Program PWSCF v.5.1.1 starts on 29Aug2015 at 1:57:14 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 22 6 2462 562 90 Max 61 23 7 2467 589 95 Sum 2917 1101 333 118265 27609 4457 bravais-lattice index = 14 lattice parameter (alat) = 9.1954 a.u. unit-cell volume = 777.5222 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.195407 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Al 3.00 26.98150 Al( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops. (no inversion) found ( 9 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 0.87 -0.87 G_7 0.00 0.00 0.00 -0.87 0.87 -0.87 0.87 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 4C3' 5 7 8 6 4C3 9 12 10 11 -E -1 -4C3' -5 -7 -8 -6 -4C3 -9 -12 -10 -11 Cartesian axes number of k points= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 Dense grid: 118265 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27609 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 152, 62) NL pseudopotentials 0.22 Mb ( 76, 192) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2465) G-vector shells 0.00 Mb ( 570) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 152, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.36 Mb ( 192, 2, 62) The potential is recalculated from file : ./AlPt.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.1 secs Computing kpt #: 2 total cpu time spent up to now is 51.1 secs Computing kpt #: 3 total cpu time spent up to now is 57.2 secs Computing kpt #: 4 total cpu time spent up to now is 63.1 secs Computing kpt #: 5 total cpu time spent up to now is 69.5 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.8 secs Computing kpt #: 7 total cpu time spent up to now is 79.7 secs Computing kpt #: 8 total cpu time spent up to now is 83.5 secs Computing kpt #: 9 total cpu time spent up to now is 87.2 secs Computing kpt #: 10 total cpu time spent up to now is 90.8 secs Computing kpt #: 11 total cpu time spent up to now is 94.4 secs Computing kpt #: 12 total cpu time spent up to now is 97.9 secs Computing kpt #: 13 total cpu time spent up to now is 101.4 secs Computing kpt #: 14 total cpu time spent up to now is 104.8 secs Computing kpt #: 15 total cpu time spent up to now is 108.1 secs Computing kpt #: 16 total cpu time spent up to now is 111.4 secs Computing kpt #: 17 total cpu time spent up to now is 114.6 secs Computing kpt #: 18 total cpu time spent up to now is 117.8 secs Computing kpt #: 19 total cpu time spent up to now is 121.0 secs Computing kpt #: 20 total cpu time spent up to now is 125.7 secs Computing kpt #: 21 total cpu time spent up to now is 129.0 secs Computing kpt #: 22 total cpu time spent up to now is 132.2 secs Computing kpt #: 23 total cpu time spent up to now is 135.4 secs Computing kpt #: 24 total cpu time spent up to now is 138.7 secs Computing kpt #: 25 total cpu time spent up to now is 142.2 secs Computing kpt #: 26 total cpu time spent up to now is 145.8 secs Computing kpt #: 27 total cpu time spent up to now is 149.5 secs Computing kpt #: 28 total cpu time spent up to now is 154.5 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.4 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.4 secs Computing kpt #: 31 total cpu time spent up to now is 171.1 secs Computing kpt #: 32 total cpu time spent up to now is 175.4 secs Computing kpt #: 33 total cpu time spent up to now is 179.2 secs Computing kpt #: 34 total cpu time spent up to now is 182.9 secs Computing kpt #: 35 total cpu time spent up to now is 186.6 secs Computing kpt #: 36 total cpu time spent up to now is 190.2 secs Computing kpt #: 37 total cpu time spent up to now is 194.0 secs Computing kpt #: 38 total cpu time spent up to now is 197.8 secs Computing kpt #: 39 total cpu time spent up to now is 201.8 secs Computing kpt #: 40 total cpu time spent up to now is 205.5 secs Computing kpt #: 41 total cpu time spent up to now is 209.2 secs Computing kpt #: 42 total cpu time spent up to now is 213.0 secs Computing kpt #: 43 total cpu time spent up to now is 216.7 secs Computing kpt #: 44 total cpu time spent up to now is 220.5 secs Computing kpt #: 45 total cpu time spent up to now is 224.2 secs Computing kpt #: 46 total cpu time spent up to now is 227.9 secs Computing kpt #: 47 total cpu time spent up to now is 231.6 secs Computing kpt #: 48 total cpu time spent up to now is 235.3 secs Computing kpt #: 49 total cpu time spent up to now is 239.0 secs Computing kpt 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spent up to now is 299.3 secs Computing kpt #: 66 total cpu time spent up to now is 302.9 secs Computing kpt #: 67 total cpu time spent up to now is 306.6 secs Computing kpt #: 68 total cpu time spent up to now is 309.7 secs Computing kpt #: 69 total cpu time spent up to now is 313.2 secs Computing kpt #: 70 total cpu time spent up to now is 316.9 secs Computing kpt #: 71 total cpu time spent up to now is 320.6 secs Computing kpt #: 72 total cpu time spent up to now is 324.3 secs Computing kpt #: 73 total cpu time spent up to now is 328.0 secs Computing kpt #: 74 total cpu time spent up to now is 331.6 secs Computing kpt #: 75 total cpu time spent up to now is 335.4 secs Computing kpt #: 76 total cpu time spent up to now is 339.0 secs Computing kpt #: 77 total cpu time spent up to now is 342.6 secs Computing kpt #: 78 total cpu time spent up to now is 346.2 secs Computing kpt #: 79 total cpu time spent up to now is 349.7 secs Computing kpt #: 80 total cpu time spent up to now is 353.4 secs Computing kpt #: 81 total cpu time spent up to now is 357.0 secs Computing kpt #: 82 total cpu time spent up to now is 360.5 secs Computing kpt #: 83 total cpu time spent up to now is 364.6 secs Computing kpt #: 84 total cpu time spent up to now is 370.0 secs Computing kpt #: 85 total cpu time spent up to now is 374.0 secs Computing kpt #: 86 total cpu time spent up to now is 377.8 secs Computing kpt #: 87 total cpu time spent up to now is 381.4 secs Computing kpt #: 88 total cpu time spent up to now is 385.1 secs Computing kpt #: 89 total cpu time spent up to now is 388.8 secs Computing kpt #: 90 total cpu time spent up to now is 392.5 secs Computing kpt #: 91 total cpu time spent up to now is 396.3 secs Computing kpt #: 92 total cpu time spent up to now is 400.1 secs Computing kpt #: 93 total cpu time spent up to now is 404.2 secs Computing kpt #: 94 total cpu time spent up to now is 408.0 secs Computing kpt #: 95 total cpu time spent up to now is 411.7 secs Computing kpt #: 96 total cpu time spent up to now is 415.5 secs Computing kpt #: 97 total cpu time spent up to now is 419.2 secs Computing kpt #: 98 total cpu time spent up to now is 423.0 secs Computing kpt #: 99 total cpu time spent up to now is 427.7 secs Computing kpt #: 100 total cpu time spent up to now is 431.7 secs Computing kpt #: 101 total cpu time spent up to now is 435.5 secs Computing kpt #: 102 total cpu time spent up to now is 439.5 secs Computing kpt #: 103 total cpu time spent up to now is 443.3 secs Computing kpt #: 104 total cpu time spent up to now is 447.5 secs Computing kpt #: 105 total cpu time spent up to now is 451.4 secs Computing kpt #: 106 total cpu time spent up to now is 455.3 secs Computing kpt #: 107 total cpu time spent up to now is 459.5 secs Computing kpt #: 108 total cpu time spent up to now is 464.5 secs Computing kpt #: 109 total cpu time spent up to now is 469.7 secs Computing kpt #: 110 total cpu time spent up to now is 475.5 secs Computing kpt #: 111 total cpu time spent up to now is 480.7 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.7 secs Computing kpt #: 114 total cpu time spent up to now is 497.6 secs Computing kpt #: 115 total cpu time spent up to now is 502.8 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.6 secs Computing kpt #: 117 total cpu time spent up to now is 513.6 secs Computing kpt #: 118 total cpu time spent up to now is 518.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.4 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.7 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 543.8 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.8 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 555.9 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.9 secs Computing kpt #: 126 total cpu time spent up to now is 566.3 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.5 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 584.6 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 590.9 secs Computing kpt #: 131 total cpu time spent up to now is 595.9 secs Computing kpt #: 132 total cpu time spent up to now is 600.6 secs Computing kpt #: 133 total cpu time spent up to now is 605.1 secs Computing kpt #: 134 total cpu time spent up to now is 609.1 secs Computing kpt #: 135 total cpu time spent up to now is 612.7 secs Computing kpt #: 136 total cpu time spent up to now is 616.4 secs Computing kpt #: 137 total cpu time spent up to now is 619.8 secs Computing kpt #: 138 total cpu time spent up to now is 623.2 secs Computing kpt #: 139 total cpu time spent up to now is 626.4 secs Computing kpt #: 140 total cpu time spent up to now is 629.6 secs Computing kpt #: 141 total cpu time spent up to now is 632.8 secs Computing kpt #: 142 total cpu time spent up to now is 636.0 secs Computing kpt #: 143 total cpu time spent up to now is 639.3 secs Computing kpt #: 144 total cpu time spent up to now is 642.5 secs Computing kpt #: 145 total cpu time spent up to now is 645.7 secs Computing kpt #: 146 total cpu time spent up to now is 649.0 secs Computing kpt #: 147 total cpu time spent up to now is 652.3 secs Computing kpt #: 148 total cpu time spent up to now is 655.6 secs Computing kpt #: 149 total cpu time spent up to now is 658.9 secs Computing kpt #: 150 total cpu time spent up to now is 662.4 secs Computing kpt #: 151 total cpu time spent up to now is 667.0 secs Computing kpt #: 152 total cpu time spent up to now is 671.4 secs Computing kpt #: 153 total cpu time spent up to now is 675.1 secs Computing kpt #: 154 total cpu time spent up to now is 678.8 secs Computing kpt #: 155 total cpu time spent up to now is 682.6 secs Computing kpt #: 156 total cpu time spent up to now is 686.6 secs Computing kpt #: 157 total cpu time spent up to now is 690.8 secs Computing kpt #: 158 total cpu time spent up to now is 695.3 secs Computing kpt #: 159 total cpu time spent up to now is 699.7 secs Computing kpt #: 160 total cpu time spent up to now is 704.4 secs Computing kpt #: 161 total cpu time spent up to now is 708.5 secs Computing kpt #: 162 total cpu time spent up to now is 712.6 secs Computing kpt #: 163 total cpu time spent up to now is 716.6 secs Computing kpt #: 164 total cpu time spent up to now is 720.6 secs Computing kpt #: 165 total cpu time spent up to now is 724.7 secs Computing kpt #: 166 total cpu time spent up to now is 728.8 secs Computing kpt #: 167 total cpu time spent up to now is 733.4 secs Computing kpt #: 168 total cpu time spent up to now is 738.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 744.9 secs Computing kpt #: 170 total cpu time spent up to now is 750.0 secs Computing kpt #: 171 total cpu time spent up to now is 755.5 secs Computing kpt #: 172 total cpu time spent up to now is 759.2 secs Computing kpt #: 173 total cpu time spent up to now is 762.8 secs Computing kpt #: 174 total cpu time spent up to now is 767.8 secs Computing kpt #: 175 total cpu time spent up to now is 772.1 secs Computing kpt #: 176 total cpu time spent up to now is 776.7 secs Computing kpt #: 177 total cpu time spent up to now is 781.3 secs Computing kpt #: 178 total cpu time spent up to now is 786.3 secs Computing kpt #: 179 total cpu time spent up to now is 791.4 secs Computing kpt #: 180 total cpu time spent up to now is 796.4 secs Computing kpt #: 181 total cpu time spent up to now is 801.1 secs Computing kpt #: 182 total cpu time spent up to now is 805.8 secs Computing kpt #: 183 total cpu time spent up to now is 810.4 secs Computing kpt #: 184 total cpu time spent up to now is 815.1 secs Computing kpt #: 185 total cpu time spent up to now is 819.3 secs Computing kpt #: 186 total cpu time spent up to now is 823.6 secs Computing kpt #: 187 total cpu time spent up to now is 828.1 secs Computing kpt #: 188 total cpu time spent up to now is 832.6 secs Computing kpt #: 189 total cpu time spent up to now is 836.6 secs Computing kpt #: 190 total cpu time spent up to now is 840.6 secs Computing kpt #: 191 total cpu time spent up to now is 844.6 secs Computing kpt #: 192 total cpu time spent up to now is 848.5 secs Computing kpt #: 193 total cpu time spent up to now is 852.5 secs Computing kpt #: 194 total cpu time spent up to now is 856.4 secs Computing kpt #: 195 total cpu time spent up to now is 860.4 secs Computing kpt #: 196 total cpu time spent up to now is 864.2 secs Computing kpt #: 197 total cpu time spent up to now is 868.0 secs Computing kpt #: 198 total cpu time spent up to now is 871.8 secs Computing kpt #: 199 total cpu time spent up to now is 875.7 secs Computing kpt #: 200 total cpu time spent up to now is 879.5 secs Computing kpt #: 201 total cpu time spent up to now is 883.1 secs Computing kpt #: 202 total cpu time spent up to now is 886.9 secs Computing kpt #: 203 total cpu time spent up to now is 890.6 secs Computing kpt #: 204 total cpu time spent up to now is 894.2 secs Computing kpt #: 205 total cpu time spent up to now is 897.8 secs Computing kpt #: 206 total cpu time spent up to now is 902.1 secs Computing kpt #: 207 total cpu time spent up to now is 905.7 secs Computing kpt #: 208 total cpu time spent up to now is 909.7 secs Computing kpt #: 209 total cpu time spent up to now is 913.7 secs Computing kpt #: 210 total cpu time spent up to now is 917.6 secs Computing kpt #: 211 total cpu time spent up to now is 921.3 secs Computing kpt #: 212 total cpu time spent up to now is 925.1 secs Computing kpt #: 213 total cpu time spent up to now is 928.8 secs Computing kpt #: 214 total cpu time spent up to now is 932.5 secs Computing kpt #: 215 total cpu time spent up to now is 936.2 secs Computing kpt #: 216 total cpu time spent up to now is 940.1 secs Computing kpt #: 217 total cpu time spent up to now is 943.8 secs Computing kpt #: 218 total cpu time spent up to now is 947.5 secs Computing kpt #: 219 total cpu time spent up to now is 951.2 secs Computing kpt #: 220 total cpu time spent up to now is 954.6 secs Computing kpt #: 221 total cpu time spent up to now is 958.3 secs Computing kpt #: 222 total cpu time spent up to now is 961.9 secs Computing kpt #: 223 total cpu time spent up to now is 966.5 secs Computing kpt #: 224 total cpu time spent up to now is 971.6 secs Computing kpt #: 225 total cpu time spent up to now is 975.4 secs Computing kpt #: 226 total cpu time spent up to now is 979.2 secs Computing kpt #: 227 total cpu time spent up to now is 983.0 secs Computing kpt #: 228 total cpu time spent up to now is 986.8 secs Computing kpt #: 229 total cpu time spent up to now is 990.5 secs Computing kpt #: 230 total cpu time spent up to now is 994.2 secs Computing kpt #: 231 total cpu time spent up to now is 998.0 secs Computing kpt #: 232 total cpu time spent up to now is 1003.1 secs Computing kpt #: 233 total cpu time spent up to now is 1006.8 secs Computing kpt #: 234 total cpu time spent up to now is 1010.5 secs Computing kpt #: 235 total cpu time spent up to now is 1014.2 secs Computing kpt #: 236 total cpu time spent up to now is 1018.0 secs Computing kpt #: 237 total cpu time spent up to now is 1021.7 secs Computing kpt #: 238 total cpu time spent up to now is 1025.6 secs Computing kpt #: 239 total cpu time spent up to now is 1029.5 secs Computing kpt #: 240 total cpu time spent up to now is 1033.4 secs Computing kpt #: 241 total cpu time spent up to now is 1037.4 secs Computing kpt #: 242 total cpu time spent up to now is 1041.3 secs Computing kpt #: 243 total cpu time spent up to now is 1045.4 secs Computing kpt #: 244 total cpu time spent up to now is 1049.5 secs Computing kpt #: 245 total cpu time spent up to now is 1053.7 secs Computing kpt #: 246 total cpu time spent up to now is 1057.9 secs Computing kpt #: 247 total cpu time spent up to now is 1062.4 secs Computing kpt #: 248 total cpu time spent up to now is 1066.5 secs Computing kpt #: 249 total cpu time spent up to now is 1070.6 secs Computing kpt #: 250 total cpu time spent up to now is 1074.7 secs Computing kpt #: 251 total cpu time spent up to now is 1079.0 secs Computing kpt #: 252 total cpu time spent up to now is 1084.0 secs Computing kpt #: 253 total cpu time spent up to now is 1087.6 secs ethr = 1.92E-11, avg # of iterations = 57.8 total cpu time spent up to now is 1087.