Program PWSCF v.5.1.1 starts on 29Aug2015 at 1:26:13 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: ./AlPd.save/ file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 62 20 6 2580 486 80 Max 63 21 7 2583 501 85 Sum 2997 989 293 123905 23583 3887 bravais-lattice index = 14 lattice parameter (alat) = 9.1822 a.u. unit-cell volume = 774.1715 (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 = 37.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.182179 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 Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 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 1235 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) Pd 10.00 106.42000 Pd( 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: 123905 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 23583 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 128, 62) NL pseudopotentials 0.19 Mb ( 64, 192) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2582) G-vector shells 0.00 Mb ( 588) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 128, 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 : ./AlPd.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 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 47.4 secs Computing kpt #: 4 total cpu time spent up to now is 49.5 secs Computing kpt #: 5 total cpu time spent up to now is 51.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.8 secs Computing kpt #: 7 total cpu time spent up to now is 55.8 secs Computing kpt #: 8 total cpu time spent up to now is 57.8 secs Computing kpt #: 9 total cpu time spent up to now is 59.7 secs Computing kpt #: 10 total cpu time spent up to now is 61.5 secs Computing kpt #: 11 total cpu time spent up to now is 63.4 secs Computing kpt #: 12 total cpu time spent up to now is 65.3 secs Computing kpt #: 13 total cpu time spent up to now is 67.1 secs Computing kpt #: 14 total cpu time spent up to now is 68.9 secs Computing kpt #: 15 total cpu time spent up to now is 70.8 secs Computing kpt #: 16 total cpu time spent up to now is 72.6 secs Computing kpt #: 17 total cpu time spent up to now is 74.4 secs Computing kpt #: 18 total cpu time spent up to now is 76.3 secs Computing kpt #: 19 total cpu time spent up to now is 78.2 secs Computing kpt #: 20 total cpu time spent up to now is 80.2 secs Computing kpt #: 21 total cpu time spent up to now is 82.1 secs Computing kpt #: 22 total cpu time spent up to now is 84.2 secs Computing kpt #: 23 total cpu time spent up to now is 86.3 secs Computing kpt #: 24 total cpu time spent up to now is 88.3 secs Computing kpt #: 25 total cpu time spent up to now is 90.4 secs Computing kpt #: 26 total cpu time spent up to now is 92.5 secs Computing kpt #: 27 total cpu time spent up to now is 94.6 secs Computing kpt #: 28 total cpu time spent up to now is 96.8 secs Computing kpt #: 29 total cpu time spent up to now is 99.4 secs Computing kpt #: 30 total cpu time spent up to now is 103.3 secs Computing kpt #: 31 total cpu time spent up to now is 108.2 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.3 secs Computing kpt #: 33 total cpu time spent up to now is 118.3 secs Computing kpt #: 34 total cpu time spent up to now is 121.6 secs Computing kpt #: 35 total cpu time spent up to now is 126.4 secs Computing kpt #: 36 total cpu time spent up to now is 130.0 secs Computing kpt #: 37 total cpu time spent up to now is 133.3 secs