.5268 -15.5268 -14.8871 -14.8871 2.9700 2.9700 2.9877 2.9877 6.5478 6.5478 8.1462 8.1462 8.3896 8.3896 Writing output data file Sr.save init_run : 0.18s CPU 0.30s WALL ( 1 calls) electrons : 34.78s CPU 35.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 34.78s CPU 35.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 397 calls) cegterg : 32.34s CPU 32.95s WALL ( 476 calls) Called by sum_band: Called by *egterg: h_psi : 16.11s CPU 16.91s WALL ( 7946 calls) s_psi : 0.36s CPU 0.40s WALL ( 7946 calls) g_psi : 0.06s CPU 0.05s WALL ( 7073 calls) cdiaghg : 14.98s CPU 14.76s WALL ( 7470 calls) cegterg:over : 0.84s CPU 0.94s WALL ( 7073 calls) cegterg:upda : 0.74s CPU 0.78s WALL ( 7073 calls) cegterg:last : 0.34s CPU 0.41s WALL ( 1386 calls) cdiaghg:chol : 0.69s CPU 0.81s WALL ( 7470 calls) cdiaghg:inve : 0.16s CPU 0.18s WALL ( 7470 calls) cdiaghg:para : 0.94s CPU 1.08s WALL ( 14940 calls) Called by h_psi: h_psi:vloc : 15.12s CPU 15.89s WALL ( 7946 calls) h_psi:vnl : 0.95s CPU 0.98s WALL ( 7946 calls) add_vuspsi : 0.50s CPU 0.49s WALL ( 7946 calls) General routines calbec : 0.44s CPU 0.47s WALL ( 7946 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.29s CPU 15.00s WALL ( 307492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.14s WALL ( 794 calls) Parallel routines fft_scatter : 6.70s CPU 7.02s WALL ( 307515 calls) PWSCF : 40.86s CPU 57.01s WALL This run was terminated on: 21:17:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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