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 2.7223 2.7223 7.0373 7.0373 7.0373 7.0373 7.1531 7.1531 8.2056 8.2056 8.3720 8.3720 8.3720 8.3720 8.8242 8.8242 8.8242 8.8242 9.1228 9.1228 9.2633 9.2633 9.4624 9.4624 9.4624 9.4624 9.9187 9.9187 9.9187 9.9187 10.0381 10.0381 10.7203 10.7203 10.7203 10.7203 10.9245 10.9245 12.0510 12.0510 12.0834 12.0834 12.0834 12.0834 12.6093 12.6093 12.6093 12.6093 13.8405 13.8405 14.0696 14.0696 14.0696 14.0696 18.3332 18.3332 18.3332 18.3332 18.4336 18.4336 18.4543 18.4543 k = 0.0000 0.0152-0.0000 ( 3407 PWs) bands (ev): 2.7240 2.7240 7.0131 7.0238 7.0474 7.0590 7.1352 7.1716 8.2039 8.2066 8.3501 8.3585 8.3857 8.3918 8.8149 8.8162 8.8319 8.8365 9.1092 9.1381 9.2369 9.2946 9.4381 9.4439 9.4782 9.4824 9.8749 9.8870 9.9458 9.9606 10.0138 10.0671 10.6939 10.7006 10.7437 10.7484 10.9103 10.9399 12.0121 12.0587 12.0726 12.0921 12.0988 12.0991 12.5547 12.5845 12.6339 12.6660 13.7865 13.8876 14.0000 14.0479 14.0993 14.1435 18.2880 18.3019 18.3098 18.3348 18.3868 18.4024 18.4239 18.4529 k = 0.0000 0.0303-0.0000 ( 3419 PWs) bands (ev): 2.7291 2.7291 6.9861 7.0051 7.0552 7.0784 7.1193 7.1897 8.2012 8.2070 8.3261 8.3450 8.3998 8.4096 8.8084 8.8088 8.8392 8.8516 9.0957 9.1562 9.2170 9.3292 9.4106 9.4232 9.4911 9.4972 9.8306 9.8524 9.9672 9.9852 10.0097 10.0996 10.6698 10.6852 10.7699 10.7778 10.8972 10.9564 11.9723 12.0419 12.0599 12.0988 12.1166 12.1369 12.5027 12.5586 12.6589 12.7238 13.7304 13.9174 13.9400 14.0297 14.1426 14.2218 18.1979 18.2382 18.2459 18.2558 18.3670 18.3730 18.4150 18.4484 k = 0.0000 0.0455-0.0000 ( 3419 PWs) bands (ev): 2.7375 2.7375 6.9559 6.9803 7.0617 7.0955 7.1066 7.2066 8.1974 8.2063 8.3003 8.3315 8.4146 8.4261 8.8012 8.8058 8.8458 8.8692 9.0812 9.1778 9.2046 9.3640 9.3811 9.4022 9.5002 9.5063 9.7867 9.8165 9.9736 9.9827 10.0448 10.1347 10.6486 10.6745 10.7982 10.8081 10.8854 10.9739 11.9341 12.0233 12.0453 12.1037 12.1345 12.1732 12.4536 12.5312 12.6851 12.7819 13.6746 13.8691 13.9483 14.0123 14.2019 14.3044 18.0750 18.1309 18.1722 18.1839 18.3150 18.3312 18.4082 18.4415 k = 0.0000 0.0606-0.0000 ( 3419 PWs) bands (ev): 2.7494 2.7494 6.9221 6.9488 7.0673 7.0960 7.1120 7.2221 8.1918 8.2038 8.2739 8.3183 8.4303 8.4419 8.7949 8.8055 8.8516 8.8887 9.0656 9.1992 9.2029 9.3476 9.3701 9.4116 9.5016 9.5124 9.7438 9.7805 9.9649 9.9926 10.0803 10.1715 10.6308 10.6686 10.8275 10.8388 10.8754 10.9925 11.8984 12.0038 12.0290 12.1066 12.1526 12.2052 12.4079 12.5018 12.7131 12.8389 13.6206 13.8118 13.9585 13.9943 14.2753 14.3919 17.9398 18.0051 18.1019 18.1024 18.2229 18.2682 18.3749 18.4135 k = 0.0000 0.0758-0.0000 ( 3435 PWs) bands (ev): 2.7646 2.7646 6.8845 6.9112 7.0724 7.0888 7.1261 7.2359 8.1839 8.1968 8.2499 8.3058 8.4471 8.4576 8.7897 8.8077 8.8568 8.9094 9.0498 9.1992 9.2311 9.3137 9.3465 9.4498 9.4932 9.5169 9.7025 9.7460 9.9628 9.9980 10.1127 10.2092 10.6171 10.6671 10.8525 10.8697 10.8720 11.0124 11.8655 11.9832 12.0109 12.1077 12.1708 12.2316 12.3657 12.4704 12.7429 12.8933 13.5693 13.7589 13.9610 13.9749 14.3598 14.4842 17.7979 17.8717 18.0156 18.0288 18.1101 18.1823 18.2917 18.4075 k = 0.0000 0.0909-0.0000 ( 3443 PWs) bands (ev): 2.7831 2.7832 6.8427 6.8678 7.0772 7.0833 7.1390 7.2480 8.1733 8.1803 8.2337 8.2943 8.4652 8.4740 8.7859 8.8120 8.8613 8.9306 9.0353 9.2028 9.2590 9.2789 9.3238 9.4769 9.4894 9.5182 9.6631 9.7147 9.9674 10.0001 10.1412 10.2471 10.6080 10.6695 10.8529 10.8950 10.9005 11.0336 11.8355 11.9614 11.9913 12.1070 12.1889 12.2518 12.3271 12.4369 12.7737 12.9432 13.5218 13.7117 13.9538 13.9580 14.4531 14.5817 17.6524 17.7330 17.9259 17.9523 17.9893 18.0818 18.1976 18.3615 k = 0.0000 0.1061-0.0000 ( 3443 PWs) bands (ev): 2.8051 2.8051 6.7965 6.8191 7.0791 7.0817 7.1507 7.2585 8.1540 8.1596 8.2262 8.2843 8.4843 8.4914 8.7835 8.8179 8.8654 8.9513 9.0231 9.2079 9.2395 9.2751 9.3196 9.4546 9.5150 9.5283 9.6258 9.6885 9.9779 10.0006 10.1655 10.2845 10.6037 10.6750 10.8467 10.9261 10.9309 11.0565 11.8087 11.9380 11.9704 12.1045 12.2067 12.2645 12.2932 12.4017 12.8039 12.9861 13.4790 13.6718 13.9307 13.9509 14.5538 14.6844 17.5051 17.5909 17.8347 17.8492 17.8911 17.9737 18.1005 18.2872 k = 0.0000 0.1212-0.0000 ( 3447 PWs) bands (ev): 2.8303 2.8304 6.7456 6.7653 7.0757 7.0860 7.1614 7.2675 8.1227 8.1432 8.2229 8.2758 8.5044 8.5103 8.7827 8.8250 8.8691 8.9696 9.0153 9.2020 9.2127 9.2591 9.3490 9.4286 9.5059 9.5649 9.5909 9.6697 9.9929 10.0013 10.1856 10.3210 10.6043 10.6826 10.8408 10.9580 10.9608 11.0810 11.7848 11.9129 11.9483 12.1005 12.2230 12.2543 12.2801 12.3659 12.8310 13.0195 13.4423 13.6409 13.9057 13.9407 14.6609 14.7921 17.3579 17.4475 17.7222 17.7427 17.8172 17.8625 18.0042 18.2032 k = 0.0000 0.1364-0.0000 ( 3443 PWs) bands (ev): 2.8589 2.8589 6.6898 6.7066 7.0730 7.0902 7.1712 7.2750 8.0895 8.1246 8.2210 8.2685 8.5253 8.5308 8.7833 8.8331 8.8725 8.9809 9.0162 9.1648 9.2153 9.2382 9.3877 9.4014 9.4906 9.5576 9.5986 9.6598 10.0043 10.0111 10.2020 10.3563 10.6093 10.6917 10.8356 10.9897 10.9902 11.1075 11.7637 11.8859 11.9251 12.0948 12.2264 12.2345 12.2834 12.3332 12.8521 13.0407 13.4133 13.6207 13.8786 13.9280 14.7731 14.9044 17.2121 17.3049 17.5939 17.6500 17.7479 17.7515 17.9108 18.1165 k = 0.0000 0.1515-0.0000 ( 3447 PWs) bands (ev): 2.8908 2.8908 6.6291 6.6430 7.0707 7.0943 7.1802 7.2812 8.0559 8.1046 8.2196 8.2621 8.5464 8.5530 8.7853 8.8420 8.8751 8.9832 9.0276 9.1291 9.2137 9.2187 9.3754 9.4287 9.4704 9.5274 9.6270 9.6582 10.0114 10.0313 10.2156 10.3900 10.6182 10.7015 10.8311 11.0175 11.0224 11.1359 11.7452 11.8570 11.9006 12.0876 12.1997 12.2304 12.2853 12.3145 12.8644 13.0482 13.3937 13.6121 13.8495 13.9136 14.8890 15.0202 17.0696 17.1656 17.4673 17.5554 17.6438 17.6817 17.8213 18.0303 k = 0.0000 0.1667-0.0000 ( 3451 PWs) bands (ev): 2.9260 2.9260 6.5633 6.5747 7.0688 7.0982 7.1883 7.2861 8.0225 8.0839 8.2181 8.2564 8.5673 8.5767 8.7887 8.8517 8.8765 8.9828 9.0429 9.0966 9.2022 9.2065 9.3524 9.4477 9.4651 9.5051 9.6498 9.6637 10.0244 10.0524 10.2274 10.4218 10.6301 10.7115 10.8271 11.0438 11.0544 11.1664 11.7292 11.8260 11.8751 12.0789 12.1751 12.2030 12.2860 12.3180 12.8656 13.0420 13.3844 13.6140 13.8186 13.8984 15.0065 15.1381 16.9322 17.0320 17.3437 17.4571 17.5426 17.6189 17.7366 17.9459 k = 0.0000 0.1818-0.0000 ( 3451 PWs) bands (ev): 2.9644 2.9645 6.4927 6.5017 7.0673 7.1019 7.1956 7.2899 7.9900 8.0631 8.2163 8.2509 8.5873 8.6017 8.7933 8.8617 8.8762 8.9838 9.0575 9.0686 9.1892 9.1938 9.3329 9.4248 9.4603 9.5261 9.6669 9.6746 10.0440 10.0735 10.2388 10.4514 10.6441 10.7215 10.8233 11.0683 11.0860 11.1987 11.7154 11.7931 11.8485 12.0686 12.1527 12.1634 12.2866 12.3332 12.8552 13.0242 13.3848 13.6230 13.7859 13.8839 15.1228 15.2556 16.8026 16.9073 17.2239 17.3542 17.4500 17.5600 17.6571 17.8643 k = 0.0000 0.1970-0.0000 ( 3451 PWs) bands (ev): 3.0061 3.0061 6.4173 6.4243 7.0660 7.1055 7.2021 7.2925 7.9588 8.0430 8.2137 8.2455 8.6058 8.6275 8.7989 8.8666 8.8791 8.9873 9.0467 9.0696 9.1777 9.1803 9.3157 9.4035 9.4362 9.5668 9.6798 9.6897 10.0700 10.0937 10.2509 10.4785 10.6594 10.7315 10.8195 11.0909 11.1168 11.2326 11.7037 11.7580 11.8210 12.0563 12.1205 12.1325 12.2879 12.3522 12.8345 12.9979 13.3929 13.6342 13.7517 13.8721 15.2337 15.3687 16.6842 16.7957 17.1089 17.2483 17.3654 17.5054 17.5832 17.7859 k = 0.0000 0.2121-0.0000 ( 3455 PWs) bands (ev): 3.0509 3.0510 6.3374 6.3428 7.0650 7.1090 7.2077 7.2941 7.9292 8.0239 8.2102 8.2401 8.6224 8.6537 8.8052 8.8596 8.8915 8.9936 9.0315 9.0774 9.1617 9.1758 9.2993 9.3848 9.4119 9.6048 9.6929 9.7078 10.1016 10.1124 10.2651 10.5027 10.6755 10.7414 10.8157 11.1111 11.1460 11.2678 11.6940 11.7207 11.7929 12.0394 12.0798 12.1145 12.2910 12.3724 12.8053 12.9660 13.4058 13.6419 13.7165 13.8659 15.3332 15.4709 16.5817 16.7022 17.0000 17.1418 17.2874 17.4557 17.5156 17.7112 k = 0.0000 0.2273-0.0000 ( 3471 PWs) bands (ev): 3.0990 3.0991 6.2532 6.2573 7.0642 7.1124 7.2125 7.2946 7.9017 8.0062 8.2054 8.2345 8.6367 8.6798 8.8120 8.8476 8.9069 9.0030 9.0228 9.0784 9.1503 9.1759 9.2828 9.3687 9.3892 9.6312 9.7145 9.7280 10.1293 10.1372 10.2820 10.5241 10.6918 10.7514 10.8117 11.1288 11.1727 11.3036 11.6812 11.6862 11.7645 12.0110 12.0501 12.0988 12.2964 12.3928 12.7701 12.9315 13.4204 13.6412 13.6806 13.8678 15.4136 15.5528 16.5009 16.6333 16.9005 17.0369 17.2147 17.4116 17.4552 17.6406 k = 0.0000 0.2424-0.0000 ( 3459 PWs) bands (ev): 3.1502 3.1503 6.1652 6.1682 7.0637 7.1157 7.2162 7.2942 7.8765 7.9902 8.1990 8.2284 8.6490 8.7052 8.8190 8.8335 8.9231 9.0153 9.0195 9.0715 9.1460 9.1804 9.2669 9.3548 9.3686 9.6425 9.7492 9.7493 10.1443 10.1754 10.3020 10.5425 10.7079 10.7615 10.8075 11.1438 11.1956 11.3396 11.6398 11.6805 11.7361 11.9725 12.0316 12.0857 12.3045 12.4122 12.7308 12.8970 13.4336 13.6301 13.6453 13.8783 15.4665 15.6034 16.4454 16.5939 16.8167 16.9363 17.1470 17.3743 17.4038 17.5748 k = 0.0000 0.2576-0.0000 ( 3459 PWs) bands (ev): 3.2045 3.2046 6.0737 6.0759 7.0635 7.1189 7.2189 7.2928 7.8538 7.9761 8.1907 8.2219 8.6594 8.7295 8.8191 8.8260 8.9385 9.0205 9.0294 9.0602 9.1467 9.1891 9.2529 9.3424 9.3509 9.6450 9.7707 9.7913 10.1579 10.2147 10.3249 10.5582 10.7233 10.7716 10.8036 11.1560 11.2129 11.3748 11.5970 11.6771 11.7081 11.9333 12.0163 12.0756 12.3156 12.4297 12.6890 12.8650 13.4421 13.6094 13.6121 13.8948 15.4868 15.6152 16.4075 16.5819 16.7615 16.8450 17.0838 17.3450 17.3643 17.5148 k = 0.0000 0.2727-0.0000 ( 3455 PWs) bands (ev): 3.2619 3.2621 5.9792 5.9807 7.0636 7.1221 7.2204 7.2905 7.8340 7.9642 8.1805 8.2146 8.6683 8.7525 8.8059 8.8325 8.9513 9.0245 9.0383 9.0542 9.1488 9.2019 9.2428 9.3312 9.3369 9.6443 9.7914 9.8358 10.1707 10.2538 10.3501 10.5719 10.7368 10.7814 10.8011 11.1654 11.2229 11.4081 11.5538 11.6763 11.6807 11.8972 12.0019 12.0687 12.3293 12.4438 12.6463 12.8379 13.4416 13.5816 13.5843 13.9137 15.4762 15.5918 16.3644 16.5761 16.7500 16.7778 17.0252 17.3244 17.3416 17.4641 k = 0.0000 0.2879-0.0000 ( 3463 PWs) bands (ev): 3.3224 3.3225 5.8820 5.8830 7.0641 7.1253 7.2207 7.2873 7.8172 7.9543 8.1682 8.2066 8.6760 8.7741 8.7950 8.8385 8.9607 9.0296 9.0305 9.0654 9.1499 9.2189 9.2393 9.3213 9.3273 9.6432 9.8105 9.8804 10.1834 10.2914 10.3770 10.5845 10.7463 10.7901 10.8023 11.1721 11.2240 11.4361 11.5136 11.6542 11.6784 11.8658 11.9877 12.0654 12.3449 12.4531 12.6043 12.8183 13.4281 13.5487 13.5649 13.9319 15.4430 15.5447 16.3019 16.5370 16.7589 16.7789 16.9713 17.3086 17.3431 17.4330 k = 0.0000 0.3030-0.0000 ( 3463 PWs) bands (ev): 3.3858 3.3859 5.7826 5.7833 7.0649 7.1286 7.2197 7.2833 7.8036 7.9467 8.1539 8.1977 8.6827 8.7873 8.7943 8.8438 8.9671 9.0209 9.0332 9.0771 9.1489 9.2398 9.2439 9.3138 9.3226 9.6434 9.8275 9.9237 10.1964 10.3262 10.4048 10.5972 10.7493 10.7969 10.8096 11.1764 11.2154 11.4396 11.4957 11.6288 11.6829 11.8399 11.9739 12.0659 12.3608 12.4567 12.5656 12.8083 13.4016 13.5123 13.5532 13.9468 15.3970 15.4859 16.2247 16.4633 16.7719 16.8232 16.9220 17.2843 17.3769 17.4429 k = 0.0000 0.3182-0.0000 ( 3459 PWs) bands (ev): 3.4521 3.4523 5.6815 5.6819 7.0663 7.1319 7.2174 7.2785 7.7932 7.9414 8.1376 8.1879 8.6884 8.7831 8.8132 8.8483 8.9713 9.0130 9.0333 9.0839 9.1466 9.2539 9.2639 9.3122 9.3231 9.6460 9.8419 9.9651 10.2102 10.3567 10.4327 10.6115 10.7464 10.8007 10.8226 11.1787 11.1979 11.4069 11.5126 11.6047 11.6889 11.8195 11.9605 12.0698 12.3731 12.4550 12.5348 12.8087 13.3664 13.4735 13.5446 13.9561 15.3471 15.4241 16.1409 16.3772 16.7819 16.8611 16.8779 17.2479 17.4461 17.5024 k = 0.0000 0.3333-0.0000 ( 3483 PWs) bands (ev): 3.5214 3.5215 5.5789 5.5791 7.0681 7.1353 7.2138 7.2730 7.7861 7.9381 8.1197 8.1770 8.6930 8.7824 8.8309 8.8525 8.9740 9.0070 9.0291 9.0849 9.1444 9.2604 9.2888 9.3240 9.3293 9.6522 9.8532 10.0036 10.2248 10.3819 10.4599 10.6287 10.7399 10.8002 10.8384 11.1736 11.1798 11.3680 11.5347 11.5823 11.6943 11.8042 11.9477 12.0763 12.3755 12.4503 12.5193 12.8183 13.3264 13.4336 13.5348 13.9580 15.2999 15.3647 16.0550 16.2884 16.7778 16.8392 16.8840 17.2073 17.5449 17.6010 k = 0.0000 0.3485-0.0000 ( 3475 PWs) bands (ev): 3.5934 3.5936 5.4754 5.4754 7.0704 7.1390 7.2090 7.2669 7.7821 7.9371 8.1003 8.1652 8.6969 8.7848 8.8471 8.8571 8.9757 9.0027 9.0214 9.0811 9.1430 9.2590 9.3104 9.3424 9.3515 9.6630 9.8613 10.0386 10.2404 10.4010 10.4855 10.6493 10.7317 10.7943 10.8543 11.1462 11.1803 11.3310 11.5501 11.5668 11.6967 11.7934 11.9354 12.0833 12.3653 12.4456 12.5238 12.8350 13.2842 13.3937 13.5212 13.9510 15.2601 15.3114 15.9695 16.1998 16.7614 16.8062 16.8941 17.1670 17.6624 17.7255 k = 0.0000 0.3636-0.0000 ( 3479 PWs) bands (ev): 3.6683 3.6684 5.3711 5.3712 7.0733 7.1429 7.2030 7.2602 7.7814 7.9380 8.0797 8.1525 8.7006 8.7893 8.8577 8.8664 8.9766 8.9993 9.0116 9.0741 9.1426 9.2536 9.3261 9.3622 9.3884 9.6795 9.8662 10.0693 10.2570 10.4146 10.5087 10.6727 10.7225 10.7831 10.8665 11.1212 11.1806 11.2983 11.5366 11.5796 11.6939 11.7864 11.9237 12.0870 12.3506 12.4445 12.5429 12.8557 13.2415 13.3555 13.5026 13.9341 15.2307 15.2664 15.8858 16.1128 16.7384 16.7775 16.8963 17.1287 17.7879 17.8642 k = 0.0000 0.3788-0.0000 ( 3478 PWs) bands (ev): 3.7458 3.7459 5.2666 5.2667 7.0767 7.1470 7.1960 7.2532 7.7836 7.9410 8.0581 8.1390 8.7047 8.7948 8.8630 8.8806 8.9763 8.9964 9.0010 9.0652 9.1432 9.2472 9.3385 9.3835 9.4301 9.7025 9.8678 10.0950 10.2746 10.4236 10.5288 10.6948 10.7130 10.7695 10.8698 11.1060 11.1792 11.2724 11.5176 11.5977 11.6841 11.7828 11.9121 12.0825 12.3425 12.4496 12.5692 12.8768 13.1998 13.3212 13.4785 13.9071 15.2135 15.2309 15.8047 16.0277 16.7140 16.7514 16.8944 17.0928 17.9124 18.0080 k = 0.0000 0.3939-0.0000 ( 3482 PWs) bands (ev): 3.8259 3.8261 5.1621 5.1623 7.0808 7.1514 7.1883 7.2458 7.7886 7.9457 8.0360 8.1247 8.7095 8.7999 8.8683 8.8945 8.9744 8.9917 8.9934 9.0552 9.1450 9.2405 9.3501 9.4019 9.4742 9.7322 9.8661 10.1148 10.2933 10.4297 10.5449 10.7017 10.7034 10.7672 10.8598 11.1070 11.1723 11.2574 11.4988 11.6161 11.6666 11.7818 11.9004 12.0664 12.3475 12.4624 12.5976 12.8942 13.1606 13.2944 13.4489 13.8707 15.2058 15.2089 15.7266 15.9451 16.6913 16.7271 16.8912 17.0598 18.0288 18.1495 k = 0.0000 0.4091-0.0000 ( 3482 PWs) bands (ev): 3.9086 3.9087 5.0579 5.0581 7.0855 7.1562 7.1799 7.2381 7.7962 7.9522 8.0135 8.1099 8.7153 8.8036 8.8742 8.9074 8.9702 8.9854 8.9899 9.0445 9.1481 9.2337 9.3614 9.4161 9.5193 9.7681 9.8611 10.1278 10.3130 10.4343 10.5560 10.6824 10.6945 10.7878 10.8376 11.1250 11.1564 11.2562 11.4803 11.6354 11.6416 11.7830 11.8883 12.0393 12.3659 12.4833 12.6244 12.9028 13.1262 13.2795 13.4141 13.8260 15.1913 15.2165 15.6520 15.8649 16.6714 16.7047 16.8882 17.0296 18.1318 18.2826 k = 0.0000 0.4242-0.0000 ( 3466 PWs) bands (ev): 3.9937 3.9939 4.9542 4.9545 7.0908 7.1613 7.1711 7.2303 7.8061 7.9603 7.9909 8.0948 8.7223 8.8049 8.8812 8.9189 8.9650 8.9816 8.9860 9.0337 9.1526 9.2270 9.3726 9.4257 9.5642 9.8091 9.8528 10.1332 10.3341 10.4390 10.5604 10.6516 10.6873 10.8090 10.8179 11.1336 11.1557 11.2655 11.4618 11.6097 11.6564 11.7860 11.8761 12.0046 12.3945 12.5116 12.6460 12.8983 13.0995 13.2806 13.3750 13.7748 15.1870 15.2351 15.5814 15.7876 16.6549 16.6845 16.8864 17.0024 18.2186 18.4019 k = 0.0000 0.4394-0.0000 ( 3466 PWs) bands (ev): 4.0811 4.0814 4.8514 4.8517 7.0968 7.1620 7.1668 7.2225 7.8183 7.9685 7.9698 8.0794 8.7305 8.8031 8.8890 8.9285 8.9611 8.9787 8.9817 9.0231 9.1584 9.2200 9.3836 9.4311 9.6079 9.8410 9.8535 10.1301 10.3568 10.4451 10.5564 10.6176 10.6829 10.7799 10.8508 11.1071 11.1947 11.2809 11.4431 11.5721 11.6800 11.7905 11.8639 11.9656 12.4297 12.5464 12.6585 12.8796 13.0841 13.2985 13.3325 13.7187 15.1926 15.2634 15.5151 15.7131 16.6420 16.6669 16.8864 16.9782 18.2887 18.4914 k = 0.0000 0.4545-0.0000 ( 3458 PWs) bands (ev): 4.1709 4.1711 4.7496 4.7499 7.1033 7.1529 7.1727 7.2147 7.8324 7.9464 7.9806 8.0639 8.7397 8.7983 8.8977 8.9349 8.9595 8.9757 8.9784 9.0130 9.1653 9.2128 9.3942 9.4328 9.6495 9.8256 9.8997 10.1181 10.3813 10.4537 10.5430 10.5839 10.6826 10.7540 10.8846 11.0785 11.2391 11.2996 11.4239 11.5299 11.7065 11.7963 11.8520 11.9247 12.4687 12.5861 12.6584 12.8491 13.0827 13.2880 13.3310 13.6596 15.2074 15.3002 15.4534 15.6418 16.6328 16.6521 16.8885 16.9568 18.3438 18.4848 k = 0.0000 0.4697-0.0000 ( 3458 PWs) bands (ev): 4.2628 4.2630 4.6491 4.6494 7.1105 7.1438 7.1789 7.2071 7.8482 7.9248 7.9925 8.0486 8.7497 8.7908 8.9070 8.9366 8.9601 8.9724 8.9779 9.0037 9.1730 9.2053 9.4042 9.4314 9.6884 9.8062 9.9461 10.0971 10.4078 10.4655 10.5214 10.5526 10.6863 10.7328 10.9184 11.0484 11.2867 11.3201 11.4041 11.4841 11.7362 11.8032 11.8406 11.8835 12.5093 12.6295 12.6451 12.8106 13.0962 13.2428 13.3741 13.5991 15.2309 15.3441 15.3968 15.5739 16.6272 16.6404 16.8931 16.9384 18.3862 18.4751 k = 0.0000 0.4848-0.0000 ( 3450 PWs) bands (ev): 4.3567 4.3569 4.5500 4.5502 7.1182 7.1349 7.1855 7.1996 7.8655 7.9041 8.0055 8.0337 8.7603 8.7815 8.9165 8.9328 8.9623 8.9689 8.9813 8.9951 9.1811 9.1974 9.4133 9.4273 9.7238 9.7829 9.9907 10.0680 10.4360 10.4811 10.4946 10.5247 10.6933 10.7161 10.9520 11.0172 11.3361 11.3413 11.3836 11.4358 11.7692 11.8112 11.8300 11.8434 12.5496 12.6203 12.6750 12.7672 13.1223 13.1986 13.4246 13.5388 15.2622 15.3457 15.3942 15.5097 16.6253 16.6320 16.9003 16.9229 18.4186 18.4615 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.4524 4.4524 4.4527 4.4527 7.1263 7.1263 7.1924 7.1924 7.8842 7.8842 8.0192 8.0192 8.7711 8.7711 8.9255 8.9255 8.9654 8.9654 8.9874 8.9874 9.1893 9.1893 9.4212 9.4212 9.7554 9.7554 10.0320 10.0320 10.4654 10.4654 10.5008 10.5008 10.7032 10.7032 10.9850 10.9850 11.3626 11.3626 11.3861 11.3861 11.8050 11.8050 11.8201 11.8201 12.5875 12.5875 12.7214 12.7214 13.1575 13.1575 13.4801 13.4801 15.3006 15.3006 15.4496 15.4496 16.6269 16.6269 16.9102 16.9102 18.4431 18.4431 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.4524 4.4524 4.4527 4.4527 7.1263 7.1263 7.1924 7.1924 7.8842 7.8842 8.0192 8.0192 8.7711 8.7711 8.9255 8.9255 8.9654 8.9654 8.9874 8.9874 9.1893 9.1893 9.4212 9.4212 9.7554 9.7554 10.0320 10.0320 10.4654 10.4654 10.5008 10.5008 10.7032 10.7032 10.9850 10.9850 11.3626 11.3626 11.3861 11.3861 11.8050 11.8050 11.8201 11.8201 12.5875 12.5875 12.7214 12.7214 13.1575 13.1575 13.4801 13.4801 15.3006 15.3006 15.4496 15.4496 16.6269 16.6269 16.9102 16.9102 18.4431 18.4431 k = 0.0152 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.4538 4.4538 4.4542 4.4542 7.1260 7.1260 7.1920 7.1920 7.8835 7.8835 8.0186 8.0186 8.7691 8.7691 8.9207 8.9207 8.9623 8.9623 8.9944 8.9944 9.1902 9.1902 9.4215 9.4215 9.7566 9.7566 10.0331 10.0331 10.4518 10.4518 10.5115 10.5115 10.7023 10.7023 10.9849 10.9849 11.3606 11.3606 11.3861 11.3861 11.7954 11.7954 11.8275 11.8275 12.5889 12.5889 12.7220 12.7220 13.1584 13.1584 13.4782 13.4782 15.3026 15.3026 15.4520 15.4520 16.6308 16.6308 16.9135 16.9135 18.4338 18.4338 k = 0.0303 0.5000-0.0000 ( 3458 PWs) bands (ev): 4.4580 4.4580 4.4587 4.4587 7.1249 7.1249 7.1908 7.1908 7.8815 7.8815 8.0167 8.0167 8.7632 8.7632 8.9074 8.9074 8.9598 8.9598 9.0072 9.0072 9.1929 9.1929 9.4227 9.4227 9.7602 9.7602 10.0362 10.0362 10.4263 10.4263 10.5283 10.5283 10.6996 10.6996 10.9845 10.9845 11.3546 11.3546 11.3857 11.3857 11.7791 11.7791 11.8372 11.8372 12.5930 12.5930 12.7234 12.7234 13.1614 13.1614 13.4728 13.4728 15.3085 15.3085 15.4589 15.4589 16.6425 16.6425 16.9235 16.9235 18.4067 18.4067 k = 0.0455 0.5000-0.0000 ( 3452 PWs) bands (ev): 4.4651 4.4651 4.4661 4.4661 7.1229 7.1229 7.1886 7.1886 7.8782 7.8782 8.0137 8.0137 8.7537 8.7537 8.8889 8.8889 8.9604 8.9604 9.0203 9.0203 9.1973 9.1973 9.4246 9.4246 9.7661 9.7661 10.0412 10.0412 10.3968 10.3968 10.5433 10.5433 10.6959 10.6959 10.9837 10.9837 11.3452 11.3452 11.3849 11.3849 11.7606 11.7606 11.8449 11.8449 12.5994 12.5994 12.7248 12.7248 13.1674 13.1674 13.4642 13.4642 15.3178 15.3178 15.4699 15.4699 16.6620 16.6620 16.9400 16.9400 18.3645 18.3645 k = 0.0606 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.4750 4.4750 4.4764 4.4764 7.1201 7.1201 7.1855 7.1855 7.8737 7.8737 8.0095 8.0095 8.7408 8.7408 8.8676 8.8676 8.9626 8.9626 9.0325 9.0325 9.2033 9.2033 9.4270 9.4270 9.7742 9.7742 10.0479 10.0479 10.3648 10.3648 10.5547 10.5547 10.6921 10.6921 10.9823 10.9823 11.3327 11.3327 11.3836 11.3836 11.7407 11.7407 11.8502 11.8502 12.6066 12.6066 12.7254 12.7254 13.1777 13.1777 13.4534 13.4534 15.3302 15.3302 15.4841 15.4841 16.6893 16.6893 16.9631 16.9631 18.3105 18.3105 k = 0.0758 0.5000-0.0000 ( 3454 PWs) bands (ev): 4.4878 4.4878 4.4896 4.4896 7.1161 7.1161 7.1810 7.1810 7.8683 7.8683 8.0044 8.0044 8.7250 8.7250 8.8451 8.8451 8.9657 8.9657 9.0433 9.0433 9.2105 9.2105 9.4299 9.4299 9.7844 9.7844 10.0559 10.0559 10.3312 10.3312 10.5614 10.5614 10.6896 10.6896 10.9801 10.9801 11.3176 11.3176 11.3816 11.3816 