Computing kpt #: 38 total cpu time spent up to now is 136.6 secs Computing kpt #: 39 total cpu time spent up to now is 139.2 secs Computing kpt #: 40 total cpu time spent up to now is 141.4 secs Computing kpt #: 41 total cpu time spent up to now is 143.6 secs Computing kpt #: 42 total cpu time spent up to now is 145.8 secs Computing kpt #: 43 total cpu time spent up to now is 147.9 secs Computing kpt #: 44 total cpu time spent up to now is 150.0 secs Computing kpt #: 45 total cpu time spent up to now is 152.1 secs Computing kpt #: 46 total cpu time spent up to now is 154.3 secs Computing kpt #: 47 total cpu time spent up to now is 156.4 secs Computing kpt #: 48 total cpu time spent up to now is 158.6 secs Computing kpt #: 49 total cpu time spent up to now is 160.7 secs Computing kpt #: 50 total cpu time spent up to now is 162.8 secs Computing kpt #: 51 total cpu time spent up to now is 165.0 secs Computing kpt #: 52 total cpu time spent up to now is 167.1 secs Computing kpt #: 53 total cpu time spent up to now is 169.7 secs Computing kpt #: 54 total cpu time spent up to now is 171.8 secs Computing kpt #: 55 total cpu time spent up to now is 174.3 secs Computing kpt #: 56 total cpu time spent up to now is 176.8 secs Computing kpt #: 57 total cpu time spent up to now is 179.3 secs Computing kpt #: 58 total cpu time spent up to now is 181.4 secs Computing kpt #: 59 total cpu time spent up to now is 183.5 secs Computing kpt #: 60 total cpu time spent up to now is 185.5 secs Computing kpt #: 61 total cpu time spent up to now is 187.6 secs Computing kpt #: 62 total cpu time spent up to now is 189.7 secs Computing kpt #: 63 total cpu time spent up to now is 191.8 secs Computing kpt #: 64 total cpu time spent up to now is 193.9 secs Computing kpt #: 65 total cpu time spent up to now is 196.0 secs Computing kpt #: 66 total cpu time spent up to now is 198.1 secs Computing kpt #: 67 total cpu time spent up to now is 200.2 secs Computing kpt #: 68 total cpu time spent up to now is 202.1 secs Computing kpt #: 69 total cpu time spent up to now is 204.0 secs Computing kpt #: 70 total cpu time spent up to now is 206.1 secs Computing kpt #: 71 total cpu time spent up to now is 208.3 secs Computing kpt #: 72 total cpu time spent up to now is 210.3 secs Computing kpt #: 73 total cpu time spent up to now is 212.4 secs Computing kpt #: 74 total cpu time spent up to now is 214.5 secs Computing kpt #: 75 total cpu time spent up to now is 216.5 secs Computing kpt #: 76 total cpu time spent up to now is 218.6 secs Computing kpt #: 77 total cpu time spent up to now is 220.8 secs Computing kpt #: 78 total cpu time spent up to now is 222.9 secs Computing kpt #: 79 total cpu time spent up to now is 225.0 secs Computing kpt #: 80 total cpu time spent up to now is 227.2 secs Computing kpt #: 81 total cpu time spent up to now is 229.4 secs Computing kpt #: 82 total cpu time spent up to now is 232.1 secs Computing kpt #: 83 total cpu time spent up to now is 234.3 secs Computing kpt #: 84 total cpu time spent up to now is 236.5 secs Computing kpt #: 85 total cpu time spent up to now is 238.5 secs Computing kpt #: 86 total cpu time spent up to now is 240.6 secs Computing kpt #: 87 total cpu time spent up to now is 242.7 secs Computing kpt #: 88 total cpu time spent up to now is 244.8 secs Computing kpt #: 89 total cpu time spent up to now is 246.9 secs Computing kpt #: 90 total cpu time spent up to now is 