11.7200 11.7200 11.8529 11.8529 12.6125 12.6125 12.7252 12.7252 13.1934 13.1934 13.4415 13.4415 15.3448 15.3448 15.5006 15.5006 16.7244 16.7244 16.9925 16.9925 18.2479 18.2479 k = 0.0909 0.5000-0.0000 ( 3458 PWs) bands (ev): 4.5035 4.5035 4.5057 4.5057 7.1109 7.1109 7.1752 7.1752 7.8620 7.8620 7.9985 7.9985 8.7067 8.7067 8.8219 8.8219 8.9690 8.9690 9.0528 9.0528 9.2186 9.2186 9.4330 9.4330 9.7963 9.7963 10.0645 10.0645 10.2971 10.2971 10.5626 10.5626 10.6899 10.6899 10.9766 10.9766 11.3004 11.3004 11.3789 11.3789 11.6992 11.6992 11.8532 11.8532 12.6139 12.6139 12.7252 12.7252 13.2151 13.2151 13.4299 13.4299 15.3609 15.3609 15.5185 15.5185 16.7669 16.7669 17.0279 17.0279 18.1798 18.1798 k = 0.1061 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.5220 4.5220 4.5246 4.5246 7.1041 7.1041 7.1675 7.1675 7.8553 7.8553 7.9921 7.9921 8.6863 8.6863 8.7984 8.7984 8.9722 8.9722 9.0611 9.0611 9.2273 9.2273 9.4362 9.4362 9.8097 9.8097 10.0728 10.0728 10.2638 10.2638 10.5584 10.5584 10.6936 10.6936 10.9715 10.9715 11.2817 11.2817 11.3752 11.3752 11.6788 11.6788 11.8512 11.8512 12.6074 12.6074 12.7271 12.7271 13.2425 13.2425 13.4208 13.4208 15.3774 15.3774 15.5370 15.5370 16.8164 16.8164 17.0687 17.0687 18.1089 18.1089 k = 0.1212 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.5433 4.5433 4.5463 4.5463 7.0954 7.0954 7.1578 7.1578 7.8483 7.8483 7.9853 7.9853 8.6642 8.6642 8.7749 8.7749 8.9753 8.9753 9.0683 9.0683 9.2363 9.2363 9.4393 9.4393 9.8242 9.8242 10.0787 10.0787 10.2336 10.2336 10.5499 10.5499 10.7005 10.7005 10.9644 10.9644 11.2618 11.2618 11.3704 11.3704 11.6595 11.6595 11.8471 11.8471 12.5915 12.5915 12.7308 12.7308 13.2748 13.2748 13.4164 13.4164 15.3936 15.3936 15.5552 15.5552 16.8720 16.8720 17.1139 17.1139 18.0372 18.0372 k = 0.1364 0.5000-0.0000 ( 3454 PWs) bands (ev): 4.5674 4.5674 4.5708 4.5708 7.0845 7.0845 7.1457 7.1457 7.8415 7.8415 7.9784 7.9784 8.6409 8.6409 8.7513 8.7513 8.9780 8.9780 9.0745 9.0745 9.2452 9.2452 9.4421 9.4421 9.8396 9.8396 10.0791 10.0791 10.2104 10.2104 10.5389 10.5389 10.7096 10.7096 10.9549 10.9549 11.2413 11.2413 11.3641 11.3641 11.6421 11.6421 11.8412 11.8412 12.5675 12.5675 12.7341 12.7341 13.3097 13.3097 13.4200 13.4200 15.4086 15.4086 15.5725 15.5725 16.9326 16.9326 17.1621 17.1621 17.9667 17.9667 k = 0.1515 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.5943 4.5943 4.5980 4.5980 7.0710 7.0710 7.1308 7.1308 7.8351 7.8351 7.9719 7.9719 8.6169 8.6169 8.7279 8.7279 8.9802 8.9802 9.0795 9.0795 9.2537 9.2537 9.4445 9.4445 9.8553 9.8553 10.0701 10.0701 10.1983 10.1983 10.5271 10.5271 10.7200 10.7200 10.9427 10.9427 11.2205 11.2205 11.3562 11.3562 11.6272 11.6272 11.8337 11.8337 12.5372 12.5372 12.7341 12.7341 13.3443 13.3443 13.4353 13.4353 15.4217 15.4217 15.5886 15.5886 16.9963 16.9963 17.2108 17.2108 17.8991 17.8991 k = 0.1667 0.5000-0.0000 ( 3438 PWs) bands (ev): 4.6238 4.6238 4.6280 4.6280 7.0546 7.0546 7.1127 7.1127 7.8295 7.8295 7.9660 7.9660 8.5925 8.5925 8.7047 8.7047 8.9819 8.9819 9.0835 9.0835 9.2614 9.2614 9.4465 9.4465 9.8711 9.8711 10.0516 10.0516 10.1980 10.1980 10.5157 10.5157 10.7310 10.7310 10.9277 10.9277 11.1997 11.1997 11.3467 11.3467 11.6151 11.6151 11.8249 11.8249 12.5024 12.5024 12.7289 12.7289 13.3763 13.3763 13.4648 13.4648 15.4324 15.4324 15.6030 15.6030 17.0605 17.0605 17.2567 17.2567 17.8364 17.8364 k = 0.1818 0.5000-0.0000 ( 3430 PWs) bands (ev): 4.6561 4.6561 4.6607 4.6607 7.0350 7.0350 7.0911 7.0911 7.8250 7.8250 7.9609 7.9609 8.5680 8.5680 8.6818 8.6818 8.9830 8.9830 9.0861 9.0861 9.2681 9.2681 9.4482 9.4482 9.8864 9.8864 10.0278 10.0278 10.2059 10.2059 10.5059 10.5059 10.7420 10.7420 10.9100 10.9100 11.1788 11.1788 11.3359 11.3359 11.6062 11.6062 11.8149 11.8149 12.4646 12.4646 12.7174 12.7174 13.4076 13.4076 13.5064 13.5064 15.4405 15.4405 15.6155 15.6155 17.1216 17.1216 17.2952 17.2952 17.7809 17.7809 k = 0.1970 0.5000-0.0000 ( 3430 PWs) bands (ev): 4.6909 4.6909 4.6961 4.6961 7.0117 7.0117 7.0658 7.0658 7.8219 7.8219 7.9571 7.9571 8.5437 8.5437 8.6592 8.6592 8.9832 8.9832 9.0874 9.0874 9.2735 9.2735 9.4498 9.4498 9.9007 9.9007 10.0029 10.0029 10.2184 10.2184 10.4981 10.4981 10.7523 10.7523 10.8902 10.8902 11.1580 11.1580 11.3243 11.3243 11.6002 11.6002 11.8040 11.8040 12.4248 12.4248 12.6995 12.6995 13.4416 13.4416 13.5555 13.5555 15.4457 15.4457 15.6260 15.6260 17.1747 17.1747 17.3210 17.3210 17.7353 17.7353 k = 0.2121 0.5000-0.0000 ( 3426 PWs) bands (ev): 4.7284 4.7284 4.7340 4.7340 6.9846 6.9846 7.0365 7.0365 7.8205 7.8205 7.9548 7.9548 8.5199 8.5199 8.6369 8.6369 8.9824 8.9824 9.0873 9.0873 9.2775 9.2775 9.4516 9.4516 9.9131 9.9131 9.9802 9.9802 10.2334 10.2334 10.4926 10.4926 10.7612 10.7612 10.8693 10.8693 11.1372 11.1372 11.3122 11.3122 11.5971 11.5971 11.7925 11.7925 12.3838 12.3838 12.6757 12.6757 13.4799 13.4799 13.6089 13.6089 15.4481 15.4481 15.6343 15.6343 17.2138 17.2138 17.3300 17.3300 17.7025 17.7025 k = 0.2273 0.5000-0.0000 ( 3428 PWs) bands (ev): 4.7683 4.7683 4.7745 4.7745 6.9534 6.9534 7.0031 7.0031 7.8209 7.8209 7.9542 7.9542 8.4965 8.4965 8.6150 8.6150 8.9804 8.9804 9.0855 9.0855 9.2801 9.2801 9.4538 9.4538 9.9208 9.9208 9.9634 9.9634 10.2497 10.2497 10.4892 10.4892 10.7673 10.7673 10.8489 10.8489 11.1166 11.1166 11.3002 11.3002 11.5963 11.5963 11.7805 11.7805 12.3421 12.3421 12.6470 12.6470 13.5228 13.5228 13.6649 13.6649 15.4477 15.4477 15.6403 15.6403 17.2337 17.2337 17.3216 17.3216 17.6835 17.6835 k = 0.2424 0.5000-0.0000 ( 3428 PWs) bands (ev): 4.8108 4.8108 4.8175 4.8175 6.9181 6.9181 6.9656 6.9656 7.8232 7.8232 7.9553 7.9553 8.4739 8.4739 8.5935 8.5935 8.9770 8.9770 9.0820 9.0820 9.2814 9.2814 9.4569 9.4569 9.9180 9.9180 9.9591 9.9591 10.2668 10.2668 10.4873 10.4873 10.7682 10.7682 10.8323 10.8323 11.0965 11.0965 11.2887 11.2887 11.5976 11.5976 11.7683 11.7683 12.3004 12.3004 12.6144 12.6144 13.5696 13.5696 13.7224 13.7224 15.4447 15.4447 15.6440 15.6440 17.2331 17.2331 17.2996 17.2996 17.6753 17.6753 k = 0.2576 0.5000-0.0000 ( 3440 PWs) bands (ev): 4.8556 4.8556 4.8628 4.8628 6.8787 6.8787 6.9240 6.9240 7.8275 7.8275 7.9584 7.9584 8.4519 8.4519 8.5724 8.5724 8.9720 8.9720 9.0768 9.0768 9.2819 9.2819 9.4609 9.4609 9.9072 9.9072 9.9651 9.9651 10.2841 10.2841 10.4857 10.4857 10.7615 10.7615 10.8229 10.8229 11.0774 11.0774 11.2776 11.2776 11.6003 11.6003 11.7561 11.7561 12.2591 12.2591 12.5788 12.5788 13.6195 13.6195 13.7806 13.7806 15.4394 15.4394 15.6452 15.6452 17.2154 17.2154 17.2690 17.2690 17.6705 17.6705 k = 0.2727 0.5000-0.0000 ( 3440 PWs) bands (ev): 4.9027 4.9027 4.9106 4.9106 6.8352 6.8352 6.8784 6.8784 7.8338 7.8338 7.9632 7.9632 8.4307 8.4307 8.5517 8.5517 8.9655 8.9655 9.0700 9.0700 9.2821 9.2821 9.4659 9.4659 9.8959 9.8959 9.9742 9.9742 10.3010 10.3010 10.4831 10.4831 10.7491 10.7491 10.8197 10.8197 11.0602 11.0602 11.2672 11.2672 11.6042 11.6042 11.7442 11.7442 12.2186 12.2186 12.5410 12.5410 13.6717 13.6717 13.8390 13.8390 15.4320 15.4320 15.6439 15.6439 17.1865 17.1865 17.2339 17.2339 17.6621 17.6621 k = 0.2879 0.5000-0.0000 ( 3444 PWs) bands (ev): 4.9521 4.9521 4.9606 4.9606 6.7879 6.7879 6.8291 6.8291 7.8419 7.8419 7.9699 7.9699 8.4102 8.4102 8.5312 8.5312 8.9574 8.9574 9.0614 9.0614 9.2827 9.2827 9.4717 9.4717 9.8866 9.8866 9.9838 9.9838 10.3169 10.3169 10.4779 10.4779 10.7363 10.7363 10.8190 10.8190 11.0457 11.0457 11.2571 11.2571 11.6088 11.6088 11.7329 11.7329 12.1792 12.1792 12.5016 12.5016 13.7255 13.7255 13.8970 13.8970 15.4229 15.4229 15.6402 15.6402 17.1518 17.1518 17.1970 17.1970 17.6458 17.6458 k = 0.3030 0.5000-0.0000 ( 3448 PWs) bands (ev): 5.0036 5.0036 5.0127 5.0127 6.7370 6.7370 6.7763 6.7763 7.8519 7.8519 7.9781 7.9781 8.3905 8.3905 8.5110 8.5110 8.9481 8.9481 9.0513 9.0513 9.2843 9.2843 9.4782 9.4782 9.8798 9.8798 9.9933 9.9933 10.3311 10.3311 10.4689 10.4689 10.7269 10.7269 10.8182 10.8182 11.0346 11.0346 11.2474 11.2474 11.6137 11.6137 11.7223 11.7223 12.1414 12.1414 12.4613 12.4613 13.7803 13.7803 13.9543 13.9543 15.4123 15.4123 15.6338 15.6338 17.1150 17.1150 17.1601 17.1601 17.6212 17.6212 k = 0.3182 0.5000-0.0000 ( 3442 PWs) bands (ev): 5.0572 5.0572 5.0669 5.0669 6.6828 6.6828 6.7203 6.7203 7.8634 7.8634 7.9878 7.9878 8.3714 8.3714 8.4909 8.4909 8.9380 8.9380 9.0397 9.0397 9.2874 9.2874 9.4849 9.4849 9.8756 9.8756 10.0027 10.0027 10.3426 10.3426 10.4555 10.4555 10.7225 10.7225 10.8170 10.8170 11.0273 11.0273 11.2379 11.2379 11.6184 11.6184 11.7128 11.7128 12.1055 12.1055 12.4204 12.4204 13.8354 13.8354 14.0102 14.0102 15.4007 15.4007 15.6250 15.6250 17.0784 17.0784 17.1242 17.1242 17.5902 17.5902 k = 0.3333 0.5000-0.0000 ( 3442 PWs) bands (ev): 5.1126 5.1126 5.1230 5.1230 6.6256 6.6256 6.6615 6.6615 7.8765 7.8765 7.9987 7.9987 8.3530 8.3530 8.4709 8.4709 8.9274 8.9274 9.0269 9.0269 9.2923 9.2923 9.4914 9.4914 9.8739 9.8739 10.0117 10.0117 10.3506 10.3506 10.4381 10.4381 10.7232 10.7232 10.8156 10.8156 11.0236 11.0236 11.2283 11.2283 11.6226 11.6226 11.7048 11.7048 12.0720 12.0720 12.3795 12.3795 13.8904 13.8904 14.0642 14.0642 15.3886 15.3886 15.6136 15.6136 17.0434 17.0434 17.0898 17.0898 17.5553 17.5553 k = 0.3485 0.5000-0.0000 ( 3442 PWs) bands (ev): 5.1698 5.1698 5.1810 5.1810 6.5659 6.5659 6.6001 6.6001 7.8909 7.8909 8.0104 8.0104 8.3353 8.3353 8.4509 8.4509 8.9170 8.9170 9.0131 9.0131 9.2991 9.2991 9.4973 9.4973 9.8745 9.8745 10.0204 10.0204 10.3541 10.3541 10.4180 10.4180 10.7283 10.7283 10.8150 10.8150 11.0231 11.0231 11.2186 11.2186 11.6258 11.6258 11.6984 11.6984 12.0413 12.0413 12.3387 12.3387 13.9446 13.9446 14.1158 14.1158 15.3763 15.3763 15.5997 15.5997 17.0107 17.0107 17.0576 17.0576 17.5189 17.5189 k = 0.3636 0.5000-0.0000 ( 3448 PWs) bands (ev): 5.2286 5.2286 5.2405 5.2405 6.5041 6.5041 6.5367 6.5367 7.9064 7.9064 8.0228 8.0228 8.3183 8.3183 8.4309 8.4309 8.9072 8.9072 8.9987 8.9987 9.3080 9.3080 9.5020 9.5020 9.8775 9.8775 10.0286 10.0286 10.3523 10.3523 10.3973 10.3973 10.7368 10.7368 10.8157 10.8157 11.0252 11.0252 11.2086 11.2086 11.6277 11.6277 11.6936 11.6936 12.0141 12.0141 12.2985 12.2985 13.9978 13.9978 14.1643 14.1643 15.3645 15.3645 15.5834 15.5834 16.9810 16.9810 17.0276 17.0276 17.4830 17.4830 k = 0.3788 0.5000-0.0000 ( 3452 PWs) bands (ev): 5.2888 5.2888 5.3014 5.3014 6.4405 6.4405 6.4715 6.4715 7.9229 7.9229 8.0354 8.0354 8.3022 8.3022 8.4109 8.4109 8.8984 8.8984 8.9840 8.9840 9.3186 9.3186 9.5051 9.5051 9.8829 9.8829 10.0359 10.0359 10.3439 10.3439 10.3783 10.3783 10.7475 10.7475 10.8182 10.8182 11.0294 11.0294 11.1983 11.1983 11.6284 11.6284 11.6901 11.6901 11.9911 11.9911 12.2591 12.2591 14.0493 14.0493 14.2088 14.2088 15.3538 15.3538 15.5648 15.5648 16.9545 16.9545 17.0000 17.0000 17.4492 17.4492 k = 0.3939 0.5000-0.0000 ( 3458 PWs) bands (ev): 5.3501 5.3501 5.3634 5.3634 6.3758 6.3758 6.4052 6.4052 7.9402 7.9402 8.0478 8.0478 8.2872 8.2872 8.3909 8.3909 8.8910 8.8910 8.9693 8.9693 9.3310 9.3310 9.5059 9.5059 9.8907 9.8907 10.0419 10.0419 10.3292 10.3292 10.3626 10.3626 10.7598 10.7598 10.8222 10.8222 11.0352 11.0352 11.1877 11.1877 11.6282 11.6282 11.6871 11.6871 11.9729 11.9729 12.2208 12.2208 14.0988 14.0988 14.2488 14.2488 15.3449 15.3449 15.5441 15.5441 16.9316 16.9316 16.9749 16.9749 17.4188 17.4188 k = 0.4091 0.5000-0.0000 ( 3450 PWs) bands (ev): 5.4122 5.4122 5.4260 5.4260 6.3105 6.3105 6.3383 6.3383 7.9580 7.9580 8.0592 8.0592 8.2737 8.2737 8.3710 8.3710 8.8852 8.8852 8.9550 8.9550 9.3448 9.3448 9.5043 9.5043 9.9009 9.9009 10.0460 10.0460 10.3117 10.3117 10.3486 10.3486 10.7729 10.7729 10.8271 10.8271 11.0423 11.0423 11.1766 11.1766 11.6279 11.6279 11.6838 11.6838 11.9604 11.9604 12.1838 12.1838 14.1456 14.1456 14.2832 14.2832 15.3386 15.3386 15.5216 15.5216 16.9123 16.9123 16.9523 16.9523 17.3925 17.3925 k = 0.4242 0.5000-0.0000 ( 3452 PWs) bands (ev): 5.4744 5.4744 5.4887 5.4887 6.2455 6.2455 6.2714 6.2714 7.9761 7.9761 8.0688 8.0688 8.2624 8.2624 8.3514 8.3514 8.8813 8.8813 8.9413 8.9413 9.3599 9.3599 9.4999 9.4999 9.9134 9.9134 10.0474 10.0474 10.2951 10.2951 10.3348 10.3348 10.7861 10.7861 10.8322 10.8322 11.0505 11.0505 11.1652 11.1652 11.6279 11.6279 11.6793 11.6793 11.9538 11.9538 12.1484 12.1484 14.1893 14.1893 14.3113 14.3113 15.3354 15.3354 15.4979 15.4979 16.8968 16.8968 16.9323 16.9323 17.3712 17.3712 k = 0.4394 0.5000-0.0000 ( 3460 PWs) bands (ev): 5.5360 5.5360 5.5505 5.5505 6.1818 6.1818 6.2056 6.2056 7.9943 7.9943 8.0756 8.0756 8.2543 8.2543 8.3322 8.3322 8.8793 8.8793 8.9286 8.9286 9.3759 9.3759 9.4928 9.4928 9.9281 9.9281 10.0453 10.0453 10.2816 10.2816 10.3209 10.3209 10.7990 10.7990 10.8365 10.8365 11.0597 11.0597 11.1534 11.1534 11.6287 11.6287 11.6736 11.6736 11.9534 11.9534 12.1149 12.1149 14.2292 14.2292 14.3322 14.3322 15.3361 15.3361 15.4733 15.4733 16.8850 16.8850 16.9149 16.9149 17.3551 17.3551 k = 0.4545 0.5000-0.0000 ( 3452 PWs) bands (ev): 5.5953 5.5953 5.6095 5.6095 6.1215 6.1215 6.1426 6.1426 8.0121 8.0121 8.0784 8.0784 8.2504 8.2504 8.3138 8.3138 8.8793 8.8793 8.9170 8.9170 9.3925 9.3925 9.4832 9.4832 9.9446 9.9446 10.0392 10.0392 10.2727 10.2727 10.3073 10.3073 10.8108 10.8108 10.8395 10.8395 11.0697 11.0697 11.1412 11.1412 11.6307 11.6307 11.6667 11.6667 11.9589 11.9589 12.0834 12.0834 14.2647 14.2647 14.3455 14.3455 15.3410 15.3410 15.4485 15.4485 16.8769 16.8769 16.9003 16.9003 17.3447 17.3447 k = 0.4697 0.5000-0.0000 ( 3448 PWs) bands (ev): 5.6494 5.6494 5.6618 5.6618 6.0685 6.0685 6.0856 6.0856 8.0292 8.0292 8.0764 8.0764 8.2514 8.2514 8.2965 8.2965 8.8811 8.8811 8.9066 8.9066 9.4093 9.4093 9.4713 9.4713 9.9623 9.9623 10.0288 10.0288 10.2689 10.2689 10.2947 10.2947 10.8211 10.8211 10.8405 10.8405 11.0806 11.0806 11.1289 11.1289 11.6340 11.6340 11.6592 11.6592 11.9697 11.9697 12.0544 12.0544 14.2950 14.2950 14.3507 14.3507 15.3503 15.3503 15.4243 15.4243 16.8724 16.8724 16.8885 16.8885 17.3399 17.3399 k = 0.4848 0.5000-0.0000 ( 3468 PWs) bands (ev): 5.6919 5.6919 5.6999 5.6999 6.0304 6.0304 6.0407 6.0407 8.0451 8.0451 8.0696 8.0696 8.2574 8.2574 8.2809 8.2809 8.8849 8.8849 8.8978 8.8978 9.4260 9.4260 9.4575 9.4575 9.9806 9.9806 10.0149 10.0149 10.2699 10.2699 10.2837 10.2837 10.8294 10.8294 10.8393 10.8393 11.0921 11.0921 11.1164 11.1164 11.6387 11.6387 11.6517 11.6517 11.9852 11.9852 12.0281 12.0281 14.3195 14.3195 14.3479 14.3479 15.3638 15.3638 15.4016 15.4016 16.8715 16.8715 16.8796 16.8796 17.3407 17.3407 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): 5.7117 5.7117 5.7117 5.7117 6.0193 6.0193 6.0193 6.0193 8.0588 8.0588 8.0588 8.0588 8.2675 8.2675 8.2675 8.2675 8.8905 8.8905 8.8905 8.8905 9.4423 9.4423 9.4423 9.4423 9.9985 9.9985 9.9985 9.9985 10.2752 10.2752 10.2752 10.2752 10.8355 10.8355 10.8355 10.8355 11.1041 11.1041 11.1041 11.1041 11.6447 11.6447 11.6447 11.6447 12.0049 12.0049 12.0049 12.0049 14.3373 14.3373 14.3373 14.3373 15.3811 15.3811 15.3811 15.3811 16.8739 16.8739 16.8739 16.8739 17.3472 17.3472 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): 5.7117 5.7117 5.7117 5.7117 6.0193 6.0193 6.0193 6.0193 8.0588 8.0588 8.0588 8.0588 8.2675 8.2675 8.2675 8.2675 8.8905 8.8905 8.8905 8.8905 9.4423 9.4423 9.4423 9.4423 9.9985 9.9985 9.9985 9.9985 10.2752 10.2752 10.2752 10.2752 10.8355 10.8355 10.8355 10.8355 11.1041 11.1041 11.1041 11.1041 11.6447 11.6447 11.6447 11.6447 12.0049 12.0049 12.0049 12.0049 14.3373 14.3373 14.3373 14.3373 15.3811 15.3811 15.3811 15.3811 16.8739 16.8739 16.8739 16.8739 17.3472 17.3472 k = 0.4891 0.4891-0.0000 ( 3468 PWs) bands (ev): 5.6768 5.6800 5.7133 5.7136 6.0194 6.0198 6.0499 6.0538 8.0319 8.0414 8.0740 8.0821 8.2415 8.2543 8.2849 8.2967 8.8816 8.8893 8.8934 8.8998 9.4212 9.4373 9.4461 9.4624 9.9672 9.9836 10.0104 10.0281 10.2612 10.2701 10.2817 10.2933 10.8262 10.8322 10.8374 10.8447 11.0858 11.1028 11.1066 11.1242 11.6338 11.6422 11.6477 11.6572 11.9853 11.9943 12.0174 12.0285 14.3027 14.3199 14.3446 14.3571 15.3541 15.3683 15.4031 15.4185 16.8672 16.8740 16.8784 16.8831 17.3366 17.3493 k = 0.4783 0.4783-0.0000 ( 3452 PWs) bands (ev): 5.6004 5.6049 5.7175 5.7180 6.0212 6.0219 6.1215 6.1275 8.0028 8.0221 8.0864 8.1001 8.2193 8.2452 8.3063 8.3281 8.8730 8.8897 8.8982 8.9098 9.3997 9.4312 9.4487 9.4814 9.9357 9.9669 10.0180 10.0545 10.2511 10.2676 10.2888 10.3154 10.8159 10.8274 10.8382 10.8540 11.0698 11.1025 11.1102 11.1453 11.6246 11.6402 11.6515 11.6708 11.9706 11.9857 12.0318 12.0557 14.2549 14.2923 14.3416 14.3621 15.3381 15.3642 15.4340 15.4643 16.8613 16.8778 16.8876 16.8973 17.3278 17.3592 k = 0.4674 0.4674-0.0000 ( 3454 PWs) bands (ev): 5.5079 5.5126 5.7246 5.7253 6.0244 6.0255 6.2081 6.2153 7.9725 8.0010 8.0953 8.1121 8.2020 8.2407 8.3314 8.3610 8.8646 8.8914 8.9047 8.9206 9.3780 9.4243 9.4499 9.4990 9.9053 9.9489 10.0203 10.0763 10.2439 10.2692 10.2967 10.3413 10.8038 10.8214 10.8388 10.8635 11.0565 11.1033 11.1151 11.1668 11.6169 11.6385 11.6563 11.6853 11.9613 11.9792 12.0481 12.0863 14.1959 14.2545 14.3286 14.3541 15.3326 15.3685 15.4732 15.5164 16.8556 16.8829 16.9028 16.9179 17.3208 17.3749 k = 0.4565 0.4565-0.0000 ( 3462 PWs) bands (ev): 5.4087 5.4134 5.7345 5.7354 6.0290 6.0304 6.2995 6.3075 7.9421 7.9787 8.0990 8.1188 8.1897 8.2412 8.3596 8.3949 8.8564 8.8942 8.9129 8.9327 9.3566 9.4163 9.4498 9.5151 9.8769 9.9304 10.0164 10.0927 10.2389 10.2744 10.3063 10.3706 10.7894 10.8148 10.8400 10.8727 11.0461 11.1051 11.1216 11.1881 11.6101 11.6369 11.6627 11.7004 11.9581 11.9753 12.0664 12.1199 14.1281 14.2066 14.3063 14.3361 15.3362 15.3801 15.5195 15.5726 16.8499 16.8880 16.9249 16.9452 17.3158 17.3930 k = 0.4457 0.4457-0.0000 ( 3458 PWs) bands (ev): 5.3066 5.3111 5.7472 5.7484 6.0349 6.0366 6.3917 6.4006 7.9121 7.9556 8.0965 8.1222 8.1817 8.2465 8.3899 8.4293 8.8484 8.8975 8.9224 8.9463 9.3358 9.4074 9.4484 9.5296 9.8511 9.9116 10.0068 10.1037 10.2358 10.2807 10.3194 10.4024 10.7730 10.8078 10.8422 10.8813 11.0389 11.1079 11.1298 11.2086 11.6035 11.6348 11.6715 11.7161 11.9604 11.9747 12.0870 12.1567 14.0536 14.1490 14.2764 14.3110 15.3468 15.3979 15.5715 15.6311 16.8442 16.8931 16.9536 16.9787 17.3132 17.4121 k = 0.4348 0.4348-0.0000 ( 3458 PWs) bands (ev): 5.2032 5.2075 5.7626 5.7642 6.0421 6.0442 6.4829 6.4928 7.8832 7.9324 8.0893 8.1231 8.1768 8.2555 8.4213 8.4638 8.8406 8.9010 8.9332 8.9614 9.3161 9.3975 9.4460 9.5423 9.8281 9.8930 9.9924 10.1095 10.2343 10.2858 10.3368 10.4355 10.7553 10.8005 10.8453 10.8887 11.0354 11.1116 11.1400 11.2280 11.5964 11.6317 11.6838 11.7331 11.9649 11.9806 12.1103 12.1967 13.9741 14.0827 14.2410 14.2806 15.3628 15.4207 15.6278 15.6903 16.8387 16.8982 16.9883 17.0177 17.3136 17.4325 k = 0.4239 0.4239-0.0000 ( 3446 PWs) bands (ev): 5.0993 5.1033 5.7808 5.7827 6.0506 6.0532 6.5722 6.5831 7.8557 7.9096 8.0799 8.1212 8.1745 8.2671 8.4527 8.4981 8.8331 8.9043 8.9448 8.9782 9.2978 9.3866 9.4430 9.5531 9.8079 9.8751 