249.5 secs Computing kpt #: 91 total cpu time spent up to now is 252.0 secs Computing kpt #: 92 total cpu time spent up to now is 254.0 secs Computing kpt #: 93 total cpu time spent up to now is 256.1 secs Computing kpt #: 94 total cpu time spent up to now is 258.4 secs Computing kpt #: 95 total cpu time spent up to now is 260.5 secs Computing kpt #: 96 total cpu time spent up to now is 262.6 secs Computing kpt #: 97 total cpu time spent up to now is 264.7 secs Computing kpt #: 98 total cpu time spent up to now is 266.8 secs Computing kpt #: 99 total cpu time spent up to now is 269.0 secs Computing kpt #: 100 total cpu time spent up to now is 271.1 secs Computing kpt #: 101 total cpu time spent up to now is 273.2 secs Computing kpt #: 102 total cpu time spent up to now is 275.2 secs Computing kpt #: 103 total cpu time spent up to now is 277.3 secs Computing kpt #: 104 total cpu time spent up to now is 279.5 secs Computing kpt #: 105 total cpu time spent up to now is 281.8 secs Computing kpt #: 106 total cpu time spent up to now is 284.1 secs Computing kpt #: 107 total cpu time spent up to now is 286.3 secs Computing kpt #: 108 total cpu time spent up to now is 288.5 secs Computing kpt #: 109 total cpu time spent up to now is 290.6 secs Computing kpt #: 110 total cpu time spent up to now is 292.8 secs Computing kpt #: 111 total cpu time spent up to now is 295.0 secs Computing kpt #: 112 total cpu time spent up to now is 297.2 secs Computing kpt #: 113 total cpu time spent up to now is 299.5 secs Computing kpt #: 114 total cpu time spent up to now is 301.9 secs Computing kpt #: 115 total cpu time spent up to now is 303.9 secs Computing kpt #: 116 total cpu time spent up to now is 306.0 secs Computing kpt #: 117 total cpu time spent up to now is 308.2 secs Computing kpt #: 118 total cpu time spent up to now is 310.6 secs Computing kpt #: 119 total cpu time spent up to now is 312.8 secs Computing kpt #: 120 total cpu time spent up to now is 315.7 secs Computing kpt #: 121 total cpu time spent up to now is 318.4 secs Computing kpt #: 122 total cpu time spent up to now is 320.9 secs Computing kpt #: 123 total cpu time spent up to now is 323.0 secs Computing kpt #: 124 total cpu time spent up to now is 325.1 secs Computing kpt #: 125 total cpu time spent up to now is 327.3 secs Computing kpt #: 126 total cpu time spent up to now is 329.5 secs Computing kpt #: 127 total cpu time spent up to now is 331.6 secs Computing kpt #: 128 total cpu time spent up to now is 333.7 secs Computing kpt #: 129 total cpu time spent up to now is 336.0 secs Computing kpt #: 130 total cpu time spent up to now is 338.1 secs Computing kpt #: 131 total cpu time spent up to now is 340.2 secs Computing kpt #: 132 total cpu time spent up to now is 342.2 secs Computing kpt #: 133 total cpu time spent up to now is 344.3 secs Computing kpt #: 134 total cpu time spent up to now is 346.5 secs Computing kpt #: 135 total cpu time spent up to now is 348.6 secs Computing kpt #: 136 total cpu time spent up to now is 351.4 secs Computing kpt #: 137 total cpu time spent up to now is 354.5 secs Computing kpt #: 138 total cpu time spent up to now is 357.2 secs Computing kpt #: 139 total cpu time spent up to now is 359.3 secs Computing kpt #: 140 total cpu time spent up to now is 361.4 secs Computing kpt #: 141 total cpu time spent up to now is 363.5 secs Computing kpt #: 142 total cpu time spent up to now is 365.6 secs