9.9745 10.1105 10.2335 10.2899 10.3575 10.4685 10.7373 10.7930 10.8487 10.8946 11.0362 11.1164 11.1522 11.2461 11.5881 11.6277 11.6999 11.7519 11.9687 11.9950 12.1369 12.2400 13.8909 14.0088 14.2024 14.2463 15.3826 15.4475 15.6870 15.7491 16.8333 16.9033 17.0280 17.0612 17.3182 17.4549 k = 0.4130 0.4130-0.0000 ( 3446 PWs) bands (ev): 4.9954 4.9992 5.8017 5.8039 6.0605 6.0635 6.6588 6.6710 7.8299 7.8877 8.0696 8.1167 8.1742 8.2803 8.4833 8.5320 8.8260 8.9072 8.9568 8.9964 9.2811 9.3752 9.4399 9.5617 9.7903 9.8582 9.9542 10.1076 10.2316 10.2941 10.3799 10.4998 10.7204 10.7852 10.8514 10.8991 11.0418 11.1227 11.1662 11.2627 11.5785 11.6233 11.7197 11.7732 11.9732 12.0150 12.1677 12.2868 13.8050 13.9287 14.1621 14.2091 15.4052 15.4774 15.7477 15.8070 16.8279 16.9082 17.0711 17.1070 17.3292 17.4800 k = 0.4022 0.4022-0.0000 ( 3438 PWs) bands (ev): 4.8921 4.8957 5.8251 5.8277 6.0717 6.0751 6.7422 6.7558 7.8063 7.8673 8.0589 8.1101 8.1755 8.2946 8.5126 8.5651 8.8195 8.9096 8.9689 9.0154 9.2662 9.3638 9.4368 9.5676 9.7748 9.8431 9.9322 10.1020 10.2270 10.2992 10.4028 10.5277 10.7060 10.7767 10.8521 10.9029 11.0525 11.1311 11.1817 11.2783 11.5673 11.6198 11.7423 11.7973 11.9795 12.0380 12.2037 12.3374 13.7172 13.8438 14.1214 14.1699 15.4296 15.5096 15.8090 15.8635 16.8226 16.9127 17.1155 17.1521 17.3501 17.5085 k = 0.3913 0.3913-0.0000 ( 3436 PWs) bands (ev): 4.7896 4.7929 5.8511 5.8541 6.0841 6.0881 6.8219 6.8371 7.7852 7.8489 8.0481 8.1022 8.1781 8.3095 8.5400 8.5971 8.8139 8.9114 8.9804 9.0349 9.2531 9.3529 9.4342 9.5704 9.7608 9.8304 9.9094 10.0945 10.2189 10.3051 10.4250 10.5508 10.6959 10.7673 10.8499 10.9066 11.0680 11.1422 11.1981 11.2930 11.5551 11.6178 11.7663 11.8250 11.9879 12.0625 12.2458 12.3921 13.6283 13.7551 14.0810 14.1295 15.4554 15.5434 15.8702 15.9185 16.8171 16.9165 17.1566 17.1946 17.3845 17.5417 k = 0.3804 0.3804-0.0000 ( 3436 PWs) bands (ev): 4.6881 4.6912 5.8794 5.8829 6.0979 6.1024 6.8974 6.9143 7.7668 7.8329 8.0371 8.0934 8.1819 8.3250 8.5650 8.6277 8.8096 8.9127 8.9909 9.0541 9.2419 9.3434 9.4320 9.5695 9.7478 9.8206 9.8865 10.0858 10.2078 10.3107 10.4452 10.5680 10.6918 10.7571 10.8449 10.9100 11.0877 11.1566 11.2147 11.3077 11.5427 11.6181 11.7902 11.8565 11.9984 12.0873 12.2948 12.4512 13.5388 13.6636 14.0417 14.0887 15.4819 15.5784 15.9308 15.9721 16.8112 16.9193 17.1886 17.2363 17.4336 17.5806 k = 0.3696 0.3696-0.0000 ( 3435 PWs) bands (ev): 4.5879 4.5908 5.9101 5.9141 6.1130 6.1181 6.9682 6.9870 7.7518 7.8197 8.0261 8.0842 8.1868 8.3409 8.5872 8.6565 8.8071 8.9135 9.0000 9.0722 9.2324 9.3358 9.4303 9.5647 9.7354 9.8137 9.8645 10.0766 10.1941 10.3149 10.4617 10.5797 10.6936 10.7466 10.8381 10.9120 11.1107 11.1749 11.2305 11.3231 11.5312 11.6209 11.8128 11.8919 12.0112 12.1119 12.3510 12.5150 13.4490 13.5700 14.0039 14.0481 15.5085 15.6140 15.9906 16.0246 16.8048 16.9206 17.2102 17.2777 17.4938 17.6265 k = 0.3587 0.3587-0.0000 ( 3443 PWs) bands (ev): 4.4892 4.4919 5.9430 5.9475 6.1293 6.1351 7.0338 7.0546 7.7404 7.8098 8.0150 8.0748 8.1931 8.3570 8.6060 8.6831 8.8071 8.9141 9.0076 9.0885 9.2248 9.3302 9.4291 9.5561 9.7233 9.8075 9.8455 10.0670 10.1789 10.3167 10.4727 10.5887 10.6980 10.7379 10.8308 10.9116 11.1359 11.1973 11.2447 11.3399 11.5219 11.6263 11.8335 11.9307 12.0262 12.1363 12.4145 12.5837 13.3594 13.4750 13.9680 14.0082 15.5349 15.6498 16.0493 16.0763 16.7973 16.9200 17.2252 17.3162 17.5597 17.6800 k = 0.3478 0.3478-0.0000 ( 3437 PWs) bands (ev): 4.3922 4.3947 5.9779 5.9830 6.1470 6.1534 7.0937 7.1163 7.7334 7.8037 8.0039 8.0655 8.2007 8.3732 8.6207 8.7069 8.8105 8.9147 9.0136 9.1023 9.2193 9.3264 9.4280 9.5443 9.7117 9.7969 9.8344 10.0574 10.1628 10.3155 10.4764 10.5979 10.6977 10.7356 10.8250 10.9080 11.1622 11.2239 11.2571 11.3583 11.5164 11.6343 11.8521 11.9721 12.0430 12.1606 12.4853 12.6574 13.2703 13.3791 13.9343 13.9695 15.5603 15.6851 16.1072 16.1277 16.7883 16.9168 17.2368 17.3490 17.6250 17.7401 k = 0.3370 0.3370-0.0000 ( 3437 PWs) bands (ev): 4.2970 4.2992 6.0148 6.0205 6.1660 6.1732 7.1473 7.1715 7.7314 7.8019 7.9930 8.0567 8.2096 8.3897 8.6308 8.7275 8.8178 8.9156 9.0183 9.1128 9.2161 9.3238 9.4266 9.5309 9.7005 9.7799 9.8323 10.0477 10.1469 10.3111 10.4724 10.6086 10.6900 10.7391 10.8235 10.9006 11.1890 11.2539 11.2677 11.3781 11.5159 11.6447 11.8687 12.0153 12.0614 12.1853 12.5631 12.7363 13.1821 13.2828 13.9031 13.9323 15.5841 15.7194 16.1642 16.1791 16.7771 16.9103 17.2466 17.3742 17.6816 17.8014 k = 0.3261 0.3261-0.0000 ( 3437 PWs) bands (ev): 4.2037 4.2058 6.0533 6.0597 6.1863 6.1943 7.1941 7.2195 7.7350 7.8046 7.9824 8.0486 8.2198 8.4061 8.6364 8.7442 8.8293 8.9170 9.0219 9.1200 9.2154 9.3214 9.4237 9.5178 9.6899 9.7605 9.8343 10.0378 10.1320 10.3037 10.4610 10.6203 10.6793 10.7405 10.8297 10.8895 11.2158 11.2774 11.2862 11.3986 11.5217 11.6573 11.8836 12.0596 12.0808 12.2106 12.6475 12.8203 13.0950 13.1865 13.8746 13.8970 15.6055 15.7519 16.2207 16.2309 16.7629 16.8998 17.2551 17.3898 17.7162 17.8450 k = 0.3152 0.3152-0.0000 ( 3435 PWs) bands (ev): 4.1125 4.1144 6.0932 6.1004 6.2081 6.2169 7.2338 7.2597 7.7448 7.8122 7.9726 8.0417 8.2312 8.4226 8.6378 8.7570 8.8440 8.9195 9.0248 9.1242 9.2165 9.3181 9.4182 9.5074 9.6799 9.7410 9.8371 10.0275 10.1189 10.2936 10.4436 10.6316 10.6682 10.7359 10.8439 10.8753 11.2425 11.2876 11.3193 11.4193 11.5342 11.6719 11.8969 12.1005 12.1046 12.2372 12.7380 12.9091 13.0096 13.0907 13.8487 13.8637 15.6234 15.7816 16.2768 16.2837 16.7446 16.8842 17.2619 17.3933 17.7131 17.8358 k = 0.3043 0.3043-0.0000 ( 3439 PWs) bands (ev): 4.0236 4.0253 6.1342 6.1421 6.2315 6.2411 7.2661 7.2920 7.7608 7.8244 7.9638 8.0364 8.2437 8.4390 8.6359 8.7658 8.8609 8.9231 9.0272 9.1266 9.2185 9.3125 9.4095 9.5015 9.6706 9.7226 9.8389 10.0167 10.1083 10.2812 10.4213 10.6405 10.6578 10.7267 10.8524 10.8700 11.2683 11.2998 11.3519 11.4403 11.5529 11.6881 11.9092 12.1204 12.1490 12.2655 12.8334 12.9252 12.9959 13.0036 13.8255 13.8329 15.6368 15.8074 16.3328 16.3378 16.7210 16.8624 17.2649 17.3830 17.6770 17.7983 k = 0.2935 0.2935-0.0000 ( 3447 PWs) bands (ev): 3.9369 3.9385 6.1759 6.1844 6.2569 6.2672 7.2913 7.3168 7.7822 7.8408 7.9566 8.0333 8.2571 8.4551 8.6315 8.7707 8.8787 8.9280 9.0295 9.1283 9.2202 9.3034 9.3991 9.5002 9.6621 9.7055 9.8388 10.0051 10.1004 10.2667 10.3959 10.6407 10.6525 10.7152 10.8357 10.8920 11.2919 11.3160 11.3831 11.4622 11.5766 11.7058 11.9205 12.1395 12.1929 12.2960 12.8416 12.9032 12.9357 13.1006 13.8034 13.8063 15.6442 15.8279 16.3893 16.3933 16.6910 16.8332 17.2592 17.3637 17.6312 17.7682 k = 0.2826 0.2826-0.0000 ( 3453 PWs) bands (ev): 3.8527 3.8541 6.2175 6.2263 6.2851 6.2955 7.3098 7.3351 7.8077 7.8603 7.9519 8.0332 8.2710 8.4710 8.6255 8.7723 8.8964 8.9340 9.0319 9.1300 9.2208 9.2895 9.3895 9.5022 9.6547 9.6899 9.8364 9.9926 10.0951 10.2499 10.3693 10.6298 10.6520 10.7028 10.8182 10.9175 11.3125 11.3372 11.4119 11.4854 11.6035 11.7249 11.9312 12.1578 12.2354 12.3291 12.7619 12.8135 13.0393 13.2011 13.7783 13.7883 15.6445 15.8414 16.4466 16.4503 16.6538 16.7954 17.2379 17.3485 17.5901 17.7541 k = 0.2717 0.2717-0.0000 ( 3459 PWs) bands (ev): 3.7710 3.7722 6.2580 6.2664 6.3171 6.3270 7.3223 7.3479 7.8351 7.8811 7.9512 8.0371 8.2853 8.4864 8.6185 8.7710 8.9131 8.9407 9.0343 9.1324 9.2197 9.2710 9.3822 9.5061 9.6485 9.6758 9.8318 9.9789 10.0916 10.2306 10.3435 10.6157 10.6455 10.6901 10.8051 10.9432 11.3320 11.3612 11.4379 11.5099 11.6322 11.7451 11.9417 12.1750 12.2762 12.3649 12.6830 12.7289 13.1453 13.3033 13.7561 13.7738 15.6363 15.8461 16.5051 16.5083 16.6100 16.7487 17.2055 17.3436 17.5592 17.7538 k = 0.2609 0.2609-0.0000 ( 3451 PWs) bands (ev): 3.6919 3.6930 6.2958 6.3039 6.3536 6.3626 7.3298 7.3565 7.8613 7.9002 7.9577 8.0459 8.2997 8.5012 8.6110 8.7675 8.9278 8.9482 9.0369 9.1356 9.2167 9.2493 9.3776 9.5108 9.6437 9.6633 9.8252 9.9640 10.0885 10.2088 10.3205 10.5993 10.6293 10.6792 10.7989 10.9680 11.3518 11.3864 11.4612 11.5350 11.6610 11.7666 11.9521 12.1910 12.3152 12.4023 12.6051 12.6521 13.2511 13.4054 13.7384 13.7626 15.6186 15.8404 16.5477 16.5656 16.5784 16.6952 17.1750 17.3448 17.5409 17.7625 k = 0.2500 0.2500-0.0000 ( 3455 PWs) bands (ev): 3.6155 3.6165 6.3300 6.3394 6.3939 6.4031 7.3333 7.3616 7.8830 7.9151 7.9749 8.0606 8.3139 8.5152 8.6036 8.7624 8.9394 8.9567 9.0392 9.1393 9.2101 9.2278 9.3754 9.5153 9.6405 9.6521 9.8168 9.9478 10.0839 10.1861 10.3015 10.5800 10.6041 10.6718 10.7989 10.9910 11.3713 11.4122 11.4818 11.5595 11.6888 11.7895 11.9628 12.2057 12.3523 12.4361 12.5327 12.5860 13.3528 13.5035 13.7282 13.7557 15.5909 15.8228 16.4999 16.6045 16.6306 16.6606 17.1546 17.3499 17.5352 17.7759 k = 0.2391 0.2391-0.0000 ( 3451 PWs) bands (ev): 3.5419 3.5428 6.3619 6.3735 6.4366 6.4474 7.3337 7.3641 7.8982 7.9272 8.0016 8.0810 8.3276 8.5280 8.5972 8.7566 8.9475 8.9661 9.0409 9.1432 9.1927 9.2161 9.3750 9.5191 9.6386 9.6425 9.8065 9.9303 10.0744 10.1660 10.2865 10.5538 10.5780 10.6676 10.8028 11.0116 11.3892 11.4390 11.4995 11.5821 11.7147 11.8134 11.9740 12.2192 12.3856 12.4283 12.4976 12.5407 13.4432 13.5899 13.7315 13.7582 15.5531 15.7925 16.4442 16.5562 16.6942 16.7114 17.1476 17.3593 17.5400 17.7898 k = 0.2283 0.2283-0.0000 ( 3459 PWs) bands (ev): 3.4711 3.4719 6.3927 6.4067 6.4809 6.4936 7.3316 7.3645 7.9084 7.9391 8.0335 8.1060 8.3406 8.5391 8.5927 8.7505 8.9528 8.9755 9.0416 9.1464 9.1684 9.2127 9.3762 9.5216 9.6342 9.6383 9.7937 9.9121 10.0577 10.1522 10.2747 10.5177 10.5580 10.6658 10.8085 11.0292 11.4037 11.4665 11.5143 11.6014 11.7389 11.8379 11.9862 12.2313 12.3590 12.4243 12.4711 12.5581 13.5081 13.6517 13.7493 13.7912 15.5058 15.7497 16.3907 16.4957 16.7611 16.7792 17.1541 17.3743 17.5530 17.7974 k = 0.2174 0.2174-0.0000 ( 3463 PWs) bands (ev): 3.4033 3.4039 6.4233 6.4395 6.5260 6.5407 7.3276 7.3632 7.9171 7.9511 8.0673 8.1337 8.3527 8.5470 8.5920 8.7449 8.9562 8.9839 9.0405 9.1429 9.1490 9.2134 9.3784 9.5221 9.6280 9.6388 9.7776 9.8933 10.0350 10.1446 10.2654 10.4773 10.5421 10.6660 10.8146 11.0434 11.4134 11.4919 11.5284 11.6162 11.7622 11.8617 11.9996 12.2414 12.2975 12.4200 12.4733 12.6007 13.5365 13.6832 13.7893 13.8578 15.4502 15.6955 16.3438 16.4407 16.8310 16.8514 17.1734 17.3959 17.5720 17.7944 k = 0.2065 0.2065-0.0000 ( 3461 PWs) bands (ev): 3.3383 3.3389 6.4541 6.4724 6.5712 6.5878 7.3220 7.3605 7.9263 7.9632 8.1009 8.1623 8.3635 8.5509 8.5968 8.7404 8.9580 8.9909 9.0375 9.1194 9.1492 9.2180 9.3813 9.5203 9.6239 9.6403 9.7571 9.8742 10.0108 10.1401 10.2578 10.4366 10.5288 10.6679 10.8203 11.0539 11.4167 11.5057 11.5496 11.6258 11.7857 11.8838 12.0144 12.2329 12.2597 12.3942 12.5067 12.6475 13.5386 13.6926 13.8543 13.9307 15.3876 15.6318 16.3080 16.3969 16.9040 16.9268 17.2042 17.4244 17.5956 17.7910 k = 0.1957 0.1957-0.0000 ( 3457 PWs) bands (ev): 3.2764 3.2769 6.4851 6.5056 6.6161 6.6345 7.3151 7.3568 7.9369 7.9760 8.1329 8.1900 8.3731 8.5516 8.6067 8.7376 8.9580 8.9967 9.0330 9.0971 9.1491 9.2262 9.3843 9.5161 9.6219 9.6423 9.7321 9.8542 9.9893 10.1352 10.2511 10.3986 10.5179 10.6710 10.8252 11.0604 11.4120 11.5044 11.5795 11.6313 11.8102 11.9034 12.0302 12.1905 12.2653 12.3750 12.5435 12.6957 13.5282 13.6938 13.9236 13.9960 15.3198 15.5608 16.2873 16.3688 16.9800 17.0051 17.2450 17.4594 17.6230 17.7945 k = 0.1848 0.1848-0.0000 ( 3461 PWs) bands (ev): 3.2176 3.2180 6.5165 6.5391 6.6601 6.6803 7.3071 7.3522 7.9494 7.9897 8.1621 8.2154 8.3813 8.5509 8.6206 8.7372 8.9559 9.0013 9.0281 9.0773 9.1487 9.2371 9.3867 9.5103 9.6214 9.6439 9.7039 9.8329 9.9726 10.1268 10.2451 10.3660 10.5094 10.6752 10.8289 11.0629 11.3982 11.4918 11.6097 11.6378 11.8362 11.9205 12.0465 12.1565 12.2741 12.3641 12.5813 12.7445 13.5115 13.6924 13.9855 14.0480 15.2483 15.4843 16.2857 16.3602 17.0591 17.0861 17.2944 17.5003 17.6538 17.8062 k = 0.1739 0.1739-0.0000 ( 3465 PWs) bands (ev): 3.1619 3.1623 6.5482 6.5729 6.7029 6.7249 7.2981 7.3469 7.9639 8.0046 8.1871 8.2377 8.3883 8.5497 8.6377 8.7395 8.9510 9.0046 9.0245 9.0609 9.1480 9.2503 9.3876 9.5037 9.6214 9.6404 9.6780 9.8107 9.9609 10.1122 10.2403 10.3407 10.5034 10.6802 10.8314 11.0610 11.3752 11.4685 11.6255 11.6605 11.8635 11.9353 12.0621 12.1340 12.2837 12.3601 12.6195 12.7931 13.4911 13.6895 14.0350 14.0838 15.1741 15.4041 16.3063 16.3742 17.1411 17.1696 17.3513 17.5462 17.6880 17.8256 k = 0.1630 0.1630-0.0000 ( 3465 PWs) bands (ev): 3.1094 3.1097 6.5802 6.6070 6.7443 6.7679 7.2883 7.3411 7.9805 8.0206 8.2068 8.2569 8.3941 8.5480 8.6576 8.7446 8.9432 9.0057 9.0234 9.0501 9.1467 9.2654 9.3862 9.4977 9.6149 9.6252 9.6681 9.7893 9.9527 10.0909 10.2374 10.3228 10.4998 10.6857 10.8325 11.0548 11.3444 11.4352 11.6329 11.6951 11.8917 11.9487 12.0761 12.1223 12.2940 12.3615 12.6574 12.8410 13.4684 13.6855 14.0702 14.1032 15.0983 15.3213 16.3509 16.4125 17.2259 17.2554 17.4146 17.5962 17.7260 17.8519 k = 0.1522 0.1522-0.0000 ( 3455 PWs) bands (ev): 3.0601 3.0603 6.6124 6.6414 6.7838 6.8090 7.2776 7.3347 7.9990 8.0377 8.2204 8.2732 8.3988 8.5455 8.6798 8.7521 8.9330 9.0029 9.0253 9.0478 9.1446 9.2824 9.3814 9.4928 9.5823 9.6234 9.6685 9.7702 9.9460 10.0652 10.2365 10.3105 10.4985 10.6914 10.8324 11.0440 11.3079 11.3935 11.6418 11.7314 11.9205 11.9613 12.0879 12.1195 12.3046 12.3673 12.6942 12.8870 13.4446 13.6800 14.0903 14.1086 15.0213 15.2368 16.4196 16.4754 17.3132 17.3431 17.4834 17.6491 17.7681 17.8841 k = 0.1413 0.1413-0.0000 ( 3459 PWs) bands (ev): 3.0140 3.0142 6.6448 6.6760 6.8212 6.8480 7.2662 7.3277 8.0194 8.0557 8.2281 8.2872 8.4025 8.5418 8.7029 8.7611 8.9215 8.9974 9.0292 9.0545 9.1423 9.3010 9.3731 9.4885 9.5463 9.6227 9.6704 9.7542 9.9388 10.0397 10.2368 10.3012 10.4997 10.6969 10.8314 11.0288 11.2681 11.3461 11.6538 11.7676 11.9490 11.9737 12.0983 12.1224 12.3143 12.3767 12.7283 12.9298 13.4213 13.6732 14.0928 14.1079 14.9435 15.1511 16.5112 16.5615 17.4024 17.4325 17.5570 17.7037 17.8151 17.9215 k = 0.1304 0.1304-0.0000 ( 3455 PWs) bands (ev): 2.9712 2.9714 6.6773 6.7106 6.8563 6.8846 7.2541 7.3202 8.0416 8.0742 8.2309 8.2988 8.4052 8.5370 8.7250 8.7705 8.9096 8.9925 9.0325 9.0688 9.1416 9.3210 9.3618 9.4779 9.5175 9.6213 9.6717 9.7408 9.9297 10.0189 10.2372 10.2930 10.5031 10.7018 10.8298 11.0092 11.2271 11.2954 11.6687 11.8029 11.9745 11.9882 12.1097 12.1276 12.3219 12.3896 12.7580 12.9673 13.4014 13.6652 14.0798 14.1056 14.8651 15.0646 16.6233 16.6682 17.4932 17.5230 17.6350 17.7590 17.8673 17.9634 k = 0.1196 0.1196-0.0000 ( 3441 PWs) bands (ev): 2.9317 2.9319 6.7098 6.7452 6.8888 6.9186 7.2413 7.3120 8.0653 8.0931 8.2301 8.3082 8.4070 8.5310 8.7445 8.7794 8.8978 8.9904 9.0318 9.0898 9.1454 9.3377 9.3531 9.4495 9.5085 9.6183 9.6713 9.7297 9.9196 10.0050 10.2362 10.2843 10.5087 10.7056 10.8282 10.9855 11.1866 11.2434 11.6864 11.8368 11.9909 12.0097 12.1240 12.1328 12.3264 12.4054 12.7809 12.9962 13.3885 13.6573 14.0617 14.0985 14.7862 14.9777 16.7528 16.7927 17.5850 17.6140 17.7169 17.8145 17.9245 18.0092 k = 0.1087 0.1087-0.0000 ( 3449 PWs) bands (ev): 2.8956 2.8957 6.7422 6.7796 6.9185 6.9499 7.2277 7.3031 8.0902 8.1121 8.2272 8.3156 8.4079 8.5237 8.7600 8.7869 8.8866 8.9919 9.0244 9.1167 9.1562 9.3290 9.3694 9.4141 9.5095 9.6120 9.6673 9.7235 9.9115 9.9967 10.2327 10.2743 10.5164 10.7080 10.8271 10.9585 11.1477 11.1915 11.7068 11.8688 12.0025 12.0323 12.1356 12.1450 12.3272 12.4232 12.7945 13.0133 13.3868 13.6516 14.0434 14.0877 14.7073 14.8907 16.8968 16.9314 17.6769 17.7048 17.8024 17.8699 17.9857 18.0584 k = 0.0978 0.0978-0.0000 ( 3447 PWs) bands (ev): 2.8628 2.8629 6.7744 6.8137 6.9454 6.9785 7.2133 7.2933 8.1157 8.1311 8.2232 8.3215 8.4078 8.5153 8.7710 8.7932 8.8762 8.9971 9.0104 9.1472 9.1742 9.3157 9.3681 9.4028 9.5127 9.5989 9.6599 9.7263 9.9076 9.9920 10.2252 10.2621 10.5263 10.7087 10.8270 10.9296 11.1096 11.1423 11.7299 11.8987 12.0129 12.0507 12.1381 12.1713 12.3239 12.4422 12.7970 13.0159 13.3990 13.6516 14.0275 14.0749 14.6286 14.8039 17.0523 17.0813 17.7681 17.7945 17.8907 17.9258 18.0491 18.1106 k = 0.0870 0.0870-0.0000 ( 3447 PWs) bands (ev): 2.8334 2.8335 6.8064 6.8471 6.9692 7.0043 7.1981 7.2825 8.1393 8.1519 8.2189 8.3264 8.4069 8.5057 8.7780 8.7985 8.8669 8.9910 9.0060 9.1750 9.1998 9.3062 9.3344 9.4264 9.5157 9.5757 9.6556 9.7374 9.9080 9.9889 10.2128 10.2476 10.5382 10.7079 10.8274 10.9012 11.0685 11.1000 11.7557 11.9265 12.0226 12.0643 12.1384 12.2047 12.3159 12.4618 12.7883 13.0038 13.4246 13.6605 14.0148 14.0615 14.5505 14.7175 17.2164 17.2394 17.8577 17.8823 17.9786 17.9847 18.1126 18.1648 k = 0.0761 0.0761-0.0000 ( 3443 PWs) bands (ev): 2.8075 2.8075 6.8379 6.8797 6.9898 7.0275 7.1819 7.2705 8.1574 8.1774 8.2150 8.3308 8.4052 8.4948 8.7823 8.8028 8.8588 8.9688 9.0178 9.1917 9.2337 9.2941 9.3120 9.4501 9.5161 9.5465 9.6585 9.7545 9.9116 9.9867 10.1946 10.2303 10.5523 10.7059 10.8258 10.8774 11.0222 11.0671 11.7844 11.9522 12.0318 12.0736 12.1370 12.2439 12.3024 12.4814 12.7704 12.9781 13.4611 13.6808 14.0052 14.0484 14.4735 14.6318 17.3862 17.4029 17.9445 17.9672 18.0396 18.0712 18.1744 18.2204 k = 0.0652 0.0652-0.0000 ( 3435 PWs) bands (ev): 2.7849 2.7849 6.8688 6.9110 7.0073 7.0483 7.1648 7.2573 8.1715 8.2054 8.2120 8.3353 8.4026 8.4825 8.7852 8.8063 8.8517 8.9450 9.0321 9.1976 9.2589 9.2756 9.3222 9.4632 9.5063 9.5279 9.6703 9.7760 9.9175 9.9847 10.1704 10.2098 10.5685 10.7037 10.8160 10.8656 10.9741 11.0399 11.8158 11.9758 12.0405 12.0797 12.1338 12.2831 12.2877 12.5008 12.7467 12.9412 13.5057 13.7129 13.9972 14.0370 14.3982 14.5470 17.5583 17.5693 18.0274 18.0479 18.0989 18.1563 18.2330 18.2782 k = 0.0543 0.0543-0.0000 ( 3435 PWs) bands (ev): 2.7658 2.7658 6.8992 6.9407 7.0214 7.0670 7.1466 7.2426 8.1826 8.2095 8.2346 8.3401 8.3993 8.4687 8.7880 8.8092 8.8457 8.9209 9.0480 9.1980 9.2308 9.3108 9.3432 9.4445 9.5028 9.5229 9.6929 9.8007 9.9244 9.9831 10.1401 10.1859 10.5871 10.7021 10.7977 10.8667 10.9267 11.0161 11.8500 11.9974 12.0486 12.0834 12.1289 12.2574 12.3351 12.5197 12.7206 12.8954 13.5561 13.7557 13.9883 14.0289 14.3255 14.4633 17.7272 17.7374 18.1050 18.1230 18.1597 18.2306 18.2869 18.3401 k = 0.0435 0.0435-0.0000 ( 3413 PWs) bands (ev): 2.7502 2.7502 6.9287 6.9680 7.0321 7.0843 7.1272 7.2266 8.1910 8.2082 8.2637 8.3455 8.3952 8.4533 8.7915 8.8119 8.8406 8.8975 9.0646 9.1983 9.2034 9.3468 9.3682 9.4083 9.5050 9.5176 9.7264 9.8273 9.9315 9.9826 10.1042 10.1590 10.6081 10.7017 10.7779 10.8724 10.8823 10.9947 11.8869 12.0172 12.0562 12.0851 12.1224 12.2258 12.3856 12.5381 12.6947 12.8432 13.6109 13.8072 13.9751 14.0262 14.2568 14.3810 17.8885 17.9037 18.1754 18.1917 18.2210 18.2892 18.3337 18.4039 k = 0.0326 0.0326-0.0000 ( 3413 PWs) bands (ev): 2.7380 2.7380 6.9574 6.9921 7.0394 7.1005 7.1069 7.2092 8.1970 8.2075 8.2923 8.3516 8.3904 8.4359 8.7964 8.8146 8.8360 8.8756 9.0807 9.1780 9.2042 9.3670 9.3826 9.3942 9.5017 9.5094 9.7686 9.8544 