Computing kpt #: 143 total cpu time spent up to now is 367.8 secs Computing kpt #: 144 total cpu time spent up to now is 369.9 secs Computing kpt #: 145 total cpu time spent up to now is 372.0 secs Computing kpt #: 146 total cpu time spent up to now is 374.1 secs Computing kpt #: 147 total cpu time spent up to now is 376.3 secs Computing kpt #: 148 total cpu time spent up to now is 378.4 secs Computing kpt #: 149 total cpu time spent up to now is 380.6 secs Computing kpt #: 150 total cpu time spent up to now is 382.7 secs Computing kpt #: 151 total cpu time spent up to now is 384.9 secs Computing kpt #: 152 total cpu time spent up to now is 387.1 secs Computing kpt #: 153 total cpu time spent up to now is 389.4 secs Computing kpt #: 154 total cpu time spent up to now is 391.7 secs Computing kpt #: 155 total cpu time spent up to now is 394.1 secs Computing kpt #: 156 total cpu time spent up to now is 396.5 secs Computing kpt #: 157 total cpu time spent up to now is 399.0 secs Computing kpt #: 158 total cpu time spent up to now is 401.5 secs Computing kpt #: 159 total cpu time spent up to now is 404.1 secs Computing kpt #: 160 total cpu time spent up to now is 406.6 secs Computing kpt #: 161 total cpu time spent up to now is 409.2 secs Computing kpt #: 162 total cpu time spent up to now is 411.7 secs Computing kpt #: 163 total cpu time spent up to now is 414.2 secs Computing kpt #: 164 total cpu time spent up to now is 416.7 secs Computing kpt #: 165 total cpu time spent up to now is 419.2 secs Computing kpt #: 166 total cpu time spent up to now is 422.0 secs Computing kpt #: 167 total cpu time spent up to now is 424.9 secs Computing kpt #: 168 total cpu time spent up to now is 428.6 secs Computing kpt #: 169 total cpu time spent up to now is 432.2 secs Computing kpt #: 170 total cpu time spent up to now is 435.1 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 440.3 secs Computing kpt #: 172 total cpu time spent up to now is 443.2 secs Computing kpt #: 173 total cpu time spent up to now is 445.9 secs Computing kpt #: 174 total cpu time spent up to now is 450.0 secs Computing kpt #: 175 total cpu time spent up to now is 453.4 secs Computing kpt #: 176 total cpu time spent up to now is 457.5 secs Computing kpt #: 177 total cpu time spent up to now is 461.5 secs Computing kpt #: 178 total cpu time spent up to now is 465.9 secs Computing kpt #: 179 total cpu time spent up to now is 470.3 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.4 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.5 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.6 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.7 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.8 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.9 secs Computing kpt #: 186 total cpu time spent up to now is 505.5 secs Computing kpt #: 187 total cpu time spent up to now is 509.1 secs Computing kpt #: 188 total cpu time spent up to now is 512.9 secs Computing kpt #: 189 total cpu time spent up to now is 515.6 secs Computing kpt #: 190 total cpu time spent up to now is 518.0 secs Computing kpt #: 191 total cpu time spent up to now is 520.4 secs Computing kpt #: 192 total cpu time spent up to now is 522.7 secs Computing kpt #: 193 total cpu time spent up to now is 525.1 secs Computing kpt #: 194 total cpu time spent up to now is 527.4 secs Computing kpt #: 195 total cpu time spent up to now is 529.6 secs