9.9364 9.9854 10.0634 10.1294 10.6317 10.7031 10.7597 10.8360 10.8849 10.9751 11.9263 12.0352 12.0633 12.0850 12.1145 12.1891 12.4386 12.5561 12.6705 12.7869 13.6684 13.8656 13.9554 14.0290 14.1942 14.3002 18.0400 18.0591 18.2372 18.2544 18.2796 18.3321 18.3715 18.4562 k = 0.0217 0.0217-0.0000 ( 3413 PWs) bands (ev): 2.7293 2.7293 6.9852 7.0122 7.0429 7.0847 7.1175 7.1909 8.2011 8.2072 8.3202 8.3582 8.3849 8.4166 8.8033 8.8175 8.8318 8.8559 9.0954 9.1566 9.2165 9.3305 9.4119 9.4190 9.4929 9.4976 9.8165 9.8799 9.9364 9.9945 10.0187 10.0984 10.6582 10.7065 10.7440 10.7947 10.8968 10.9570 11.9678 12.0514 12.0697 12.0834 12.1051 12.1488 12.4938 12.5737 12.6484 12.7282 13.7272 13.9254 13.9314 14.0367 14.1407 14.2211 18.1769 18.1921 18.2888 18.3100 18.3328 18.3613 18.3993 18.4734 k = 0.0109 0.0109-0.0000 ( 3413 PWs) bands (ev): 2.7240 2.7240 7.0118 7.0273 7.0424 7.0616 7.1348 7.1720 8.2038 8.2067 8.3469 8.3651 8.3787 8.3953 8.8124 8.8207 8.8279 8.8386 9.1090 9.1383 9.2366 9.2951 9.4390 9.4420 9.4795 9.4819 9.8672 9.9018 9.9303 9.9690 10.0136 10.0673 10.6877 10.7122 10.7309 10.7560 10.9101 10.9402 12.0104 12.0643 12.0757 12.0801 12.0945 12.1082 12.5508 12.5914 12.6281 12.6687 13.7855 13.8887 13.9979 14.0497 14.0991 14.1441 18.2834 18.2881 18.3249 18.3437 18.3853 18.3926 18.4195 18.4620 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 2.7223 2.7223 7.0373 7.0373 7.0373 7.0373 7.1531 7.1531 8.2056 8.2056 8.3720 8.3720 8.3720 8.3720 8.8242 8.8242 8.8242 8.8242 9.1228 9.1228 9.2633 9.2633 9.4624 9.4624 9.4624 9.4624 9.9187 9.9187 9.9187 9.9187 10.0381 10.0381 10.7203 10.7203 10.7203 10.7203 10.9245 10.9245 12.0510 12.0510 12.0834 12.0834 12.0834 12.0834 12.6093 12.6093 12.6093 12.6093 13.8405 13.8405 14.0696 14.0696 14.0696 14.0696 18.3332 18.3332 18.3332 18.3332 18.4336 18.4336 18.4543 18.4543 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): 2.7223 2.7223 7.0373 7.0373 7.0373 7.0373 7.1531 7.1531 8.2056 8.2056 8.3720 8.3720 8.3720 8.3720 8.8242 8.8242 8.8242 8.8242 9.1228 9.1228 9.2633 9.2633 9.4624 9.4624 9.4624 9.4624 9.9187 9.9187 9.9187 9.9187 10.0381 10.0381 10.7203 10.7203 10.7203 10.7203 10.9245 10.9245 12.0510 12.0510 12.0834 12.0834 12.0834 12.0834 12.6093 12.6093 12.6093 12.6093 13.8405 13.8405 14.0696 14.0696 14.0696 14.0696 18.3332 18.3332 18.3332 18.3332 18.4336 18.4336 18.4543 18.4543 k = 0.0089 0.0089 0.0089 ( 3410 PWs) bands (ev): 2.7241 2.7241 7.0114 7.0289 7.0404 7.0624 7.1346 7.1722 8.2038 8.2067 8.3461 8.3682 8.3755 8.3961 8.8120 8.8227 8.8257 8.8392 9.1089 9.1384 9.2364 9.2953 9.4401 9.4405 9.4803 9.4815 9.8655 9.9085 9.9233 9.9710 10.0135 10.0674 10.6864 10.7187 10.7243 10.7575 10.9100 10.9403 12.0098 12.0701 12.0718 12.0781 12.0935 12.1098 12.5496 12.5939 12.6259 12.6696 13.7850 13.8891 13.9972 14.0503 14.0991 14.1444 18.2774 18.2947 18.3202 18.3487 18.3826 18.3918 18.4189 18.4641 k = 0.0179 0.0179 0.0179 ( 3413 PWs) bands (ev): 2.7294 2.7294 6.9849 7.0154 7.0384 7.0862 7.1168 7.1914 8.2012 8.2071 8.3189 8.3643 8.3786 8.4180 8.8024 8.8213 8.8277 8.8571 9.0953 9.1567 9.2163 9.3310 9.4138 9.4160 9.4939 9.4974 9.8135 9.8909 9.9246 9.9961 10.0210 10.0981 10.6555 10.7198 10.7302 10.7982 10.8966 10.9572 11.9662 12.0588 12.0719 12.0754 12.1021 12.1516 12.4911 12.5790 12.6443 12.7297 13.7261 13.9281 13.9288 14.0386 14.1403 14.2210 18.1675 18.2232 18.2394 18.3094 18.3450 18.3711 18.3906 18.4815 k = 0.0268 0.0268 0.0268 ( 3419 PWs) bands (ev): 2.7382 2.7382 6.9579 6.9976 7.0317 7.0992 7.1086 7.2100 8.1976 8.2072 8.2908 8.3604 8.3810 8.4373 8.7953 8.8195 8.8303 8.8778 9.0804 9.1782 9.2040 9.3692 9.3846 9.3888 9.5036 9.5094 9.7651 9.8667 9.9241 9.9858 10.0673 10.1281 10.6273 10.7239 10.7373 10.8425 10.8846 10.9755 11.9236 12.0444 12.0706 12.0723 12.1090 12.1930 12.4343 12.5642 12.6650 12.7884 13.6665 13.8636 13.9602 14.0326 14.1920 14.2988 18.0350 18.1065 18.1343 18.2244 18.3148 18.3435 18.3713 18.4946 k = 0.0357 0.0357 0.0357 ( 3419 PWs) bands (ev): 2.7505 2.7505 6.9307 6.9768 7.0208 7.0811 7.1293 7.2273 8.1933 8.2068 8.2625 8.3565 8.3827 8.4540 8.7902 8.8173 8.8337 8.9009 9.0641 9.1987 9.2028 9.3538 9.3588 9.4083 9.5103 9.5157 9.7235 9.8388 9.9228 9.9800 10.1091 10.1557 10.6015 10.7313 10.7448 10.8745 10.8905 10.9954 11.8830 12.0287 12.0679 12.0683 12.1139 12.2309 12.3798 12.5490 12.6882 12.8442 13.6090 13.8052 13.9859 14.0309 14.2511 14.3773 17.8923 17.9497 18.0366 18.1198 18.2544 18.2757 18.3756 18.5056 k = 0.0446 0.0446 0.0446 ( 3431 PWs) bands (ev): 2.7663 2.7664 6.9035 6.9538 7.0064 7.0621 7.1478 7.2427 8.1882 8.2060 8.2344 8.3525 8.3836 8.4681 8.7867 8.8143 8.8378 8.9259 9.0469 9.1975 9.2305 9.3242 9.3264 9.4451 9.5141 9.5168 9.6920 9.8100 9.9213 9.9766 10.1456 10.1800 10.5781 10.7418 10.7518 10.8669 10.9420 11.0171 11.8447 12.0115 12.0632 12.0641 12.1165 12.2638 12.3282 12.5332 12.7131 12.8947 13.5563 13.7554 14.0084 14.0326 14.3145 14.4562 17.7432 17.7811 17.9345 18.0016 18.1627 18.1916 18.3812 18.5166 k = 0.0536 0.0536 0.0536 ( 3440 PWs) bands (ev): 2.7857 2.7857 6.8765 6.9295 6.9890 7.0418 7.1638 7.2556 8.1827 8.2047 8.2068 8.3482 8.3837 8.4796 8.7844 8.8102 8.8429 8.9519 9.0302 9.1948 9.2607 9.2923 9.3006 9.4716 9.5032 9.5309 9.6731 9.7821 9.9203 9.9743 10.1766 10.2003 10.5571 10.7551 10.7569 10.8629 10.9963 11.0409 11.8091 11.9928 12.0569 12.0592 12.1160 12.2804 12.2907 12.5163 12.7377 12.9368 13.5113 13.7173 14.0292 14.0371 14.3801 14.5350 17.5896 17.6070 17.8308 17.8764 18.0517 18.0973 18.3884 18.5270 k = 0.0625 0.0625 0.0625 ( 3443 PWs) bands (ev): 2.8085 2.8085 6.8496 6.9045 6.9690 7.0201 7.1771 7.2654 8.1770 8.1802 8.2029 8.3434 8.3831 8.4887 8.7829 8.8047 8.8489 8.9776 9.0146 9.1838 9.2583 9.2894 9.2929 9.4801 9.4847 9.5599 9.6653 9.7563 9.9206 9.9724 10.2019 10.2166 10.5385 10.7590 10.7706 10.8634 11.0527 11.0668 11.7761 11.9724 12.0493 12.0533 12.1113 12.2381 12.3114 12.4983 12.7586 12.9668 13.4779 13.6943 14.0438 14.0493 14.4462 14.6133 17.4312 17.4332 17.7273 17.7491 17.9337 17.9982 18.3972 18.5371 k = 0.0714 0.0714 0.0714 ( 3455 PWs) bands (ev): 2.8348 2.8348 6.8232 6.8793 6.9470 6.9971 7.1873 7.2718 8.1546 8.1713 8.2004 8.3378 8.3818 8.4956 8.7817 8.7975 8.8557 9.0009 9.0010 9.1629 9.2271 9.2913 9.3263 9.4622 9.4780 9.5960 9.6648 9.7338 9.9230 9.9707 10.2214 10.2293 10.5225 10.7576 10.7876 10.8688 11.0949 11.1104 11.7458 11.9501 12.0402 12.0461 12.1004 12.2037 12.3262 12.4790 12.7711 12.9816 13.4601 13.6895 14.0525 14.0690 14.5120 14.6907 17.2565 17.2756 17.6226 17.6254 17.8155 17.8984 18.4080 18.5535 k = 0.0804 0.0804 0.0804 ( 3449 PWs) bands (ev): 2.8645 2.8646 6.7973 6.8541 6.9234 6.9731 7.1942 7.2743 8.1301 8.1655 8.1970 8.3312 8.3799 8.5004 8.7803 8.7883 8.8633 8.9893 9.0188 9.1376 9.2034 9.3005 9.3597 9.4389 9.4722 9.6318 9.6678 9.7155 9.9287 9.9693 10.2353 10.2393 10.5095 10.7533 10.8053 10.8783 11.1251 11.1683 11.7182 11.9257 12.0296 12.0375 12.0816 12.1792 12.3356 12.4582 12.7714 12.9797 13.4607 13.7037 14.0625 14.0883 14.5766 14.7667 17.0850 17.1188 17.4993 17.5261 17.7008 17.8004 18.4207 18.5681 k = 0.0893 0.0893 0.0893 ( 3455 PWs) bands (ev): 2.8977 2.8977 6.7719 6.8293 6.8986 6.9484 7.1975 7.2729 8.1066 8.1592 8.1925 8.3237 8.3775 8.5033 8.7770 8.7782 8.8716 8.9800 9.0268 9.1123 9.1923 9.3117 9.3907 9.4165 9.4665 9.6643 9.6721 9.7025 9.9386 9.9683 10.2438 10.2476 10.4996 10.7470 10.8230 10.8908 11.1572 11.2252 11.6932 11.8989 12.0174 12.0275 12.0570 12.1634 12.3403 12.4358 12.7577 12.9628 13.4800 13.7349 14.0735 14.1069 14.6393 14.8408 16.9188 16.9647 17.3806 17.4305 17.5913 17.7062 18.4354 18.5813 k = 0.0982 0.0982 0.0982 ( 3461 PWs) bands (ev): 2.9342 2.9343 6.7472 6.8048 6.8730 6.9231 7.1973 7.2675 8.0837 8.1517 8.1866 8.3156 8.3749 8.5043 8.7640 8.7753 8.8804 8.9729 9.0241 9.0894 9.1959 9.3218 9.3958 9.4127 9.4678 9.6766 9.6916 9.6954 9.9534 9.9680 10.2473 10.2555 10.4931 10.7396 10.8401 10.9053 11.1907 11.2798 11.6707 11.8697 12.0035 12.0159 12.0307 12.1525 12.3408 12.4117 12.7316 12.9341 13.5149 13.7787 14.0850 14.1245 14.6995 14.9123 16.7597 16.8157 17.2681 17.3397 17.4881 17.6172 18.4522 18.5919 k = 0.1071 0.1071 0.1071 ( 3455 PWs) bands (ev): 2.9742 2.9743 6.7233 6.7810 6.8469 6.8975 7.1936 7.2582 8.0610 8.1421 8.1792 8.3072 8.3721 8.5036 8.7498 8.7716 8.8896 8.9679 9.0149 9.0696 9.2102 9.3293 9.3773 9.4168 9.4847 9.6804 9.6944 9.7131 9.9690 9.9729 10.2465 10.2647 10.4897 10.7317 10.8564 10.9212 11.2251 11.3306 11.6506 11.8386 11.9880 12.0023 12.0059 12.1439 12.3375 12.3859 12.6965 12.8973 13.5604 13.8301 14.0965 14.1408 14.7564 14.9804 16.6100 16.6742 17.1628 17.2547 17.3921 17.5344 18.4712 18.5951 k = 0.1161 0.1161 0.1161 ( 3449 PWs) bands (ev): 3.0175 3.0176 6.7001 6.7579 6.8207 6.8721 7.1866 7.2453 8.0380 8.1291 8.1700 8.2991 8.3693 8.5014 8.7353 8.7674 8.8990 8.9646 9.0048 9.0532 9.2288 9.3338 9.3619 9.4097 9.5099 9.6830 9.6990 9.7294 9.9717 9.9958 10.2420 10.2767 10.4894 10.7237 10.8715 10.9377 11.2597 11.3758 11.6328 11.8061 11.9707 11.9841 11.9864 12.1365 12.3304 12.3583 12.6564 12.8558 13.6108 13.8842 14.1075 14.1551 14.8094 15.0443 16.4719 16.5429 17.0661 17.1765 17.3041 17.4588 18.4924 18.5829 k = 0.1250 0.1250 0.1250 ( 3458 PWs) bands (ev): 3.0641 3.0642 6.6778 6.7356 6.7947 6.8469 7.1764 7.2291 8.0139 8.1120 8.1589 8.2916 8.3666 8.4980 8.7216 8.7635 8.9084 8.9626 8.9968 9.0398 9.2465 9.3358 9.3513 9.3993 9.5350 9.6843 9.7080 9.7416 9.9769 10.0202 10.2349 10.2933 10.4917 10.7158 10.8853 10.9547 11.2938 11.4138 11.6171 11.7729 11.9517 11.9661 11.9681 12.1301 12.3193 12.3289 12.6149 12.8120 13.6603 13.9363 14.1173 14.1669 14.8579 15.1029 16.3484 16.4249 16.9789 17.1062 17.2249 17.3911 18.5159 18.5486 k = 0.1339 0.1339 0.1339 ( 3452 PWs) bands (ev): 3.1140 3.1141 6.6565 6.7141 6.7690 6.8222 7.1633 7.2099 7.9883 8.0903 8.1458 8.2843 8.3641 8.4940 8.7096 8.7606 8.9177 8.9618 8.9918 9.0290 9.2582 9.3362 9.3487 9.3880 9.5571 9.6839 9.7196 9.7510 9.9852 10.0445 10.2258 10.3154 10.4963 10.7081 10.8978 10.9718 11.3267 11.4425 11.6035 11.7397 11.9310 11.9469 11.9521 12.1252 12.2977 12.3039 12.5752 12.7676 13.7038 13.9817 14.1253 14.1756 14.9012 15.1552 16.2428 16.3237 16.9026 17.0449 17.1555 17.3322 18.4900 18.4919 k = 0.1429 0.1429 0.1429 ( 3452 PWs) bands (ev): 3.1672 3.1673 6.6361 6.6936 6.7440 6.7982 7.1478 7.1883 7.9609 8.0643 8.1306 8.2764 8.3619 8.4899 8.7001 8.7593 8.9266 8.9617 8.9898 9.0203 9.2606 9.3363 9.3560 9.3767 9.5750 9.6818 9.7321 9.7582 9.9972 10.0680 10.2156 10.3433 10.5028 10.7006 10.9090 10.9888 11.3577 11.4604 11.5917 11.7073 11.9086 11.9224 11.9417 12.1226 12.2646 12.2837 12.5399 12.7241 13.7367 14.0159 14.1303 14.1806 14.9386 15.1999 16.1585 16.2430 16.8379 16.9933 17.0971 17.2828 18.4132 18.4156 k = 0.1518 0.1518 0.1518 ( 3446 PWs) bands (ev): 3.2236 3.2237 6.6166 6.6740 6.7197 6.7752 7.1302 7.1647 7.9314 8.0348 8.1132 8.2670 8.3600 8.4864 8.6938 8.7597 8.9349 8.9623 8.9902 9.0131 9.2556 9.3370 9.3657 9.3707 9.5884 9.6779 9.7444 9.7635 10.0131 10.0911 10.2048 10.3765 10.5112 10.6935 10.9188 11.0055 11.3860 11.4668 11.5817 11.6761 11.8846 11.8945 11.9336 12.1234 12.2297 12.2590 12.5107 12.6825 13.7552 14.0349 14.1310 14.1812 14.9696 15.2361 16.0990 16.1862 16.7860 16.9523 17.0510 17.2436 18.3198 18.3232 k = 0.1607 0.1607 0.1607 ( 3440 PWs) bands (ev): 3.2831 3.2832 6.5982 6.6554 6.6965 6.7532 7.1109 7.1395 7.9000 8.0025 8.0938 8.2552 8.3584 8.4839 8.6907 8.7618 8.9423 8.9632 8.9924 9.0069 9.2472 9.3390 9.3552 9.3882 9.5976 9.6723 9.7557 9.7668 10.0326 10.1145 10.1938 10.4137 10.5211 10.6866 10.9273 11.0218 11.4109 11.4621 11.5732 11.6462 11.8592 11.8630 11.9259 12.1285 12.1932 12.2305 12.4881 12.6439 13.7569 14.0351 14.1260 14.1769 14.9937 15.2631 16.0671 16.1560 16.7475 16.9223 17.0182 17.2152 18.2126 18.2178 k = 0.1696 0.1696 0.1696 ( 3440 PWs) bands (ev): 3.3457 3.3459 6.5809 6.6378 6.6744 6.7324 7.0902 7.1131 7.8670 7.9683 8.0724 8.2403 8.3572 8.4825 8.6909 8.7654 8.9488 8.9644 8.9959 9.0016 9.2377 9.3428 9.3453 9.4059 9.6032 9.6652 9.7660 9.7680 10.0554 10.1390 10.1830 10.4533 10.5327 10.6801 10.9346 11.0375 11.4317 11.4479 11.5661 11.6175 11.8281 11.8324 11.9168 12.1377 12.1551 12.1998 12.4717 12.6092 13.7406 14.0148 14.1140 14.1674 15.0107 15.2801 16.0642 16.1532 16.7228 16.9036 16.9997 17.1982 18.0942 18.1019 k = 0.1786 0.1786 0.1786 ( 3446 PWs) bands (ev): 3.4114 3.4116 6.5646 6.6213 6.6535 6.7129 7.0685 7.0859 7.8328 7.9330 8.0492 8.2221 8.3563 8.4824 8.6938 8.7700 8.9540 8.9657 8.9968 9.0001 9.2283 9.3358 9.3487 9.4221 9.6059 9.6570 9.7671 9.7755 10.0806 10.1651 10.1724 10.4940 10.5456 10.6738 10.9405 11.0524 11.4265 11.4476 11.5600 11.5898 11.7900 11.8044 11.9049 12.1157 12.1497 12.1683 12.4606 12.5796 13.7064 13.9741 14.0948 14.1524 15.0203 15.2870 16.0899 16.1776 16.7122 16.8962 16.9961 17.1929 17.9671 17.9781 k = 0.1875 0.1875 0.1875 ( 3440 PWs) bands (ev): 3.4801 3.4803 6.5494 6.6059 6.6339 6.6948 7.0461 7.0582 7.7978 7.8972 8.0244 8.2006 8.3556 8.4834 8.6989 8.7753 8.9578 8.9669 8.9925 9.0047 9.2193 9.3266 9.3567 9.4357 9.6061 9.6484 9.7646 9.7847 10.1074 10.1622 10.1928 10.5342 10.5599 10.6679 10.9453 11.0665 11.3998 11.4580 11.5546 11.5627 11.7496 11.7756 11.8899 12.0753 12.1375 12.1619 12.4539 12.5565 13.6558 13.9149 14.0689 14.1320 15.0227 15.2836 16.1421 16.2271 16.7152 16.8997 17.0074 17.1993 17.8338 17.8488 k = 0.1964 0.1964 0.1964 ( 3446 PWs) bands (ev): 3.5518 3.5520 6.5352 6.5915 6.6158 6.6782 7.0233 7.0302 7.7627 7.8615 7.9981 8.1762 8.3551 8.4853 8.7054 8.7809 8.9600 8.9675 8.9888 9.0093 9.2111 9.3174 9.3667 9.4456 9.6046 9.6406 9.7608 9.7941 10.1352 10.1523 10.2217 10.5727 10.5755 10.6622 10.9491 11.0794 11.3698 11.4623 11.5362 11.5495 11.7079 11.7462 11.8719 12.0342 12.1081 12.1716 12.4507 12.5414 13.5908 13.8403 14.0375 14.1063 15.0180 15.2699 16.2173 16.2988 16.7310 16.9133 17.0330 17.2170 17.6968 17.7169 k = 0.2054 0.2054 0.2054 ( 3449 PWs) bands (ev): 3.6264 3.6266 6.5222 6.5782 6.5991 6.6631 7.0003 7.0024 7.7278 7.8264 7.9707 8.1493 8.3548 8.4879 8.7124 8.7864 8.9604 8.9670 8.9862 9.0135 9.2037 9.3079 9.3784 9.4506 9.6015 9.6348 9.7564 9.8041 10.1425 10.1631 10.2515 10.5923 10.6079 10.6568 10.9523 11.0911 11.3378 11.4603 11.5104 11.5442 11.6659 11.7165 11.8512 11.9932 12.0805 12.1762 12.4503 12.5354 13.5144 13.7536 14.0018 14.0757 15.0065 15.2467 16.3111 16.3896 16.7577 16.9347 17.0722 17.2453 17.5600 17.5859 k = 0.2143 0.2143 0.2143 ( 3443 PWs) bands (ev): 3.7037 3.7040 6.5102 6.5660 6.5839 6.6496 6.9748 6.9773 7.6937 7.7922 7.9423 8.1205 8.3546 8.4910 8.7193 8.7916 8.9590 8.9651 8.9849 9.0169 9.1971 9.2979 9.3916 9.4495 9.5973 9.6326 9.7520 9.8151 10.1327 10.1907 10.2817 10.6102 10.6383 10.6516 10.9552 11.1012 11.3048 11.4519 11.4855 11.5379 11.6248 11.6872 11.8283 11.9529 12.0550 12.1743 12.4521 12.5386 13.4295 13.6583 13.9632 14.0407 14.9887 15.2149 16.4176 16.4960 16.7923 16.9585 17.1237 17.2818 17.4316 17.4620 k = 0.2232 0.2232 0.2232 ( 3449 PWs) bands (ev): 3.7839 3.7841 6.4994 6.5548 6.5703 6.6377 6.9477 6.9545 7.6607 7.7592 7.9133 8.0904 8.3545 8.4944 8.7254 8.7963 8.9556 8.9619 8.9847 9.0194 9.1911 9.2871 9.4058 9.4419 9.5921 9.6347 9.7478 9.8274 10.1225 10.2175 10.3120 10.6290 10.6467 10.6619 10.9587 11.1095 11.2717 11.4377 11.4614 11.5296 11.5855 11.6589 11.8034 11.9143 12.0314 12.1659 12.4554 12.5500 13.3394 13.5573 13.9224 14.0019 14.9650 15.1757 16.5275 16.6150 16.8302 16.9683 17.1865 17.2962 17.3564 17.3577 k = 0.2321 0.2321 0.2321 ( 3455 PWs) bands (ev): 3.8667 3.8670 6.4896 6.5447 6.5582 6.6273 6.9213 6.9321 7.6291 7.7276 7.8838 8.0593 8.3545 8.4979 8.7303 8.8003 8.9502 8.9579 8.9849 9.0208 9.1855 9.2752 9.4206 9.4283 9.5862 9.6412 9.7441 9.8410 10.1115 10.2431 10.3416 10.6421 10.6487 10.6773 10.9631 11.1155 11.2393 11.4185 11.4385 11.5182 11.5490 11.6324 11.7771 11.8787 12.0096 12.1523 12.4591 12.5677 13.2470 13.4532 13.8806 13.9601 14.9361 15.1306 16.6156 16.7436 16.8735 16.9284 17.2595 17.2614 17.2894 17.4011 k = 0.2411 0.2411 0.2411 ( 3461 PWs) bands (ev): 3.9521 3.9524 6.4809 6.5356 6.5476 6.6186 6.8958 6.9101 7.5992 7.6978 7.8542 8.0278 8.3544 8.5014 8.7336 8.8035 8.9426 8.9534 8.9850 9.0211 9.1799 9.2621 9.4097 9.4356 9.5796 9.6513 9.7408 9.8560 10.0995 10.2670 10.3701 10.6379 10.6691 10.6833 10.9685 11.1187 11.2082 11.3958 11.4166 11.5028 11.5160 11.6084 11.7495 11.8474 11.9894 12.1347 12.4623 12.5894 13.1553 13.3482 13.8383 13.9159 14.9025 15.0806 16.6295 16.8265 16.8791 16.9522 17.2814 17.2848 17.3424 17.4658 k = 0.2500 0.2500 0.2500 ( 3467 PWs) bands (ev): 4.0400 4.0404 6.4733 6.5275 6.5386 6.6113 6.8712 6.8887 7.5714 7.6697 7.8247 7.9962 8.3543 8.5047 8.7351 8.8060 8.9328 8.9488 8.9847 9.0201 9.1739 9.2478 9.3875 9.4503 9.5724 9.6641 9.7379 9.8723 10.0860 10.2888 10.3965 10.6342 10.6803 10.6900 10.9736 11.1185 11.1791 11.3708 11.3960 11.4832 11.4877 11.5874 11.7211 11.8215 11.9704 12.1146 12.4631 12.6128 13.0673 13.2442 13.7962 13.8700 14.8646 15.0269 16.5596 16.6933 17.0189 17.0766 17.3298 17.3471 17.4348 17.5399 k = 0.2589 0.2589 0.2589 ( 3449 PWs) bands (ev): 4.1303 4.1307 6.4668 6.5204 6.5309 6.6056 6.8476 6.8680 7.5456 7.6436 7.7956 7.9649 8.3540 8.5076 8.7346 8.8077 8.9208 8.9441 8.9837 9.0180 9.1673 9.2324 9.3627 9.4642 9.5645 9.6787 9.7351 9.8895 10.0708 10.3081 10.4191 10.6314 10.6704 10.7112 10.9760 11.1143 11.1526 11.3446 11.3766 11.4602 11.4658 11.5691 11.6921 11.8019 11.9524 12.0929 12.4593 12.6358 12.9865 13.1437 13.7549 13.8230 14.8232 14.9703 16.4460 16.5486 17.1603 17.2230 17.4165 17.4286 17.5372 17.6223 k = 0.2679 0.2679 0.2679 ( 3452 PWs) bands (ev): 4.2230 4.2234 6.4612 6.5143 6.5247 6.6012 6.8252 6.8480 7.5222 7.6195 7.7671 7.9343 8.3535 8.5100 8.7323 8.8086 8.9066 8.9394 8.9819 9.0148 9.1596 9.2161 9.3365 9.4769 9.5559 9.6946 9.7321 9.9072 10.0534 10.3242 10.4350 10.6299 10.6573 10.7327 10.9726 11.1053 11.1290 11.3190 11.3584 11.4356 11.4518 11.5535 11.6630 11.7887 11.9351 12.0701 12.4478 12.6552 12.9168 13.0495 13.7149 13.7755 14.7786 14.9116 16.3130 16.3994 17.3006 17.3771 17.5214 17.5297 17.6502 17.7132 k = 0.2768 0.2768 0.2768 ( 3452 PWs) bands (ev): 4.3178 4.3183 6.4567 6.5091 6.5199 6.5982 6.8040 6.8289 7.5012 7.5976 7.7395 7.9046 8.3526 8.5118 8.7280 8.8089 8.8899 8.9348 8.9792 9.0106 9.1506 9.1992 9.3096 9.4880 9.5464 9.7109 9.7285 9.9248 10.0336 10.3364 10.4401 10.6301 10.6467 10.7542 10.9604 11.0911 11.1089 11.2958 11.3414 11.4112 11.4463 11.5407 11.6342 11.7812 11.9183 12.0466 12.4255 12.6658 12.8621 12.9673 13.6764 13.7280 14.7314 14.8513 16.1713 16.2488 17.4376 17.5323 17.6211 17.6643 17.7747 17.8131 k = 0.2857 0.2857 0.2857 ( 3449 PWs) bands (ev): 4.4147 4.4153 6.4532 6.5049 6.5163 6.5963 6.7840 6.8105 7.4828 7.5779 7.7131 7.8762 8.3513 8.5127 8.7218 8.8087 8.8710 8.9302 8.9756 9.0053 9.1401 9.1818 9.2828 9.4972 9.5359 9.7239 9.7271 9.9415 10.0113 10.3440 10.4299 10.6328 10.6434 10.7756 10.9383 11.0720 11.0926 11.2771 11.3256 11.3885 11.4489 11.5311 11.6059 11.7786 11.9017 12.0228 12.3906 12.6573 12.8246 12.9074 13.6398 13.6809 14.6818 14.7900 16.0254 16.0981 17.5697 17.6856 17.7247 17.8170 17.9105 17.9229 k = 0.2946 0.2946 0.2946 ( 3449 PWs) bands (ev): 4.5137 4.5142 6.4506 6.5015 6.5139 6.5955 6.7654 6.7930 7.4670 7.5604 7.6881 7.8492 8.3494 8.5126 8.7138 8.8079 8.8497 8.9256 8.9712 8.9990 9.1279 9.1642 9.2569 9.5043 9.5242 9.7178 9.7426 9.9564 9.9865 10.3463 10.4040 10.6382 10.6475 10.7966 10.9076 11.0490 11.0803 11.2636 11.3110 11.3686 11.4585 11.5250 11.5786 11.7801 11.8854 11.9987 12.3446 12.6200 12.8034 12.8798 13.6052 13.6346 14.6303 14.7280 15.8780 15.9482 17.6970 17.8300 17.8383 17.9828 18.0430 18.0564 k = 0.3036 0.3036 0.3036 ( 3437 PWs) bands (ev): 4.6144 4.6150 6.4489 6.4991 6.5125 6.5956 6.7480 6.7764 7.4539 7.5452 7.6648 7.8240 8.3466 8.5111 8.7039 8.8068 8.8262 8.9210 8.9660 8.9915 9.1144 9.1468 9.2325 9.5089 9.5112 9.7101 9.7567 9.9594 9.9685 10.3427 10.3660 10.6465 10.6529 10.8172 10.8738 11.0239 11.0722 11.2551 11.2977 11.3522 11.4738 11.5225 11.5526 11.7847 11.8691 11.9745 12.2912 12.5593 12.7951 12.8793 13.5726 13.5895 14.5773 14.6657 15.7303 15.7997 17.8204 17.9359 17.9927 18.1562 18.1732 18.2104 k = 0.3125 0.3125 0.3125 ( 3443 PWs) bands (ev): 4.7168 4.7175 6.4481 6.4974 6.5121 6.5964 6.7320 6.7606 7.4436 7.5324 7.6434 7.8005 8.3428 8.5079 8.6921 8.8004 8.8054 8.9165 8.9602 8.9828 9.0997 9.1297 9.2100 9.4967 9.5109 9.7003 9.7687 9.9301 9.9768 10.3200 10.3328 10.6485 10.6579 10.8372 10.8470 10.9993 11.0681 11.2505 11.2856 11.3394 11.4931 11.5231 11.5283 11.7919 11.8529 11.9501 12.2346 12.4885 12.7960 12.8929 13.5423 13.5458 14.5229 14.6032 15.5835 15.6529 17.9412 18.0420 18.1501 18.3128 18.3335 18.3698 k = 0.3214 0.3214 0.3214 ( 3437 PWs) bands (ev): 4.8207 4.8214 6.4482 6.4966 6.5126 6.5978 6.7173 6.7457 7.4360 7.5220 7.6241 7.7792 8.3377 8.5026 8.6782 8.7725 8.8039 8.9121 8.9539 8.9728 9.0847 9.1133 9.1896 9.4807 9.5104 9.6884 9.7774 9.8995 9.9803 10.2687 10.3163 10.6229 10.6719 10.8386 10.8566 10.9776 11.0682 11.2492 11.2748 11.3303 11.5058 11.5150 11.5265 11.8012 11.8367 11.9255 12.1783 12.4156 12.8029 12.9126 13.5037 13.5140 14.4674 14.5408 15.4381 15.5084 18.0607 18.1485 18.3105 18.4601 18.5121 18.5325 k = 0.3304 0.3304 0.3304 ( 3452 PWs) bands (ev): 4.9260 4.9268 6.4491 6.4965 6.5137 6.5996 6.7038 6.7317 7.4313 7.5139 7.6072 7.7601 8.3311 8.4948 8.6620 8.7425 8.8023 8.9079 8.9474 8.9613 9.0701 9.0977 9.1712 9.4631 9.5074 9.6743 9.7814 9.8690 9.9784 10.2142 10.2927 10.5754 10.6884 10.8499 10.8752 10.9612 11.0722 11.2503 11.2656 11.3251 11.4854 11.5319 11.5382 11.8122 11.8206 11.9007 12.1246 12.3441 12.8138 12.9350 13.4634 13.4879 14.4111 14.4786 15.2946 15.3663 18.1798 18.2555 18.4730 18.6135 18.6898 18.6965 k = 0.3393 0.3393 0.3393 ( 3449 PWs) bands (ev): 5.0324 5.0332 6.4507 6.4971 6.5155 6.6015 6.6915 6.7184 7.4294 7.5083 7.5929 7.7432 8.3227 8.4841 8.6433 8.7104 8.8008 8.9040 8.9408 8.9486 9.0568 9.0831 9.1546 9.4439 9.5021 9.6580 9.7770 9.8421 9.9708 10.1577 10.2621 10.5142 10.7073 10.8735 10.8933 10.9515 11.0798 11.2534 11.2579 11.3235 11.4671 11.5390 11.5614 11.8046 11.8248 11.8757 12.0754 12.2758 12.8275 12.9587 13.4251 13.4639 14.3541 14.4168 15.1535 15.2270 18.2992 18.3635 18.6356 18.7709 18.8602 18.8651 k = 0.3482 0.3482 0.3482 ( 3437 PWs) bands (ev): 5.1397 5.1406 6.4531 6.4984 6.5177 6.6035 6.6804 6.7059 7.4304 7.5051 7.5813 7.7288 8.3122 8.4700 8.6218 8.6763 8.7996 8.9004 8.9345 8.9350 9.0454 9.0698 9.1394 9.4231 9.4946 9.6397 9.7593 9.8240 9.9575 10.1001 10.2246 10.4454 10.7287 10.9038 10.9109 10.9490 11.0905 11.2519 11.2580 11.3258 11.4508 11.5471 11.5837 11.7887 11.8386 11.8505 12.0321 12.2113 12.8430 12.9828 13.3890 13.4419 14.2967 14.3555 15.0151 15.0906 18.4192 18.4725 18.7956 18.9297 19.0221 19.0364 k = 0.3571 0.3571 0.3571 ( 3437 PWs) bands (ev): 5.2477 5.2487 6.4561 6.5004 6.5203 6.6054 6.6703 6.6941 7.4342 7.5044 7.5726 7.7169 8.2993 8.4522 8.5970 8.6400 8.7988 8.8974 8.9212 8.9287 9.0360 9.0580 9.1256 9.4008 9.4854 9.6197 9.7298 9.8132 9.9388 10.0422 10.1808 10.3727 10.7527 10.9285 10.9377 10.9532 11.1039 11.2476 11.2638 11.3317 11.4365 11.5559 11.6037 11.7729 11.8251 11.8536 11.9958 12.1511 12.8600 13.0072 13.3551 13.4219 14.2389 14.2948 14.8797 14.9575 18.5400 18.5827 18.9488 19.0861 19.1809 19.2029 k = 0.3661 0.3661 0.3661 ( 3425 PWs) bands (ev): 5.3561 5.3571 6.4598 6.5029 6.5232 6.6070 6.6613 6.6830 7.4408 7.5062 7.5669 7.7074 8.2838 8.4305 8.5688 8.6015 8.7986 8.8949 8.9077 8.9235 9.0285 9.0480 9.1129 9.3771 9.4749 9.5984 9.6951 9.8037 9.9155 9.9845 10.1319 10.2980 10.7792 10.9461 10.9631 10.9737 11.1195 11.2451 11.2703 11.3411 11.4240 11.5650 11.6203 11.7572 11.7996 11.8696 11.9678 12.0951 12.8782 13.0318 13.3237 13.4039 14.1811 14.2349 14.7477 14.8278 18.6619 18.6941 19.0901 19.2345 19.3357 19.3645 k = 0.3750 0.3750 0.3750 ( 3431 PWs) bands (ev): 5.4646 5.4656 6.4640 6.5059 6.5262 6.6081 6.6531 6.6725 7.4503 7.5105 7.5643 7.7004 8.2655 8.4050 8.5367 8.5607 8.7990 8.8933 8.8951 8.9193 9.0225 9.0398 9.1013 9.3522 9.4636 9.5762 9.6587 9.7926 9.8882 9.9276 10.0791 10.2227 10.8080 10.9641 10.9775 11.0107 11.1366 11.2443 11.2773 11.3538 11.4130 11.5740 11.6323 11.7416 11.7739 11.8864 11.9489 12.0435 12.8973 13.0564 13.2948 13.3877 14.1232 14.1758 14.6192 14.7017 18.7848 18.8067 19.2152 19.3682 19.4854 19.5207 k = 0.3839 0.3839 0.3839 ( 3440 PWs) bands (ev): 5.5727 5.5739 6.4688 6.5094 6.5292 6.6088 6.6458 6.6626 7.4625 7.5172 7.5646 7.6959 8.2445 8.3757 8.5006 8.5174 8.8001 8.8837 8.8925 8.9162 9.0178 9.0336 9.0909 9.3262 9.4520 9.5536 9.6223 9.7788 9.8576 9.8720 10.0239 10.1478 10.8388 10.9826 10.9951 11.0478 11.1547 11.2453 11.2845 11.3696 11.4035 11.5828 11.6388 11.7266 11.7484 11.9039 11.9395 11.9960 12.9175 13.0812 13.2686 13.3736 14.0656 14.1175 14.4947 14.5795 18.9088 18.9203 19.3234 19.4829 19.6295 19.6675 k = 0.3929 0.3929 0.3929 ( 3446 PWs) bands (ev): 5.6801 5.6814 6.4741 6.5133 6.5323 6.6089 6.6392 6.6531 7.4774 7.5265 7.5680 7.6937 8.2208 8.3431 8.4604 8.4715 8.8020 8.8735 8.8926 8.9144 9.0137 9.0293 9.0818 9.2994 9.4407 9.5312 9.5868 9.7624 9.8181 9.8243 9.9676 10.0741 10.8711 11.0017 11.0149 11.0843 11.1732 11.2481 11.2915 11.3880 11.3951 11.5912 11.6395 11.7129 11.7231 11.9220 11.9389 11.9524 12.9386 13.1062 13.2452 13.3615 14.0083 14.0602 14.3744 14.4614 19.0338 19.0349 19.4173 19.5802 19.7674 19.7964 k = 0.4018 0.4018 0.4018 ( 3440 PWs) bands (ev): 5.7862 5.7876 6.4798 6.5175 6.5353 6.6085 6.6332 6.6441 7.4951 7.5382 7.5743 7.6937 8.1944 8.3076 8.4161 8.4229 8.8046 8.8648 8.8939 8.9140 9.0099 9.0270 9.0741 9.2720 9.4301 9.5095 9.5532 9.7433 9.7664 9.7891 9.9113 10.0023 10.9045 11.0215 11.0361 11.1194 11.1912 11.2529 11.2982 11.3875 11.4085 11.5991 11.6351 11.6985 11.7010 11.9124 11.9404 11.9456 12.9607 13.1316 13.2247 13.3515 13.9515 14.0040 14.2587 14.3477 19.1502 19.1598 19.5011 19.6659 19.8989 19.9042 k = 0.4107 0.4107 0.4107 ( 3442 PWs) bands (ev): 5.8905 5.8920 6.4859 6.5220 6.5383 6.6075 6.6278 6.6354 7.5153 7.5524 7.5833 7.6958 8.1656 8.2695 8.3678 8.3715 8.8078 8.8574 8.8963 8.9152 9.0059 9.0263 9.0678 9.2443 9.4208 9.4890 9.5223 9.7173 9.7220 9.7524 9.8563 9.9331 10.9383 11.0420 11.0580 11.1521 11.2078 11.2599 11.3043 11.3805 11.4307 11.6064 11.6270 11.6749 11.6914 11.8757 11.9578 11.9591 12.9839 13.1575 13.2074 13.3439 13.8955 13.9490 14.1479 14.2386 19.2660 19.2866 19.5786 19.7451 19.9966 20.0238 k = 0.4196 0.4196 0.4196 ( 3448 PWs) bands (ev): 5.9922 5.9938 6.4923 6.5267 6.5412 6.6060 6.6228 6.6271 7.5382 7.5689 7.5949 7.6998 8.1347 8.2294 8.3158 8.3176 8.8116 8.8513 8.8998 8.9179 9.0016 9.0270 9.0627 9.2165 9.4131 9.4703 9.4948 9.6714 9.6988 9.7147 9.8033 9.8671 10.9724 11.0629 11.0802 11.1815 11.2220 11.2693 11.3095 11.3740 11.4540 11.6130 11.6173 11.6528 11.6835 11.8417 11.9734 11.9778 13.0082 13.1841 13.1935 13.3387 13.8403 13.8951 14.0424 14.1345 19.3818 19.4139 19.6522 19.8212 20.0791 20.1421 k = 0.4286 0.4286 0.4286 ( 3442 PWs) bands (ev): 6.0903 6.0921 6.4990 6.5315 6.5439 6.6041 6.6181 6.6189 7.5635 7.5879 7.6090 7.7056 8.1020 8.1878 8.2608 8.2614 8.8158 8.8465 8.9047 8.9222 8.9970 9.0284 9.0582 9.1888 9.4075 9.4540 9.4715 9.6291 9.6741 9.6768 9.7532 9.8047 11.0061 11.0842 11.1022 11.2066 11.2335 11.2810 11.3136 11.3676 11.4776 11.6080 11.6187 11.6329 11.6769 11.8103 11.9911 11.9962 13.0336 13.1830 13.2115 13.3365 13.7863 13.8426 13.9427 14.0356 19.4972 19.5416 19.7238 19.8960 20.1547 20.2537 k = 0.4375 0.4375 0.4375 ( 3442 PWs) bands (ev): 6.1838 6.1857 6.5059 6.5364 6.5466 6.6019 6.6110 6.6138 7.5911 7.6091 7.6254 7.7132 8.0680 8.1449 8.2033 8.2036 8.8203 8.8429 8.9109 8.9281 8.9925 9.0300 9.0536 9.1616 9.4042 9.4406 9.4532 9.5908 9.6395 9.6484 9.7063 9.7464 11.0393 11.1056 11.1237 11.2267 11.2424 11.2937 11.3158 11.3613 11.5011 11.6008 11.6158 11.6236 11.6710 11.7810 12.0096 12.0143 13.0601 13.1762 13.2399 13.3375 13.7337 13.7914 13.8493 13.9424 19.6113 19.6693 19.7940 19.9705 20.2243 20.3580 k = 0.4464 0.4464 0.4464 ( 3436 PWs) bands (ev): 6.2712 6.2734 6.5130 6.5412 6.5491 6.5996 6.6033 6.6096 7.6211 7.6325 7.6441 7.7226 8.0329 8.1013 8.1443 8.1449 8.8247 8.8403 8.9187 8.9355 8.9885 9.0311 9.0483 9.1350 9.4036 9.4307 9.4405 9.5572 9.6037 9.6221 9.6628 9.6925 11.0717 11.1271 11.1444 11.2413 11.2494 11.3058 11.3156 11.3549 11.5237 11.5966 11.6024 11.6275 11.6655 11.7535 12.0279 12.0315 13.0875 13.1734 13.2694 13.3421 13.6830 13.7416 13.7630 13.8552 19.7232 19.7964 19.8632 20.0453 20.2878 20.4537 k = 0.4554 0.4554 0.4554 ( 3445 PWs) bands (ev): 6.3509 6.3533 6.5203 6.5458 6.5516 6.5956 6.5973 6.6057 7.6532 7.6580 7.6650 7.7339 7.9972 8.0573 8.0849 8.0862 8.8289 8.8388 8.9279 8.9442 8.9856 9.0309 9.0418 9.1092 9.4059 9.4250 9.4336 9.5286 9.5704 9.5957 9.6227 9.6434 11.1030 11.1483 11.1641 11.2505 11.2546 11.3121 11.3160 11.3485 11.5450 11.5934 11.5960 11.6302 11.6600 11.7277 12.0450 12.0475 13.1153 13.1744 13.3002 13.3508 13.6345 13.6846 13.6934 13.7743 19.8314 19.9225 19.9312 20.1205 20.3444 20.5375 k = 0.4643 0.4643 0.4643 ( 3460 PWs) bands (ev): 6.4208 6.4234 6.5277 6.5502 6.5539 6.5880 6.5954 6.6021 7.6855 7.6873 7.6883 7.7476 7.9612 8.0131 8.0263 8.0290 8.8325 8.8380 8.9388 8.9541 8.9843 9.0289 9.0341 9.0845 9.4114 9.4239 9.4325 9.5056 9.5409 9.5695 9.5858 9.5992 11.1331 11.1689 11.1824 11.2551 11.2580 11.3046 11.3235 11.3424 11.5646 11.5895 11.5987 11.6317 11.6543 11.7033 12.0603 12.0617 13.1429 13.1794 13.3323 13.3643 13.5890 13.6153 13.6467 13.7002 19.9334 19.9973 20.0466 20.1958 20.3927 20.6024 k = 0.4732 0.4732 0.4732 ( 3448 PWs) bands (ev): 6.4784 6.4813 6.5352 6.5540 6.5561 6.5804 6.5943 6.5990 7.7143 7.7147 7.7233 7.7642 7.9256 7.9691 7.9698 7.9744 8.8355 8.8379 8.9514 8.9648 8.9848 9.0246 9.0254 9.0610 9.4201 9.4277 9.4369 9.4885 9.5159 9.5441 9.5521 9.5601 11.1619 11.1887 11.1992 11.2555 11.2587 11.2931 11.3281 11.3370 11.5821 11.5909 11.6038 11.6318 11.6480 11.6805 12.0731 12.0737 13.1689 13.1876 13.3659 13.3831 13.5477 13.5570 13.6016 13.6332 20.0257 20.0599 20.1676 20.2711 20.4306 20.6073 k = 0.4821 0.4821 0.4821 ( 3448 PWs) bands (ev): 6.5211 6.5242 6.5427 6.5569 6.5579 6.5729 6.5946 6.5969 7.7434 7.7454 7.7611 7.7847 7.8907 7.9172 7.9240 7.9256 8.8374 8.8382 8.9656 8.9762 8.9875 9.0162 9.0179 9.0388 9.4324 9.4364 9.4464 9.4776 9.4961 9.5199 9.5219 9.5259 11.1891 11.2072 11.2142 11.2526 11.2559 11.2779 11.3302 11.3331 11.5973 11.5976 11.6102 11.6303 11.6408 11.6593 12.0827 12.0829 13.1911 13.1978 13.4011 13.4076 13.5121 13.5127 13.5581 13.5735 20.1026 20.1153 20.2838 20.3458 20.4570 20.5591 k = 0.4911 0.4911 0.4911 ( 3448 PWs) bands (ev): 6.5471 6.5493 6.5502 6.5585 6.5591 6.5653 6.5962 6.5966 7.7747 7.7762 7.8004 7.8099 7.8583 7.8705 7.8791 7.8829 8.8385 8.8386 8.9815 8.9878 8.9923 9.0072 9.0093 9.0181 9.4480 9.4495 9.4600 9.4733 9.4821 9.4958 9.4971 9.4975 11.2146 11.2239 11.2272 11.2467 11.2490 11.2594 11.3306 11.3310 11.6081 11.6110 11.6167 11.6272 11.6324 11.6398 12.0886 12.0886 13.2062 13.2071 13.4379 13.4386 13.4843 13.4873 13.5164 13.5212 20.1550 20.1569 20.3927 20.4192 20.4740 20.5182 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): 6.5578 6.5578 6.5578 6.5578 6.5578 6.5578 6.5973 6.5973 7.7960 7.7960 7.8410 7.8410 7.8410 7.8410 7.8410 7.8410 8.8388 8.8388 8.9990 8.9990 8.9990 8.9990 8.9990 8.9990 9.4607 9.4607 9.4773 9.4773 9.4773 9.4773 9.4773 9.4773 11.2382 11.2382 11.2382 11.2382 11.2382 11.2382 11.3305 11.3305 11.6226 11.6226 11.6226 11.6226 11.6226 11.6226 12.0906 12.0906 13.2113 13.2113 13.4763 13.4763 13.4763 13.4763 13.4763 13.4763 20.1736 20.1736 20.4906 20.4906 20.4906 20.4906 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): 6.5578 6.5578 6.5578 6.5578 6.5578 6.5578 6.5973 6.5973 7.7960 7.7960 7.8410 7.8410 7.8410 7.8410 7.8410 7.8410 8.8388 8.8388 8.9990 8.9990 8.9990 8.9990 8.9990 8.9990 9.4607 9.4607 9.4773 9.4773 9.4773 9.4773 9.4773 9.4773 11.2382 11.2382 11.2382 11.2382 11.2382 11.2382 11.3305 11.3305 11.6226 11.6226 11.6226 11.6226 11.6226 11.6226 12.0906 12.0906 13.2113 13.2113 13.4763 13.4763 13.4763 13.4763 13.4763 13.4763 20.1736 20.1736 20.4906 20.4906 20.4906 20.4906 k = 0.4891 0.5000 0.4891 ( 3448 PWs) bands (ev): 6.5486 6.5486 6.5530 6.5530 6.5633 6.5633 6.5964 6.5964 7.7756 7.7756 7.8051 7.8051 7.8640 7.8640 7.8812 7.8812 8.8386 8.8386 8.9836 8.9836 8.9992 8.9992 9.0153 9.0153 9.4488 9.4488 9.4651 9.4651 9.4898 9.4898 9.4977 9.4977 11.2176 11.2176 11.2366 11.2366 11.2562 11.2562 11.3308 11.3308 11.6091 11.6091 11.6216 11.6216 11.6370 11.6370 12.0886 12.0886 13.2067 13.2067 13.4384 13.4384 13.4857 13.4857 13.5185 13.5185 20.1562 20.1562 20.4038 20.4038 20.4972 20.4972 k = 0.4783 0.5000 0.4783 ( 3448 PWs) bands (ev): 6.5313 6.5313 6.5384 6.5384 6.5684 6.5684 6.5956 6.5956 7.7446 7.7446 7.7733 7.7733 7.9027 7.9027 7.9252 7.9252 8.8378 8.8378 8.9691 8.9691 8.9998 8.9998 9.0322 9.0322 9.4338 9.4338 9.4597 9.4597 9.5103 9.5103 9.5241 9.5241 11.1952 11.1952 11.2322 11.2322 11.2713 11.2713 11.3316 11.3316 11.5968 11.5968 11.6189 11.6189 11.6520 11.6520 12.0828 12.0828 13.1948 13.1948 13.4046 13.4046 13.5119 13.5119 13.5653 13.5653 20.1095 20.1095 20.3088 20.3088 20.5114 20.5114 k = 0.4674 0.5000 0.4674 ( 3448 PWs) bands (ev): 6.5039 6.5039 6.5130 6.5130 6.5746 6.5746 6.5981 6.5981 7.7147 7.7147 7.7456 7.7456 7.9451 7.9451 7.9722 7.9722 8.8367 8.8367 8.9558 8.9558 9.0008 9.0008 9.0493 9.0493 9.4221 9.4221 9.4604 9.4604 9.5348 9.5348 9.5546 9.5546 11.1711 11.1711 11.2252 11.2252 11.2826 11.2826 11.3325 11.3325 11.5859 11.5859 11.6150 11.6150 11.6677 11.6677 12.0735 12.0735 13.1790 13.1790 13.3748 13.3748 13.5512 13.5512 13.6167 13.6167 20.0431 20.0431 20.2080 20.2080 20.5231 20.5231 k = 0.4565 0.5000 0.4565 ( 3454 PWs) bands (ev): 6.4669 6.4669 6.4770 6.4770 6.5824 6.5824 6.6042 6.6042 7.6870 7.6870 7.7213 7.7213 7.9894 7.9894 8.0214 8.0214 8.8352 8.8352 8.9437 8.9437 9.0024 9.0024 9.0663 9.0663 9.4145 9.4145 9.4673 9.4673 9.5626 9.5626 9.5888 9.5888 11.1458 11.1458 11.2162 11.2162 11.2893 11.2893 11.3332 11.3332 11.5762 11.5762 11.6110 11.6110 11.6839 11.6839 12.0610 12.0610 13.1623 13.1623 13.3487 13.3487 13.6002 13.6002 13.6727 13.6727 19.9641 19.9641 20.1033 20.1033 20.5245 20.5245 k = 0.4457 0.5000 0.4457 ( 3450 PWs) bands (ev): 6.4216 6.4216 6.4321 6.4321 6.5921 6.5921 6.6134 6.6134 7.6618 7.6618 7.7000 7.7000 8.0344 8.0344 8.0719 8.0719 8.8335 8.8335 8.9328 8.9328 9.0044 9.0044 9.0828 9.0828 9.4114 9.4114 9.4803 9.4803 9.5932 9.5932 9.6266 9.6266 11.1193 11.1193 11.2054 11.2054 11.2909 11.2909 11.3335 11.3335 11.5669 11.5669 11.6087 11.6087 11.7007 11.7007 12.0459 12.0459 13.1466 13.1466 13.3259 13.3259 13.6566 13.6566 13.7334 13.7334 19.8767 19.8767 19.9958 19.9958 20.5107 20.5107 k = 0.4348 0.5000 0.4348 ( 3454 PWs) bands (ev): 6.3692 6.3692 6.3797 6.3797 6.6036 6.6036 6.6253 6.6253 7.6388 7.6388 7.6812 7.6812 8.0794 8.0794 8.1227 8.1227 8.8318 8.8318 8.9233 8.9233 9.0070 9.0070 9.0983 9.0983 9.4131 9.4131 9.4992 9.4992 9.6260 9.6260 9.6680 9.6680 11.0918 11.0918 11.1931 11.1931 11.2871 11.2871 11.3330 11.3330 11.5571 11.5571 11.6096 11.6096 11.7181 11.7181 12.0289 12.0289 13.1324 13.1324 13.3062 13.3062 13.7190 13.7190 13.7986 13.7986 19.7831 19.7831 19.8866 19.8866 20.4773 20.4773 k = 0.4239 0.5000 0.4239 ( 3442 PWs) bands (ev): 6.3110 6.3110 6.3213 6.3213 6.6170 6.6170 6.6395 6.6395 7.6178 7.6178 7.6645 7.6645 8.1235 8.1235 8.1731 8.1731 8.8302 8.8302 8.9154 8.9154 9.0102 9.0102 9.1124 9.1124 9.4194 9.4194 9.5236 9.5236 9.6606 9.6606 9.7128 9.7128 11.0635 11.0635 11.1796 11.1796 11.2788 11.2788 11.3314 11.3314 11.5461 11.5461 11.6144 11.6144 11.7365 11.7365 12.0106 12.0106 13.1203 13.1203 13.2894 13.2894 13.7865 13.7865 13.8682 13.8682 19.6848 19.6848 19.7763 19.7763 20.4209 20.4209 k = 0.4130 0.5000 0.4130 ( 3446 PWs) bands (ev): 6.2482 6.2482 6.2582 6.2582 6.6324 6.6324 6.6559 6.6559 7.5986 7.5986 7.6495 7.6495 8.1660 8.1660 8.2223 8.2223 8.8290 8.8290 8.9092 8.9092 9.0141 9.0141 9.1252 9.1252 9.4302 9.4302 9.5530 9.5530 9.6965 9.6965 9.7607 9.7607 11.0345 11.0345 11.1650 11.1650 11.2669 11.2669 11.3283 11.3283 11.5342 11.5342 11.6229 11.6229 11.7559 11.7559 11.9919 11.9919 13.1101 13.1101 13.2750 13.2750 13.8586 13.8586 13.9421 13.9421 19.5826 19.5826 19.6656 19.6656 20.3411 20.3411 k = 0.4022 0.5000 0.4022 ( 3442 PWs) bands (ev): 6.1817 6.1817 6.1914 6.1914 6.6496 6.6496 6.6742 6.6742 7.5809 7.5809 7.6360 7.6360 8.2063 8.2063 8.2697 8.2697 8.8283 8.8283 8.9049 8.9049 9.0188 9.0188 9.1366 9.1366 9.4449 9.4449 9.5868 9.5868 9.7334 9.7334 9.8116 9.8116 11.0050 11.0050 11.1491 11.1491 11.2528 11.2528 11.3237 11.3237 11.5218 11.5218 11.6338 11.6338 11.7764 11.7764 11.9736 11.9736 13.1017 13.1017 13.2629 13.2629 13.9347 13.9347 14.0201 14.0201 19.4768 19.4768 19.5551 19.5551 20.2399 20.2399 k = 0.3913 0.5000 0.3913 ( 3426 PWs) bands (ev): 6.1126 6.1126 6.1219 6.1219 6.6685 6.6685 6.6943 6.6943 7.5647 7.5647 7.6239 7.6239 8.2438 8.2438 8.3146 8.3146 8.8282 8.8282 8.9028 8.9028 9.0243 9.0243 9.1470 9.1470 9.4631 9.4631 9.6241 9.6241 9.7710 9.7710 9.8648 9.8648 10.9752 10.9752 11.1320 11.1320 11.2379 11.2379 11.3174 11.3174 11.5096 11.5096 11.6462 11.6462 11.7982 11.7982 11.9567 11.9567 13.0950 13.0950 13.2528 13.2528 14.0146 14.0146 14.1021 14.1021 19.3677 19.3677 19.4451 19.4451 20.1199 20.1199 k = 0.3804 0.5000 0.3804 ( 3426 PWs) bands (ev): 6.0414 6.0414 6.0504 6.0504 6.6890 6.6890 6.7160 6.7160 7.5499 7.5499 7.6131 7.6131 8.2783 8.2783 8.3566 8.3566 8.8288 8.8288 8.9032 8.9032 9.0307 9.0307 9.1565 9.1565 9.4838 9.4838 9.6640 9.6640 9.8090 9.8090 9.9200 9.9200 10.9452 10.9452 11.1136 11.1136 11.2232 11.2232 11.3098 11.3098 11.4979 11.4979 11.6589 11.6589 