Computing kpt #: 196 total cpu time spent up to now is 531.8 secs Computing kpt #: 197 total cpu time spent up to now is 533.9 secs Computing kpt #: 198 total cpu time spent up to now is 536.1 secs Computing kpt #: 199 total cpu time spent up to now is 538.3 secs Computing kpt #: 200 total cpu time spent up to now is 540.5 secs Computing kpt #: 201 total cpu time spent up to now is 542.8 secs Computing kpt #: 202 total cpu time spent up to now is 545.1 secs Computing kpt #: 203 total cpu time spent up to now is 547.6 secs Computing kpt #: 204 total cpu time spent up to now is 550.2 secs Computing kpt #: 205 total cpu time spent up to now is 552.4 secs Computing kpt #: 206 total cpu time spent up to now is 554.6 secs Computing kpt #: 207 total cpu time spent up to now is 556.8 secs Computing kpt #: 208 total cpu time spent up to now is 559.1 secs Computing kpt #: 209 total cpu time spent up to now is 561.2 secs Computing kpt #: 210 total cpu time spent up to now is 563.5 secs Computing kpt #: 211 total cpu time spent up to now is 565.7 secs Computing kpt #: 212 total cpu time spent up to now is 568.0 secs Computing kpt #: 213 total cpu time spent up to now is 570.3 secs Computing kpt #: 214 total cpu time spent up to now is 572.8 secs Computing kpt #: 215 total cpu time spent up to now is 575.4 secs Computing kpt #: 216 total cpu time spent up to now is 578.7 secs Computing kpt #: 217 total cpu time spent up to now is 582.7 secs Computing kpt #: 218 total cpu time spent up to now is 586.5 secs Computing kpt #: 219 total cpu time spent up to now is 589.8 secs Computing kpt #: 220 total cpu time spent up to now is 591.7 secs Computing kpt #: 221 total cpu time spent up to now is 593.7 secs Computing kpt #: 222 total cpu time spent up to now is 595.8 secs Computing kpt #: 223 total cpu time spent up to now is 597.9 secs Computing kpt #: 224 total cpu time spent up to now is 600.0 secs Computing kpt #: 225 total cpu time spent up to now is 602.1 secs Computing kpt #: 226 total cpu time spent up to now is 604.2 secs Computing kpt #: 227 total cpu time spent up to now is 606.3 secs Computing kpt #: 228 total cpu time spent up to now is 608.3 secs Computing kpt #: 229 total cpu time spent up to now is 610.5 secs Computing kpt #: 230 total cpu time spent up to now is 612.6 secs Computing kpt #: 231 total cpu time spent up to now is 614.9 secs Computing kpt #: 232 total cpu time spent up to now is 617.0 secs Computing kpt #: 233 total cpu time spent up to now is 619.1 secs Computing kpt #: 234 total cpu time spent up to now is 621.3 secs Computing kpt #: 235 total cpu time spent up to now is 623.5 secs Computing kpt #: 236 total cpu time spent up to now is 625.6 secs Computing kpt #: 237 total cpu time spent up to now is 628.2 secs Computing kpt #: 238 total cpu time spent up to now is 631.5 secs Computing kpt #: 239 total cpu time spent up to now is 635.9 secs Computing kpt #: 240 total cpu time spent up to now is 639.9 secs Computing kpt #: 241 total cpu time spent up to now is 644.6 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 649.3 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.1 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 659.0 secs Computing kpt #: 245 total cpu time spent up to now is 663.2 secs Computing kpt #: 246 total cpu time spent up to now is 667.4 secs Computing kpt #: 247 total cpu time spent up to now is 670.7 secs Computing kpt #: 248 total cpu time spent up to now is 674.0 secs Computing kpt #: 249 total cpu time spent up to now is 677.2 secs Computing kpt #: 250 total cpu time spent up to now is 680.3 secs Computing kpt #: 251 total cpu time spent up to now is 683.4 secs Computing kpt #: 252 total cpu time spent up to now is 687.4 secs Computing kpt #: 253 total cpu time spent up to now is 690.2 secs ethr = 1.92E-11, avg # of iterations = 39.8 total cpu time spent up to now is 690.