11.8208 11.8208 11.9425 11.9425 13.0896 13.0896 13.2445 13.2445 14.0981 14.0981 14.1877 14.1877 19.2552 19.2552 19.3358 19.3358 19.9840 19.9840 k = 0.3696 0.5000 0.3696 ( 3430 PWs) bands (ev): 5.9690 5.9690 5.9776 5.9776 6.7111 6.7111 6.7392 6.7392 7.5364 7.5364 7.6035 7.6035 8.3095 8.3095 8.3953 8.3953 8.8302 8.8302 8.9061 8.9061 9.0382 9.0382 9.1654 9.1654 9.5065 9.5065 9.7055 9.7055 9.8473 9.8473 9.9766 9.9766 10.9152 10.9152 11.0941 11.0941 11.2097 11.2097 11.3011 11.3011 11.4870 11.4870 11.6706 11.6706 11.8435 11.8435 11.9333 11.9333 13.0854 13.0854 13.2377 13.2377 14.1850 14.1850 14.2769 14.2769 19.1395 19.1395 19.2271 19.2271 19.8356 19.8356 k = 0.3587 0.5000 0.3587 ( 3432 PWs) bands (ev): 5.8958 5.8958 5.9041 5.9041 6.7345 6.7345 6.7636 6.7636 7.5243 7.5243 7.5953 7.5953 8.3373 8.3373 8.4306 8.4306 8.8324 8.8324 8.9117 8.9117 9.0469 9.0469 9.1740 9.1740 9.5305 9.5305 9.7474 9.7474 9.8854 9.8854 10.0338 10.0338 10.8856 10.8856 11.0737 11.0737 11.1979 11.1979 11.2920 11.2920 11.4772 11.4772 11.6800 11.6800 11.8636 11.8636 11.9328 11.9328 13.0820 13.0820 13.2323 13.2323 14.2752 14.2752 14.3695 14.3695 19.0206 19.0206 19.1188 19.1188 19.6781 19.6781 k = 0.3478 0.5000 0.3478 ( 3432 PWs) bands (ev): 5.8224 5.8224 5.8304 5.8304 6.7590 6.7590 6.7891 6.7891 7.5138 7.5138 7.5886 7.5886 8.3619 8.3619 8.4621 8.4621 8.8354 8.8354 8.9196 8.9196 9.0570 9.0570 9.1824 9.1824 9.5551 9.5551 9.7886 9.7886 9.9234 9.9234 10.0911 10.0911 10.8568 10.8568 11.0530 11.0530 11.1879 11.1879 11.2830 11.2830 11.4687 11.4687 11.6860 11.6860 11.8783 11.8783 11.9455 11.9455 13.0792 13.0792 13.2282 13.2282 14.3687 14.3687 14.4653 14.4653 18.8985 18.8985 19.0103 19.0103 19.5147 19.5147 k = 0.3370 0.5000 0.3370 ( 3432 PWs) bands (ev): 5.7491 5.7491 5.7568 5.7568 6.7844 6.7844 6.8154 6.8154 7.5048 7.5048 7.5834 7.5834 8.3833 8.3833 8.4901 8.4901 8.8394 8.8394 8.9294 8.9294 9.0686 9.0686 9.1907 9.1907 9.5799 9.5799 9.8280 9.8280 9.9611 9.9611 10.1475 10.1475 10.8290 10.8290 11.0326 11.0326 11.1796 11.1796 11.2750 11.2750 11.4614 11.4614 11.6876 11.6876 11.8894 11.8894 11.9702 11.9702 13.0768 13.0768 13.2250 13.2250 14.4652 14.4652 14.5642 14.5642 18.7728 18.7728 18.9010 18.9010 19.3485 19.3485 k = 0.3261 0.5000 0.3261 ( 3436 PWs) bands (ev): 5.6763 5.6763 5.6836 5.6836 6.8105 6.8105 6.8422 6.8422 7.4975 7.4975 7.5800 7.5800 8.4020 8.4020 8.5146 8.5146 8.8442 8.8442 8.9407 8.9407 9.0819 9.0819 9.1987 9.1987 9.6044 9.6044 9.8645 9.8645 9.9983 9.9983 10.2023 10.2023 10.8027 10.8027 11.0131 11.0131 11.1724 11.1724 11.2690 11.2690 11.4556 11.4556 11.6848 11.6848 11.9021 11.9021 12.0024 12.0024 13.0746 13.0746 13.2228 13.2228 14.5648 14.5648 14.6660 14.6660 18.6434 18.6434 18.7898 18.7898 19.1826 19.1826 k = 0.3152 0.5000 0.3152 ( 3436 PWs) bands (ev): 5.6042 5.6042 5.6113 5.6113 6.8370 6.8370 6.8693 6.8693 7.4922 7.4922 7.5786 7.5786 8.4183 8.4183 8.5359 8.5359 8.8499 8.8499 8.9528 8.9528 9.0970 9.0970 9.2066 9.2066 9.6284 9.6284 9.8971 9.8971 10.0350 10.0350 10.2545 10.2545 10.7784 10.7784 10.9952 10.9952 11.1660 11.1660 11.2658 11.2658 11.4513 11.4513 11.6782 11.6782 11.9185 11.9185 12.0390 12.0390 13.0724 13.0724 13.2214 13.2214 14.6674 14.6674 14.7706 14.7706 18.5100 18.5100 18.6753 18.6753 19.0200 19.0200 k = 0.3043 0.5000 0.3043 ( 3440 PWs) bands (ev): 5.5332 5.5332 5.5401 5.5401 6.8635 6.8635 6.8964 6.8964 7.4890 7.4890 7.5793 7.5793 8.4325 8.4325 8.5544 8.5544 8.8563 8.8563 8.9651 8.9651 9.1138 9.1138 9.2142 9.2142 9.6514 9.6514 9.9250 9.9250 10.0710 10.0710 10.3032 10.3032 10.7567 10.7567 10.9793 10.9793 11.1598 11.1598 11.2662 11.2662 11.4486 11.4486 11.6692 11.6692 11.9391 11.9391 12.0788 12.0788 13.0700 13.0700 13.2206 13.2206 14.7728 14.7728 14.8779 14.8779 18.3724 18.3724 18.5553 18.5553 18.8642 18.8642 k = 0.2935 0.5000 0.2935 ( 3440 PWs) bands (ev): 5.4635 5.4635 5.4701 5.4701 6.8896 6.8896 6.9230 6.9230 7.4881 7.4881 7.5824 7.5824 8.4452 8.4452 8.5706 8.5706 8.8632 8.8632 8.9773 8.9773 9.1319 9.1319 9.2215 9.2215 9.6734 9.6734 9.9477 9.9477 10.1059 10.1059 10.3475 10.3475 10.7382 10.7382 10.9659 10.9659 11.1536 11.1536 11.2705 11.2705 11.4477 11.4477 11.6588 11.6588 11.9633 11.9633 12.1213 12.1213 13.0672 13.0672 13.2204 13.2204 14.8810 14.8810 14.9877 14.9877 18.2310 18.2310 18.4273 18.4273 18.7188 18.7188 k = 0.2826 0.5000 0.2826 ( 3436 PWs) bands (ev): 5.3952 5.3952 5.4016 5.4016 6.9151 6.9151 6.9490 6.9490 7.4897 7.4897 7.5880 7.5880 8.4566 8.4566 8.5850 8.5850 8.8705 8.8705 8.9889 8.9889 9.1506 9.1506 9.2287 9.2287 9.6940 9.6940 9.9652 9.9652 10.1393 10.1393 10.3864 10.3864 10.7235 10.7235 10.9551 10.9551 11.1475 11.1475 11.2785 11.2785 11.4484 11.4484 11.6485 11.6485 11.9906 11.9906 12.1661 12.1661 13.0639 13.0639 13.2206 13.2206 14.9916 14.9916 15.0998 15.0998 18.0861 18.0861 18.2902 18.2902 18.5860 18.5860 k = 0.2717 0.5000 0.2717 ( 3432 PWs) bands (ev): 5.3286 5.3286 5.3347 5.3347 6.9395 6.9395 6.9740 6.9740 7.4940 7.4940 7.5964 7.5964 8.4672 8.4672 8.5978 8.5978 8.8781 8.8781 9.0001 9.0001 9.1691 9.1691 9.2363 9.2363 9.7131 9.7131 9.9777 9.9777 10.1709 10.1709 10.4193 10.4193 10.7133 10.7133 10.9468 10.9468 11.1417 11.1417 11.2899 11.2899 11.4505 11.4505 11.6393 11.6393 12.0205 12.0205 12.2129 12.2129 13.0599 13.0599 13.2210 13.2210 15.1045 15.1045 15.2139 15.2139 17.9388 17.9388 18.1452 18.1452 18.4657 18.4657 k = 0.2609 0.5000 0.2609 ( 3432 PWs) bands (ev): 5.2637 5.2637 5.2697 5.2697 6.9623 6.9623 6.9977 6.9977 7.5012 7.5012 7.6076 7.6076 8.4773 8.4773 8.6096 8.6096 8.8857 8.8857 9.0105 9.0105 9.1856 9.1856 9.2452 9.2452 9.7307 9.7307 9.9856 9.9856 10.2001 10.2001 10.4457 10.4457 10.7082 10.7082 10.9408 10.9408 11.1367 11.1367 11.3040 11.3040 11.4532 11.4532 11.6327 11.6327 12.0529 12.0529 12.2615 12.2615 13.0551 13.0551 13.2217 13.2217 15.2192 15.2192 15.3295 15.3295 17.7904 17.7904 17.9955 17.9955 18.3557 18.3557 k = 0.2500 0.5000 0.2500 ( 3420 PWs) bands (ev): 5.2008 5.2008 5.2065 5.2065 6.9835 6.9835 7.0200 7.0200 7.5113 7.5113 7.6217 7.6217 8.4873 8.4873 8.6207 8.6207 8.8933 8.8933 9.0204 9.0204 9.1984 9.1984 9.2565 9.2565 9.7465 9.7465 9.9895 9.9895 10.2263 10.2263 10.4662 10.4662 10.7081 10.7081 10.9365 10.9365 11.1328 11.1328 11.3201 11.3201 11.4559 11.4559 11.6298 11.6298 12.0874 12.0874 12.3117 12.3117 13.0495 13.0495 13.2223 13.2223 15.3353 15.3353 15.4462 15.4462 17.6422 17.6422 17.8448 17.8448 18.2537 18.2537 k = 0.2391 0.5000 0.2391 ( 3440 PWs) bands (ev): 5.1399 5.1399 5.1454 5.1454 7.0026 7.0026 7.0405 7.0405 7.5243 7.5243 7.6386 7.6386 8.4973 8.4973 8.6314 8.6314 8.9006 8.9006 9.0297 9.0297 9.2065 9.2065 9.2709 9.2709 9.7607 9.7607 9.9902 9.9902 10.2491 10.2491 10.4818 10.4818 10.7124 10.7124 10.9335 10.9335 11.1304 11.1304 11.3372 11.3372 11.4577 11.4577 11.6319 11.6319 12.1237 12.1237 12.3632 12.3632 13.0430 13.0430 13.2229 13.2229 15.4518 15.4518 15.5630 15.5630 17.4960 17.4960 17.6961 17.6961 18.1582 18.1582 k = 0.2283 0.5000 0.2283 ( 3444 PWs) bands (ev): 5.0811 5.0811 5.0865 5.0865 7.0197 7.0197 7.0592 7.0592 7.5402 7.5402 7.6580 7.6580 8.5076 8.5076 8.6420 8.6420 8.9077 8.9077 9.0385 9.0385 9.2105 9.2105 9.2872 9.2872 9.7730 9.7730 9.9885 9.9885 10.2681 10.2681 10.4944 10.4944 10.7199 10.7199 10.9313 10.9313 11.1297 11.1297 11.3542 11.3542 11.4588 11.4588 11.6395 11.6395 12.1617 12.1617 12.4156 12.4156 13.0355 13.0355 13.2232 13.2232 15.5676 15.5676 15.6786 15.6786 17.3537 17.3537 17.5524 17.5524 18.0681 18.0681 k = 0.2174 0.5000 0.2174 ( 3446 PWs) bands (ev): 5.0246 5.0246 5.0298 5.0298 7.0347 7.0347 7.0761 7.0761 7.5587 7.5587 7.6798 7.6798 8.5183 8.5183 8.6525 8.6525 8.9145 8.9145 9.0467 9.0467 9.2114 9.2114 9.3040 9.3040 9.7834 9.7834 9.9854 9.9854 10.2830 10.2830 10.5058 10.5058 10.7289 10.7289 10.9297 10.9297 11.1308 11.1308 11.3692 11.3692 11.4604 11.4604 11.6522 11.6522 12.2012 12.2012 12.4686 12.4686 13.0272 13.0272 13.2231 13.2231 15.6809 15.6809 15.7911 15.7911 17.2174 17.2174 17.4166 17.4166 17.9833 17.9833 k = 0.2065 0.5000 0.2065 ( 3448 PWs) bands (ev): 4.9705 4.9705 4.9754 4.9754 7.0477 7.0477 7.0911 7.0911 7.5795 7.5795 7.7035 7.7035 8.5298 8.5298 8.6633 8.6633 8.9209 8.9209 9.0542 9.0542 9.2103 9.2103 9.3202 9.3202 9.7920 9.7920 9.9817 9.9817 10.2940 10.2940 10.5174 10.5174 10.7379 10.7379 10.9289 10.9289 11.1336 11.1336 11.3798 11.3798 11.4651 11.4651 11.6690 11.6690 12.2419 12.2419 12.5217 12.5217 13.0183 13.0183 13.2225 13.2225 15.7888 15.7888 15.8974 15.8974 17.0900 17.0900 17.2923 17.2923 17.9041 17.9041 k = 0.1957 0.5000 0.1957 ( 3448 PWs) bands (ev): 4.9187 4.9187 4.9234 4.9234 7.0590 7.0590 7.1045 7.1045 7.6020 7.6020 7.7286 7.7286 8.5420 8.5420 8.6745 8.6745 8.9269 8.9269 9.0611 9.0611 9.2077 9.2077 9.3350 9.3350 9.7987 9.7987 9.9780 9.9780 10.3017 10.3017 10.5297 10.5297 10.7455 10.7455 10.9296 10.9296 11.1381 11.1381 11.3845 11.3845 11.4749 11.4749 11.6886 11.6886 12.2834 12.2834 12.5743 12.5743 13.0090 13.0090 13.2215 13.2215 15.8865 15.8865 15.9929 15.9929 16.9755 16.9755 17.1845 17.1845 17.8312 17.8312 k = 0.1848 0.5000 0.1848 ( 3442 PWs) bands (ev): 4.8694 4.8694 4.8739 4.8739 7.0687 7.0687 7.1162 7.1162 7.6259 7.6259 7.7548 7.7548 8.5550 8.5550 8.6860 8.6860 8.9325 8.9325 9.0672 9.0672 9.2042 9.2042 9.3482 9.3482 9.8035 9.8035 9.9751 9.9751 10.3070 10.3070 10.5427 10.5427 10.7505 10.7505 10.9321 10.9321 11.1439 11.1439 11.3843 11.3843 11.4895 11.4895 11.7100 11.7100 12.3255 12.3255 12.6254 12.6254 13.0001 13.0001 13.2199 13.2199 15.9662 15.9662 16.0710 16.0710 16.8795 16.8795 17.1001 17.1001 17.7660 17.7660 k = 0.1739 0.5000 0.1739 ( 3458 PWs) bands (ev): 4.8227 4.8227 4.8269 4.8269 7.0770 7.0770 7.1266 7.1266 7.6506 7.6506 7.7813 7.7813 8.5689 8.5689 8.6981 8.6981 8.9376 8.9376 9.0723 9.0723 9.2002 9.2002 9.3594 9.3594 9.8064 9.8064 9.9734 9.9734 10.3106 10.3106 10.5561 10.5561 10.7522 10.7522 10.9371 10.9371 11.1508 11.1508 11.3815 11.3815 11.5068 11.5068 11.7319 11.7319 12.3678 12.3678 12.6735 12.6735 12.9925 12.9925 13.2181 13.2181 16.0169 16.0169 16.1240 16.1240 16.8094 16.8094 17.0474 17.0474 17.7107 17.7107 k = 0.1630 0.5000 0.1630 ( 3458 PWs) bands (ev): 4.7785 4.7785 4.7825 4.7825 7.0842 7.0842 7.1357 7.1357 7.6756 7.6756 7.8078 7.8078 8.5838 8.5838 8.7109 8.7109 8.9423 8.9423 9.0762 9.0762 9.1961 9.1961 9.3687 9.3687 9.8075 9.8075 9.9732 9.9732 10.3136 10.3136 10.5693 10.5693 10.7504 10.7504 10.9443 10.9443 11.1586 11.1586 11.3783 11.3783 11.5252 11.5252 11.7536 11.7536 12.4096 12.4096 12.7164 12.7164 12.9880 12.9880 13.2162 13.2162 16.0288 16.0288 16.1446 16.1446 16.7719 16.7719 17.0312 17.0312 17.6685 17.6685 k = 0.1522 0.5000 0.1522 ( 3446 PWs) bands (ev): 4.7370 4.7370 4.7408 4.7408 7.0904 7.0904 7.1438 7.1438 7.7004 7.7004 7.8338 7.8338 8.5994 8.5994 8.7242 8.7242 8.9466 8.9466 9.0788 9.0788 9.1922 9.1922 9.3762 9.3762 9.8070 9.8070 9.9746 9.9746 10.3167 10.3167 10.5817 10.5817 10.7454 10.7454 10.9533 10.9533 11.1671 11.1671 11.3760 11.3760 11.5439 11.5439 11.7744 11.7744 12.4504 12.4504 12.7511 12.7511 12.9894 12.9894 13.2149 13.2149 16.0027 16.0027 16.1301 16.1301 16.7658 16.7658 17.0458 17.0458 17.6439 17.6439 k = 0.1413 0.5000 0.1413 ( 3444 PWs) bands (ev): 4.6982 4.6982 4.7017 4.7017 7.0958 7.0958 7.1510 7.1510 7.7245 7.7245 7.8588 7.8588 8.6157 8.6157 8.7382 8.7382 8.9504 8.9504 9.0798 9.0798 9.1888 9.1888 9.3822 9.3822 9.8050 9.8050 9.9774 9.9774 10.3204 10.3204 10.5927 10.5927 10.7381 10.7381 10.9631 10.9631 11.1763 11.1763 11.3756 11.3756 11.5622 11.5622 11.7938 11.7938 12.4893 12.4893 12.7741 12.7741 12.9990 12.9990 13.2153 13.2153 15.9490 15.9490 16.0863 16.0863 16.7790 16.7790 17.0749 17.0749 17.6421 17.6421 k = 0.1304 0.5000 0.1304 ( 3440 PWs) bands (ev): 4.6621 4.6621 4.6654 4.6654 7.1006 7.1006 7.1574 7.1574 7.7476 7.7476 7.8826 7.8826 8.6326 8.6326 8.7529 8.7529 8.9537 8.9537 9.0791 9.0791 9.1863 9.1863 9.3870 9.3870 9.8017 9.8017 9.9816 9.9816 10.3251 10.3251 10.6019 10.6019 10.7293 10.7293 10.9726 10.9726 11.1863 11.1863 11.3774 11.3774 11.5802 11.5802 11.8114 11.8114 12.5254 12.5254 12.7845 12.7845 13.0169 13.0169 13.2187 13.2187 15.8800 15.8800 16.0241 16.0241 16.7949 16.7949 17.0995 17.0995 17.6663 17.6663 k = 0.1196 0.5000 0.1196 ( 3440 PWs) bands (ev): 4.6288 4.6288 4.6319 4.6319 7.1049 7.1049 7.1631 7.1631 7.7693 7.7693 7.9047 7.9047 8.6497 8.6497 8.7682 8.7682 8.9564 8.9564 9.0766 9.0766 9.1845 9.1845 9.3910 9.3910 9.7976 9.7976 9.9867 9.9867 10.3312 10.3312 10.6084 10.6084 10.7203 10.7203 10.9810 10.9810 11.1974 11.1974 11.3812 11.3812 11.5978 11.5978 11.8268 11.8268 12.5574 12.5574 12.7848 12.7848 13.0392 13.0392 13.2274 13.2274 15.8045 15.8045 15.9531 15.9531 16.8025 16.8025 17.1078 17.1078 17.7140 17.7140 k = 0.1087 0.5000 0.1087 ( 3452 PWs) bands (ev): 4.5983 4.5983 4.6011 4.6011 7.1086 7.1086 7.1682 7.1682 7.7894 7.7894 7.9251 7.9251 8.6669 8.6669 8.7841 8.7841 8.9586 8.9586 9.0725 9.0725 9.1836 9.1836 9.3946 9.3946 9.7927 9.7927 9.9924 9.9924 10.3388 10.3388 10.6115 10.6115 10.7121 10.7121 10.9874 10.9874 11.2099 11.2099 11.3867 11.3867 11.6153 11.6153 11.8399 11.8399 12.5840 12.5840 12.7790 12.7790 13.0607 13.0607 13.2434 13.2434 15.7281 15.7281 15.8795 15.8795 16.7983 16.7983 17.0989 17.0989 17.7816 17.7816 k = 0.0978 0.5000 0.0978 ( 3452 PWs) bands (ev): 4.5707 4.5707 4.5732 4.5732 7.1120 7.1120 7.1728 7.1728 7.8077 7.8077 7.9435 7.9435 8.6837 8.6837 8.8006 8.8006 8.9601 8.9601 9.0669 9.0669 9.1834 9.1834 9.3980 9.3980 9.7874 9.7874 9.9985 9.9985 10.3479 10.3479 10.6104 10.6104 10.7057 10.7057 10.9918 10.9918 11.2239 11.2239 11.3930 11.3930 11.6329 11.6329 11.8505 11.8505 12.6037 12.6037 12.7708 12.7708 13.0783 13.0783 13.2672 13.2672 15.6541 15.6541 15.8072 15.8072 16.7839 16.7839 17.0783 17.0783 17.8650 17.8650 k = 0.0870 0.5000 0.0870 ( 3456 PWs) bands (ev): 4.5459 4.5459 4.5481 4.5481 7.1150 7.1150 7.1769 7.1769 7.8240 7.8240 7.9598 7.9598 8.6998 8.6998 8.8176 8.8176 8.9611 8.9611 9.0600 9.0600 9.1836 9.1836 9.4013 9.4013 9.7820 9.7820 10.0045 10.0045 10.3584 10.3584 10.6051 10.6051 10.7018 10.7018 10.9940 10.9940 11.2394 11.2394 11.3992 11.3992 11.6511 11.6511 11.8583 11.8583 12.6157 12.6157 12.7626 12.7626 13.0921 13.0921 13.2973 13.2973 15.5847 15.5847 15.7385 15.7385 16.7628 16.7628 17.0519 17.0519 17.9579 17.9579 k = 0.0761 0.5000 0.0761 ( 3456 PWs) bands (ev): 4.5239 4.5239 4.5259 4.5259 7.1176 7.1176 7.1805 7.1805 7.8384 7.8384 7.9742 7.9742 8.7149 8.7149 8.8349 8.8349 8.9614 8.9614 9.0521 9.0521 9.1842 9.1842 9.4048 9.4048 9.7767 9.7767 10.0103 10.0103 10.3704 10.3704 10.5958 10.5958 10.7000 10.7000 10.9944 10.9944 11.2561 11.2561 11.4045 11.4045 11.6700 11.6700 11.8634 11.8634 12.6199 12.6199 12.7554 12.7554 13.1037 13.1037 13.3306 13.3306 15.5213 15.5213 15.6751 15.6751 16.7383 16.7383 17.0238 17.0238 18.0537 18.0537 k = 0.0652 0.5000 0.0652 ( 3456 PWs) bands (ev): 4.5049 4.5049 4.5066 4.5066 7.1199 7.1199 7.1836 7.1836 7.8508 7.8508 7.9864 7.9864 8.7287 8.7287 8.8522 8.8522 8.9612 8.9612 9.0432 9.0432 9.1849 9.1849 9.4083 9.4083 9.7716 9.7716 10.0157 10.0157 10.3837 10.3837 10.5836 10.5836 10.6998 10.6998 10.9935 10.9935 11.2736 11.2736 11.4082 11.4082 11.6898 11.6898 11.8654 11.8654 12.6180 12.6180 12.7492 12.7492 13.1145 13.1145 13.3644 13.3644 15.4647 15.4647 15.6180 15.6180 16.7130 16.7130 16.9964 16.9964 18.1466 18.1466 k = 0.0543 0.5000 0.0543 ( 3452 PWs) bands (ev): 4.4888 4.4888 4.4903 4.4903 7.1218 7.1218 7.1863 7.1863 7.8611 7.8611 7.9966 7.9966 8.7409 8.7409 8.8693 8.8693 8.9607 8.9607 9.0335 9.0335 9.1859 9.1859 9.4117 9.4117 9.7670 9.7670 10.0204 10.0204 10.3980 10.3980 10.5694 10.5694 10.7004 10.7004 10.9919 10.9919 11.2916 11.2916 11.4095 11.4095 11.7105 11.7105 11.8645 11.8645 12.6122 12.6122 12.7432 12.7432 13.1250 13.1250 13.3963 13.3963 15.4157 15.4157 15.5682 15.5682 16.6891 16.6891 16.9715 16.9715 18.2319 18.2319 k = 0.0435 0.5000 0.0435 ( 3452 PWs) bands (ev): 4.4757 4.4757 4.4768 4.4768 7.1234 7.1234 7.1885 7.1885 7.8695 7.8695 8.0049 8.0049 8.7514 8.7514 8.8858 8.8858 8.9601 8.9601 9.0232 9.0232 9.1869 9.1869 9.4148 9.4148 9.7629 9.7629 10.0245 10.0245 10.4131 10.4131 10.5540 10.5540 10.7012 10.7012 10.9899 10.9899 11.3094 11.3094 11.4083 11.4083 11.7317 11.7317 11.8603 11.8603 12.6050 12.6050 12.7370 12.7370 13.1352 13.1352 13.4247 13.4247 15.3749 15.3749 15.5264 15.5264 16.6679 16.6679 16.9502 16.9502 18.3057 18.3057 k = 0.0326 0.5000 0.0326 ( 3452 PWs) bands (ev): 4.4654 4.4654 4.4663 4.4663 7.1247 7.1247 7.1902 7.1902 7.8760 7.8760 8.0112 8.0112 8.7598 8.7598 8.9009 8.9009 8.9599 8.9599 9.0124 9.0124 9.1878 9.1878 9.4174 9.4174 9.7597 9.7597 10.0277 10.0277 10.4287 10.4287 10.5381 10.5381 10.7020 10.7020 10.9880 10.9880 11.3266 11.3266 11.4045 11.4045 11.7529 11.7529 11.8531 11.8531 12.5979 12.5979 12.7311 12.7311 13.1442 13.1442 13.4482 13.4482 15.3427 15.3427 15.4932 15.4932 16.6504 16.6504 16.9330 16.9330 18.3651 18.3651 k = 0.0217 0.5000 0.0217 ( 3446 PWs) bands (ev): 4.4582 4.4582 4.4588 4.4588 7.1256 7.1256 7.1914 7.1914 7.8806 7.8806 8.0157 8.0157 8.7660 8.7660 8.9137 8.9137 8.9608 8.9608 9.0016 9.0016 9.1886 9.1886 9.4195 9.4195 9.7573 9.7573 10.0301 10.0301 10.4442 10.4442 10.5223 10.5223 10.7026 10.7026 10.9864 10.9864 11.3425 11.3425 11.3983 11.3983 11.7736 11.7736 11.8429 11.8429 12.5923 12.5923 12.7260 12.7260 13.1514 13.1514 13.4657 13.4657 15.3194 15.3194 15.4691 15.4691 16.6375 16.6375 16.9204 16.9204 18.4083 18.4083 k = 0.0109 0.5000 0.0109 ( 3450 PWs) bands (ev): 4.4539 4.4539 4.4542 4.4542 7.1261 7.1261 7.1922 7.1922 7.8833 7.8833 8.0184 8.0184 8.7698 8.7698 8.9224 8.9224 8.9634 8.9634 8.9920 8.9920 9.1891 9.1891 9.4207 9.4207 9.7558 9.7558 10.0315 10.0315 10.4582 10.4582 10.5080 10.5080 10.7031 10.7031 10.9853 10.9853 11.3560 11.3560 11.3908 11.3908 11.7928 11.7928 11.8302 11.8302 12.5887 12.5887 12.7226 12.7226 13.1559 13.1559 13.4765 13.4765 15.3053 15.3053 15.4545 15.4545 16.6295 16.6295 16.9128 16.9128 18.4344 18.4344 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): 4.4524 4.4524 4.4527 4.4527 7.1263 7.1263 7.1924 7.1924 7.8842 7.8842 8.0192 8.0192 8.7711 8.7711 8.9255 8.9255 8.9654 8.9654 8.9874 8.9874 9.1893 9.1893 9.4212 9.4212 9.7554 9.7554 10.0320 10.0320 10.4654 10.4654 10.5008 10.5008 10.7032 10.7032 10.9850 10.9850 11.3626 11.3626 11.3861 11.3861 11.8050 11.8050 11.8201 11.8201 12.5875 12.5875 12.7214 12.7214 13.1575 13.1575 13.4801 13.4801 15.3006 15.3006 15.4496 15.4496 16.6269 16.6269 16.9102 16.9102 18.4431 18.4431 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): 5.7117 5.7117 5.7117 5.7117 6.0193 6.0193 6.0193 6.0193 8.0588 8.0588 8.0588 8.0588 8.2675 8.2675 8.2675 8.2675 8.8905 8.8905 8.8905 8.8905 9.4423 9.4423 9.4423 9.4423 9.9985 9.9985 9.9985 9.9985 10.2752 10.2752 10.2752 10.2752 10.8355 10.8355 10.8355 10.8355 11.1041 11.1041 11.1041 11.1041 11.6447 11.6447 11.6447 11.6447 12.0049 12.0049 12.0049 12.0049 14.3373 14.3373 14.3373 14.3373 15.3811 15.3811 15.3811 15.3811 16.8739 16.8739 16.8739 16.8739 17.3472 17.3472 k = 0.5000 0.5000 0.0152 ( 3468 PWs) bands (ev): 5.7130 5.7130 5.7135 5.7135 6.0198 6.0198 6.0204 6.0204 8.0582 8.0582 8.0583 8.0583 8.2668 8.2668 8.2677 8.2677 8.8877 8.8877 8.8925 8.8925 9.4308 9.4308 9.4515 9.4515 9.9889 9.9889 10.0062 10.0062 10.2763 10.2763 10.2765 10.2765 10.8327 10.8327 10.8379 10.8379 11.0953 11.0953 11.1137 11.1137 11.6396 11.6396 11.6476 11.6476 12.0023 12.0023 12.0059 12.0059 14.3243 14.3243 14.3327 14.3327 15.3722 15.3722 15.3798 15.3798 16.8806 16.8806 16.8941 16.8941 17.3504 17.3504 k = 0.5000 0.5000 0.0303 ( 3460 PWs) bands (ev): 5.7171 5.7171 5.7183 5.7183 6.0218 6.0218 6.0231 6.0231 8.0565 8.0565 8.0567 8.0567 8.2654 8.2654 8.2673 8.2673 8.8842 8.8842 8.8938 8.8938 9.4175 9.4175 9.4583 9.4583 9.9779 9.9779 10.0117 10.0117 10.2796 10.2796 10.2801 10.2801 10.8292 10.8292 10.8398 10.8398 11.0872 11.0872 11.1241 11.1241 11.6323 11.6323 11.6482 11.6482 11.9981 11.9981 12.0053 12.0053 14.2946 14.2946 14.3106 14.3106 15.3531 15.3531 15.3680 15.3680 16.9136 16.9136 16.9404 16.9404 17.3690 17.3690 k = 0.5000 0.5000 0.0455 ( 3448 PWs) bands (ev): 5.7243 5.7243 5.7260 5.7260 6.0253 6.0253 6.0272 6.0272 8.0536 8.0536 8.0540 8.0540 8.2636 8.2636 8.2664 8.2664 8.8801 8.8801 8.8943 8.8943 9.4025 9.4025 9.4625 9.4625 9.9660 9.9660 10.0147 10.0147 10.2849 10.2849 10.2856 10.2856 10.8252 10.8252 10.8414 10.8414 11.0799 11.0799 11.1353 11.1353 11.6230 11.6230 11.6465 11.6465 11.9925 11.9925 12.0032 12.0032 14.2505 14.2505 14.2728 14.2728 15.3246 15.3246 15.3461 15.3461 16.9713 16.9713 17.0107 17.0107 17.4025 17.4025 k = 0.5000 0.5000 0.0606 ( 3440 PWs) bands (ev): 5.7344 5.7344 5.7366 5.7366 6.0304 6.0304 6.0329 6.0329 8.0494 8.0494 8.0498 8.0498 8.2614 8.2614 8.2653 8.2653 8.8755 8.8755 8.8940 8.8940 9.3860 9.3860 9.4640 9.4640 9.9535 9.9535 10.0151 10.0151 10.2915 10.2915 10.2923 10.2923 10.8206 10.8206 10.8430 10.8430 11.0732 11.0732 11.1471 11.1471 11.6122 11.6122 11.6428 11.6428 11.9854 11.9854 11.9995 11.9995 14.1949 14.1949 14.2218 14.2218 15.2875 15.2875 15.3147 15.3147 17.0508 17.0508 17.1025 17.1025 17.4505 17.4505 k = 0.5000 0.5000 0.0758 ( 3440 PWs) bands (ev): 5.7474 5.7474 5.7502 5.7502 6.0370 6.0370 6.0401 6.0401 8.0437 8.0437 8.0441 8.0441 8.2591 8.2591 8.2641 8.2641 8.8705 8.8705 8.8929 8.8929 9.3685 9.3685 9.4626 9.4626 9.9408 9.9408 10.0130 10.0130 10.2988 10.2988 10.2994 10.2994 10.8156 10.8156 10.8448 10.8448 11.0674 11.0674 11.1594 11.1594 11.6003 11.6003 11.6373 11.6373 11.9770 11.9770 11.9943 11.9943 14.1310 14.1310 14.1607 14.1607 15.2427 15.2427 15.2746 15.2746 17.1489 17.1489 17.2123 17.2123 17.5123 17.5123 k = 0.5000 0.5000 0.0909 ( 3448 PWs) bands (ev): 5.7633 5.7633 5.7667 5.7667 6.0451 6.0451 6.0488 6.0488 8.0363 8.0363 8.0367 8.0367 8.2568 8.2568 8.2630 8.2630 8.8651 8.8651 8.8911 8.8911 9.3501 9.3501 9.4585 9.4585 9.9281 9.9281 10.0082 10.0082 10.3057 10.3057 10.3058 10.3058 10.8104 10.8104 10.8472 10.8472 11.0625 11.0625 11.1719 11.1719 11.5880 11.5880 11.6301 11.6301 11.9674 11.9674 11.9876 11.9876 14.0617 14.0617 14.0925 14.0925 15.1916 15.1916 15.2267 15.2267 17.2618 17.2618 17.3368 17.3368 17.5873 17.5873 k = 0.5000 0.5000 0.1061 ( 3456 PWs) bands (ev): 5.7820 5.7820 5.7860 5.7860 6.0547 6.0547 6.0590 6.0590 8.0270 8.0270 8.0274 8.0274 8.2548 8.2548 8.2623 8.2623 8.8595 8.8595 8.8887 8.8887 9.3310 9.3310 9.4518 9.4518 9.9153 9.9153 10.0008 10.0008 10.3102 10.3102 10.3117 10.3117 10.8053 10.8053 10.8508 10.8508 11.0585 11.0585 11.1841 11.1841 11.5761 11.5761 11.6218 11.6218 11.9567 11.9567 11.9796 11.9796 13.9896 13.9896 14.0198 14.0198 15.1351 15.1351 15.1723 15.1723 17.3855 17.3855 17.4717 17.4717 17.6755 17.6755 k = 0.5000 0.5000 0.1212 ( 3448 PWs) bands (ev): 5.8035 5.8035 5.8080 5.8080 6.0657 6.0657 6.0706 6.0706 8.0159 8.0159 8.0159 8.0159 8.2533 8.2533 8.2621 8.2621 8.8538 8.8538 8.8857 8.8857 9.3114 9.3114 9.4425 9.4425 9.9025 9.9025 9.9908 9.9908 10.3117 10.3117 10.3151 10.3151 10.8007 10.8007 10.8560 10.8560 11.0558 11.0558 11.1956 11.1956 11.5657 11.5657 11.6126 11.6126 11.9451 11.9451 11.9704 11.9704 13.9168 13.9168 13.9449 13.9449 15.0743 15.0743 15.1122 15.1122 17.5156 17.5156 17.6120 17.6120 17.7777 17.7777 k = 0.5000 0.5000 0.1364 ( 3448 PWs) bands (ev): 5.8277 5.8277 5.8328 5.8328 6.0781 6.0781 6.0837 6.0837 8.0024 8.0024 8.0027 8.0027 8.2524 8.2524 8.2625 8.2625 8.8480 8.8480 8.8822 8.8822 9.2916 9.2916 9.4310 9.4310 9.8895 9.8895 9.9781 9.9781 10.3091 10.3091 10.3149 10.3149 10.7972 10.7972 10.8634 10.8634 11.0546 11.0546 11.2055 11.2055 11.5578 11.5578 11.6031 11.6031 11.9326 11.9326 11.9599 11.9599 13.8450 13.8450 13.8697 13.8697 15.0101 15.0101 15.0477 15.0477 17.6474 17.6474 17.7505 17.7505 17.8951 17.8951 k = 0.5000 0.5000 0.1515 ( 3440 PWs) bands (ev): 5.8544 5.8544 5.8602 5.8602 6.0920 6.0920 6.0981 6.0981 7.9867 7.9867 7.9876 7.9876 8.2520 8.2520 8.2634 8.2634 8.8424 8.8424 8.8785 8.8785 9.2717 9.2717 9.4175 9.4175 9.8759 9.8759 9.9627 9.9627 10.3014 10.3014 10.3097 10.3097 10.7956 10.7956 10.8733 10.8733 11.0551 11.0551 11.2135 11.2135 11.5535 11.5535 11.5937 11.5937 11.9196 11.9196 11.9484 11.9484 13.7756 13.7756 13.7956 13.7956 14.9432 14.9432 14.9794 14.9794 17.7773 17.7773 17.8802 17.8802 18.0284 18.0284 k = 0.5000 0.5000 0.1667 ( 3432 PWs) bands (ev): 5.8837 5.8837 5.8901 5.8901 6.1072 6.1072 6.1139 6.1139 7.9691 7.9691 7.9707 7.9707 8.2521 8.2521 8.2648 8.2648 8.8369 8.8369 8.8745 8.8745 9.2519 9.2519 9.4023 9.4023 9.8614 9.8614 9.9446 9.9446 10.2880 10.2880 10.2985 10.2985 10.7965 10.7965 10.8861 10.8861 11.0576 11.0576 11.2189 11.2189 11.5538 11.5538 11.5847 11.5847 11.9063 11.9063 11.9359 11.9359 13.7095 13.7095 13.7238 13.7238 14.8742 14.8742 14.9081 14.9081 17.9038 17.9038 18.0006 18.0006 18.1766 18.1766 k = 0.5000 0.5000 0.1818 ( 3452 PWs) bands (ev): 5.9153 5.9153 5.9224 5.9224 6.1237 6.1237 6.1310 6.1310 7.9495 7.9495 7.9520 7.9520 8.2526 8.2526 8.2666 8.2666 8.8318 8.8318 8.8705 8.8705 9.2322 9.2322 9.3858 9.3858 9.8458 9.8458 9.9237 9.9237 10.2686 10.2686 10.2805 10.2805 10.8005 10.8005 10.9017 10.9017 11.0624 11.0624 11.2219 11.2219 11.5590 11.5590 11.5764 11.5764 11.8928 11.8928 11.9226 11.9226 13.6476 13.6476 13.6550 13.6550 14.8038 14.8038 14.8346 14.8346 18.0273 18.0273 18.1162 18.1162 18.3368 18.3368 k = 0.5000 0.5000 0.1970 ( 3452 PWs) bands (ev): 5.9492 5.9492 5.9570 5.9570 6.1415 6.1415 6.1494 6.1494 7.9284 7.9284 7.9319 7.9319 8.2532 8.2532 8.2684 8.2684 8.8271 8.8271 8.8666 8.8666 9.2128 9.2128 9.3681 9.3681 9.8286 9.8286 9.9000 9.9000 10.2431 10.2431 10.2554 10.2554 10.8077 10.8077 10.9201 10.9201 11.0695 11.0695 11.2228 11.2228 11.5690 11.5690 11.5692 11.5692 11.8795 11.8795 11.9085 11.9085 13.5898 13.5898 13.5902 13.5902 14.7323 14.7323 14.7593 14.7593 18.1494 18.1494 18.2303 18.2303 18.5054 18.5054 k = 0.5000 0.5000 0.2121 ( 3444 PWs) bands (ev): 5.9852 5.9852 5.9936 5.9936 6.1605 6.1605 6.1689 6.1689 7.9059 7.9059 7.9106 7.9106 8.2537 8.2537 8.2700 8.2700 8.8228 8.8228 8.8630 8.8630 9.1938 9.1938 9.3497 9.3497 9.8097 9.8097 9.8734 9.8734 10.2120 10.2120 10.2235 10.2235 10.8182 10.8182 10.9408 10.9408 11.0791 11.0791 11.2224 11.2224 11.5631 11.5631 11.5829 11.5829 11.8670 11.8670 11.8938 11.8938 13.5286 13.5286 13.5377 13.5377 14.6602 14.6602 14.6827 14.6827 18.2711 18.2711 18.3447 18.3447 18.6794 18.6794 k = 0.5000 0.5000 0.2273 ( 3440 PWs) bands (ev): 6.0230 6.0230 6.0321 6.0321 6.1806 6.1806 6.1897 6.1897 7.8825 7.8825 7.8883 7.8883 8.2536 8.2536 8.2710 8.2710 8.8193 8.8193 8.8598 8.8598 9.1753 9.1753 9.3306 9.3306 9.7889 9.7889 9.8441 9.8441 10.1758 10.1758 10.1855 10.1855 10.8315 10.8315 10.9634 10.9634 11.0911 11.0911 11.2217 11.2217 11.5583 11.5583 11.5996 11.5996 11.8557 11.8557 11.8786 11.8786 13.4717 13.4717 13.4904 13.4904 14.5876 14.5876 14.6052 14.6052 18.3929 18.3929 18.4600 18.4600 18.8562 18.8562 k = 0.5000 0.5000 0.2424 ( 3440 PWs) bands (ev): 6.0624 6.0624 6.0722 6.0722 6.2019 6.2019 6.2116 6.2116 7.8583 7.8583 7.8654 7.8654 8.2526 8.2526 8.2711 8.2711 8.8164 8.8164 8.8574 8.8574 9.1574 9.1574 9.3112 9.3112 9.7659 9.7659 9.8121 9.8121 10.1354 10.1354 10.1424 10.1424 10.8475 10.8475 10.9872 10.9872 11.1056 11.1056 11.2216 11.2216 11.5546 11.5546 11.6176 11.6176 11.8467 11.8467 11.8629 11.8629 13.4192 13.4192 13.4482 13.4482 14.5150 14.5150 14.5271 14.5271 18.5149 18.5149 18.5764 18.5764 19.0338 19.0338 k = 0.5000 0.5000 0.2576 ( 3440 PWs) bands (ev): 6.1032 6.1032 6.1136 6.1136 6.2242 6.2242 6.2346 6.2346 7.8339 7.8339 7.8423 7.8423 8.2503 8.2503 8.2698 8.2698 8.8143 8.8143 8.8557 8.8557 9.1401 9.1401 9.2916 9.2916 9.7407 9.7407 9.7777 9.7777 10.0919 10.0919 10.0956 10.0956 10.8655 10.8655 11.0116 11.0116 11.1221 11.1221 11.2228 11.2228 11.5520 11.5520 11.6348 11.6348 11.8411 11.8411 11.8471 11.8471 13.3712 13.3712 13.4112 13.4112 14.4425 14.4425 14.4488 14.4488 18.6372 18.6372 18.6938 18.6938 19.2101 19.2101 k = 0.5000 0.5000 0.2727 ( 3448 PWs) bands (ev): 6.1449 6.1449 6.1560 6.1560 6.2475 6.2475 6.2586 6.2586 7.8095 7.8095 7.8194 7.8194 8.2462 8.2462 8.2666 8.2666 8.8130 8.8130 8.8551 8.8551 9.1236 9.1236 9.2719 9.2719 9.7134 9.7134 9.7412 9.7412 10.0462 10.0462 10.0462 10.0462 10.8852 10.8852 11.0359 11.0359 11.1405 11.1405 11.2259 11.2259 11.5502 11.5502 11.6492 11.6492 11.8311 11.8311 11.8406 11.8406 13.3277 13.3277 13.3793 13.3793 14.3705 14.3705 14.3705 14.3705 18.7594 18.7594 18.8120 18.8120 19.3832 19.3832 k = 0.5000 0.5000 0.2879 ( 3448 PWs) bands (ev): 6.1872 6.1872 6.1988 6.1988 6.2718 6.2718 6.2838 6.2838 7.7857 7.7857 7.7970 7.7970 8.2400 8.2400 8.2611 8.2611 8.8125 8.8125 8.8557 8.8557 9.1079 9.1079 9.2522 9.2522 9.6843 9.6843 9.7031 9.7031 9.9956 9.9956 9.9992 9.9992 10.9063 10.9063 11.0594 11.0594 11.1603 11.1603 11.2314 11.2314 11.5490 11.5490 11.6587 11.6587 11.8151 11.8151 11.8467 11.8467 13.2889 13.2889 13.3525 13.3525 14.2926 14.2926 14.2990 14.2990 18.8812 18.8812 18.9309 18.9309 19.5515 19.5515 k = 0.5000 0.5000 0.3030 ( 3448 PWs) bands (ev): 6.2294 6.2294 6.2414 6.2414 6.2970 6.2970 6.3101 6.3101 7.7628 7.7628 7.7756 7.7756 8.2309 8.2309 8.2526 8.2526 8.8129 8.8129 8.8576 8.8576 9.0930 9.0930 9.2327 9.2327 9.6538 9.6538 9.6640 9.6640 9.9449 9.9449 9.9518 9.9518 10.9285 10.9285 11.0815 11.0815 11.1809 11.1809 11.2393 11.2393 11.5483 11.5483 11.6626 11.6626 11.7993 11.7993 11.8597 11.8597 13.2547 13.2547 13.3307 13.3307 14.2153 14.2153 14.2284 14.2284 19.0022 19.0022 19.0502 19.0502 19.7129 19.7129 k = 0.5000 0.5000 0.3182 ( 3448 PWs) bands (ev): 6.2708 6.2708 6.2828 6.2828 6.3235 6.3235 6.3381 6.3381 7.7416 7.7416 7.7558 7.7558 8.2188 8.2188 8.2408 8.2408 8.8141 8.8141 8.8610 8.8610 9.0792 9.0792 9.2133 9.2133 9.6224 9.6224 9.6249 9.6249 9.8950 9.8950 9.9047 9.9047 10.9516 10.9516 11.1018 11.1018 11.2020 11.2020 11.2497 11.2497 11.5478 11.5478 11.6616 11.6616 11.7838 11.7838 11.8786 11.8786 13.2251 13.2251 13.3138 13.3138 14.1388 14.1388 14.1588 14.1588 19.1219 19.1219 19.1698 19.1698 19.8658 19.8658 k = 0.5000 0.5000 0.3333 ( 3452 PWs) bands (ev): 6.3103 6.3103 6.3218 6.3218 6.3514 6.3514 6.3681 6.3681 7.7224 7.7224 7.7381 7.7381 8.2030 8.2030 8.2252 8.2252 8.8160 8.8160 8.8660 8.8660 9.0665 9.0665 9.1940 9.1940 9.5866 9.5866 9.5911 9.5911 9.8465 9.8465 9.8584 9.8584 10.9754 10.9754 11.1203 11.1203 11.2227 11.2227 11.2619 11.2619 11.5475 11.5475 11.6572 11.6572 11.7687 11.7687 11.9015 11.9015 13.2004 13.2004 13.3018 13.3018 14.0634 14.0634 14.0903 14.0903 19.2399 19.2399 19.2893 19.2893 20.0085 20.0085 k = 0.5000 0.5000 0.3485 ( 3448 PWs) bands (ev): 6.3464 6.3464 6.3572 6.3572 6.3815 6.3815 6.4005 6.4005 7.7060 7.7060 7.7231 7.7231 8.1834 8.1834 8.2056 8.2056 8.8185 8.8185 8.8726 8.8726 9.0548 9.0548 9.1750 9.1750 9.5505 9.5505 9.5606 9.5606 9.8001 9.8001 9.8132 9.8132 10.9998 10.9998 11.1370 11.1370 11.2423 11.2423 11.2753 11.2753 11.5474 11.5474 11.6510 11.6510 11.7542 11.7542 11.9267 11.9267 13.1806 13.1806 13.2946 13.2946 13.9895 13.9895 14.0233 14.0233 19.3556 19.3556 19.4086 19.4086 20.1391 20.1391 k = 0.5000 0.5000 0.3636 ( 3456 PWs) bands (ev): 6.3785 6.3785 6.3888 6.3888 6.4135 6.4135 6.4345 6.4345 7.6931 7.6931 7.7115 7.7115 8.1596 8.1596 8.1816 8.1816 8.8213 8.8213 8.8807 8.8807 9.0444 9.0444 9.1561 9.1561 9.5175 9.5175 9.5322 9.5322 9.7558 9.7558 9.7694 9.7694 11.0246 11.0246 11.1523 11.1523 11.2600 11.2600 11.2888 11.2888 11.5478 11.5478 11.6441 11.6441 11.7402 11.7402 11.9527 11.9527 13.1659 13.1659 13.2922 13.2922 13.9174 13.9174 13.9579 13.9579 19.4686 19.4686 19.5274 19.5274 20.2560 20.2560 k = 0.5000 0.5000 0.3788 ( 3448 PWs) bands (ev): 6.4073 6.4073 6.4175 6.4175 6.4457 6.4457 6.4683 6.4683 7.6842 7.6842 7.7041 7.7041 8.1317 8.1317 8.1535 8.1535 8.8243 8.8243 8.8903 8.8903 9.0350 9.0350 9.1374 9.1374 9.4887 9.4887 9.5068 9.5068 9.7139 9.7139 9.7272 9.7272 11.0497 11.0497 11.1665 11.1665 11.2749 11.2749 11.3014 11.3014 11.5490 11.5490 11.6376 11.6376 11.7267 11.7267 11.9782 11.9782 13.1563 13.1563 13.2945 13.2945 13.8474 13.8474 13.8942 13.8942 19.5782 19.5782 19.6453 19.6453 20.3566 20.3566 k = 0.5000 0.5000 0.3939 ( 3448 PWs) bands (ev): 6.4337 6.4337 6.4442 6.4442 6.4761 6.4761 6.4999 6.4999 7.6803 7.6803 7.7013 7.7013 8.0998 8.0998 8.1213 8.1213 8.8273 8.8273 8.9011 8.9011 9.0268 9.0268 9.1189 9.1189 9.4651 9.4651 9.4854 9.4854 9.6745 9.6745 9.6867 9.6867 11.0749 11.0749 11.1798 11.1798 11.2861 11.2861 11.3122 11.3122 11.5516 11.5516 11.6320 11.6320 11.7138 11.7138 12.0024 12.0024 13.1520 13.1520 13.3016 13.3016 13.7800 13.7800 13.8326 13.8326 19.6838 19.6838 19.7620 19.7620 20.4377 20.4377 k = 0.5000 0.5000 0.4091 ( 3448 PWs) bands (ev): 6.4583 6.4583 6.4690 6.4690 6.5031 6.5031 6.5280 6.5280 7.6818 7.6818 7.7040 7.7040 8.0644 8.0644 8.0855 8.0855 8.8302 8.8302 8.9131 8.9131 9.0197 9.0197 9.1007 9.1007 9.4473 9.4473 9.4687 9.4687 9.6376 9.6376 9.6480 9.6480 11.1001 11.1001 11.1923 11.1923 11.2928 11.2928 11.3208 11.3208 11.5561 11.5561 11.6277 11.6277 11.7011 11.7011 12.0245 12.0245 13.1529 13.1529 13.3133 13.3133 13.7158 13.7158 13.7733 13.7733 19.7845 19.7845 19.8772 19.8772 20.4957 20.4957 k = 0.5000 0.5000 0.4242 ( 3448 PWs) bands (ev): 6.4812 6.4812 6.4920 6.4920 6.5256 6.5256 6.5517 6.5517 7.6893 7.6893 7.7124 7.7124 8.0260 8.0260 8.0467 8.0467 8.8327 8.8327 8.9260 8.9260 9.0136 9.0136 9.0827 9.0827 9.4358 9.4358 9.4571 9.4571 9.6032 9.6032 9.6115 9.6115 11.1250 11.1250 11.2040 11.2040 11.2945 11.2945 11.3267 11.3267 11.5629 11.5629 11.6247 11.6247 11.6885 11.6885 12.0440 12.0440 13.1586 13.1586 13.3296 13.3296 13.6556 13.6556 13.7163 13.7163 19.8796 19.8796 19.9903 19.9903 20.5285 20.5285 k = 0.5000 0.5000 0.4394 ( 3448 PWs) bands (ev): 6.5022 6.5022 6.5127 6.5127 6.5429 6.5429 6.5702 6.5702 7.7030 7.7030 7.7270 7.7270 7.9854 7.9854 8.0057 8.0057 8.8349 8.8349 8.9396 8.9396 9.0085 9.0085 9.0651 9.0651 9.4306 9.4306 9.4508 9.4508 9.5716 9.5716 9.5772 9.5772 11.1495 11.1495 11.2147 11.2147 11.2913 11.2913 11.3301 11.3301 11.5720 11.5720 11.6231 11.6231 11.6759 11.6759 12.0604 12.0604 13.1687 13.1687 13.3504 13.3504 13.6004 13.6004 13.6621 13.6621 19.9674 19.9674 20.1007 20.1007 20.5386 20.5386 k = 0.5000 0.5000 0.4545 ( 3448 PWs) bands (ev): 6.5208 6.5208 6.5306 6.5306 6.5548 6.5548 6.5835 6.5835 7.7227 7.7227 7.7475 7.7475 7.9438 7.9438 7.9636 7.9636 8.8366 8.8366 8.9538 8.9538 9.0044 9.0044 9.0479 9.0479 9.4316 9.4316 9.4499 9.4499 9.5429 9.5429 9.5456 9.5456 11.1734 11.1734 11.2241 11.2241 11.2833 11.2833 11.3314 11.3314 11.5830 11.5830 11.6224 11.6224 11.6630 11.6630 12.0735 12.0735 13.1818 13.1818 13.3756 13.3756 13.5519 13.5519 13.6107 13.6107 20.0458 20.0458 20.2074 20.2074 20.5317 20.5317 k = 0.5000 0.5000 0.4697 ( 3448 PWs) bands (ev): 6.5366 6.5366 6.5449 6.5449 6.5610 6.5610 6.5919 6.5919 7.7478 7.7478 7.7738 7.7738 7.9025 7.9025 7.9213 7.9213 8.8378 8.8378 8.9685 8.9685 9.0014 9.0014 9.0312 9.0312 9.4383 9.4383 9.4542 9.4542 9.5171 9.5171 9.5174 9.5174 11.1964 11.1964 11.2316 11.2316 11.2714 11.2714 11.3313 11.3313 11.5955 11.5955 11.6224 11.6224 11.6498 11.6498 12.0829 12.0829 13.1957 13.1957 13.4051 13.4051 13.5125 13.5125 13.5625 13.5625 20.1111 20.1111 20.3093 20.3093 20.5153 20.5153 k = 0.5000 0.5000 0.4848 ( 3448 PWs) bands (ev): 6.5492 6.5492 6.5544 6.5544 6.5619 6.5619 6.5961 6.5961 7.7764 7.7764 7.8053 7.8053 7.8640 7.8640 7.8801 7.8801 8.8386 8.8386 8.9835 8.9835 8.9996 8.9996 9.0149 9.0149 9.4500 9.4500 9.4634 9.4634 9.4924 9.4924 9.4954 9.4954 11.2181 11.2181 11.2364 11.2364 11.2561 11.2561 11.3308 11.3308 11.6088 11.6088 11.6225 11.6225 11.6363 11.6363 12.0887 12.0887 13.2069 13.2069 13.4387 13.4387 13.4858 13.4858 13.5176 13.5176 20.1567 20.1567 20.4045 20.4045 20.4982 20.4982 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): 6.5578 6.5578 6.5578 6.5578 6.5578 6.5578 6.5973 6.5973 7.7960 7.7960 7.8410 7.8410 7.8410 7.8410 7.8410 7.8410 8.8388 8.8388 8.9990 8.9990 8.9990 8.9990 8.9990 8.9990 9.4607 9.4607 9.4773 9.4773 9.4773 9.4773 9.4773 9.4773 11.2382 11.2382 11.2382 11.2382 11.2382 11.2382 11.3305 11.3305 11.6226 11.6226 11.6226 11.6226 11.6226 11.6226 12.0906 12.0906 13.2113 13.2113 13.4763 13.4763 13.4763 13.4763 13.4763 13.4763 20.1736 20.1736 20.4906 20.4906 20.4906 20.4906 Writing output data file AlPt.save init_run : 2.20s CPU 13.67s WALL ( 1 calls) electrons : 1039.98s CPU 1049.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1039.94s CPU 1049.53s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.59s WALL ( 1 calls) newd : 0.49s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 253 calls) cegterg : 1002.90s CPU 1010.14s WALL ( 848 calls) Called by sum_band: Called by *egterg: h_psi : 333.32s CPU 344.56s WALL ( 15735 calls) s_psi : 55.33s CPU 55.65s WALL ( 15735 calls) g_psi : 0.79s CPU 0.83s WALL ( 14634 calls) cdiaghg : 473.06s CPU 469.54s WALL ( 14887 calls) cegterg:over : 84.54s CPU 81.59s WALL ( 14634 calls) cegterg:upda : 16.80s CPU 20.75s WALL ( 14634 calls) cegterg:last : 13.92s CPU 14.68s WALL ( 2299 calls) Called by h_psi: h_psi:vloc : 226.10s CPU 234.10s WALL ( 15735 calls) h_psi:vnl : 106.93s CPU 109.46s WALL ( 15735 calls) add_vuspsi : 38.46s CPU 42.79s WALL ( 15735 calls) General routines calbec : 68.41s CPU 66.58s WALL ( 15735 calls) fft : 0.32s CPU 1.11s WALL ( 19 calls) ffts : 0.03s CPU 0.05s WALL ( 4 calls) fftw : 208.00s CPU 213.04s WALL ( 1736132 calls) interpolate : 0.17s CPU 0.20s WALL ( 4 calls) davcio : 0.01s CPU 1.09s WALL ( 506 calls) Parallel routines fft_scatter : 136.98s CPU 143.26s WALL ( 1736155 calls) PWSCF : 18m 4.73s CPU 19m13.79s WALL This run was terminated on: 2:16:27 29Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=