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): 2.2237 2.2237 6.0831 6.0831 6.0831 6.0831 6.1257 6.1257 7.4132 7.4132 7.4743 7.4743 7.4743 7.4743 7.7952 7.7952 7.7952 7.7952 7.9287 7.9287 7.9536 7.9536 8.4077 8.4077 8.4077 8.4077 8.6325 8.6325 8.6325 8.6325 8.7221 8.7221 9.2735 9.2735 9.2735 9.2735 9.3377 9.3377 10.1378 10.1378 10.1378 10.1378 10.8060 10.8060 10.9627 10.9627 10.9627 10.9627 11.9351 11.9351 12.0106 12.0106 12.0106 12.0106 16.3321 16.3321 16.3321 16.3321 16.4176 16.4176 16.5200 16.5200 k = 0.0000 0.0152-0.0000 ( 2945 PWs) bands (ev): 2.2253 2.2253 6.0501 6.0644 6.0905 6.1087 6.1145 6.1525 7.4087 7.4159 7.4560 7.4664 7.4824 7.4899 7.7789 7.7872 7.8008 7.8153 7.9068 7.9430 7.9509 7.9726 8.3863 8.3998 8.4137 8.4252 8.6023 8.6112 8.6508 8.6621 8.7090 8.7361 9.2554 9.2651 9.2836 9.2930 9.3287 9.3479 10.1326 10.1346 10.1399 10.1424 10.7599 10.8389 10.9028 10.9455 10.9861 11.0164 11.8985 11.9596 11.9713 12.0000 12.0387 12.0675 16.2663 16.2916 16.3014 16.3727 16.3786 16.4550 16.4787 16.5305 k = 0.0000 0.0303-0.0000 ( 2945 PWs) bands (ev): 2.2300 2.2300 6.0154 6.0338 6.0940 6.1020 6.1445 6.1818 7.4016 7.4163 7.4359 7.4592 7.4909 7.5033 7.7667 7.7775 7.8035 7.8386 7.8853 7.9541 7.9561 8.0029 8.3624 8.3897 8.4176 8.4366 8.5726 8.5874 8.6655 8.6894 8.6986 8.7509 9.2389 9.2586 9.2951 9.3133 9.3213 9.3595 10.1268 10.1304 10.1408 10.1464 10.7050 10.8375 10.8599 10.9326 11.0140 11.0616 11.8672 11.9285 11.9800 11.9937 12.0970 12.1369 16.1877 16.2143 16.2334 16.3095 16.3990 16.4149 16.4761 16.5083 k = 0.0000 0.0455-0.0000 ( 2945 PWs) bands (ev): 2.2378 2.2378 5.9790 5.9978 6.0962 6.0990 6.1731 6.2110 7.3908 7.4046 7.4241 7.4531 7.4998 7.5153 7.7584 7.7672 7.8037 7.8626 7.8687 7.9659 7.9685 8.0373 8.3371 8.3775 8.4195 8.4395 8.5442 8.5616 8.6753 8.6941 8.7111 8.7682 9.2242 9.2541 9.3077 9.3132 9.3367 9.3727 10.1202 10.1254 10.1405 10.1497 10.6456 10.7723 10.8690 10.9219 11.0419 11.0973 11.8435 11.9022 11.9835 11.9880 12.1773 12.2191 16.1014 16.1255 16.1518 16.2335 16.3357 16.3926 16.4566 16.4701 k = 0.0000 0.0606-0.0000 ( 2945 PWs) bands (ev): 2.2487 2.2487 5.9406 5.9587 6.0973 6.0980 6.2004 6.2393 7.3757 7.3786 7.4235 7.4486 7.5095 7.5264 7.7539 7.7575 7.8018 7.8510 7.8926 7.9790 7.9867 8.0739 8.3112 8.3630 8.4190 8.4328 8.5173 8.5343 8.6796 8.6982 8.7241 8.7904 9.2115 9.2514 9.3071 9.3210 9.3602 9.3879 10.1127 10.1198 10.1390 10.1520 10.5852 10.7068 10.8723 10.9121 11.0655 11.1229 11.8267 11.8834 11.9819 11.9836 12.2732 12.3138 16.0112 16.0321 16.0630 16.1494 16.2468 16.3616 16.3836 16.4385 k = 0.0000 0.0758-0.0000 ( 2941 PWs) bands (ev): 2.2628 2.2628 5.9001 5.9170 6.0962 6.0996 6.2264 6.2664 7.3488 7.3563 7.4242 7.4454 7.5201 7.5375 7.7492 7.7526 7.7986 7.8385 7.9211 7.9948 8.0083 8.1119 8.2853 8.3460 8.4105 8.4233 8.4908 8.5062 8.6818 8.7079 8.7283 8.8171 9.2009 9.2504 9.3017 9.3347 9.3852 9.4053 10.1040 10.1137 10.1363 10.1531 10.5264 10.6434 10.8717 10.9025 11.0826 11.1387 11.8158 11.8710 11.9752 11.9818 12.3819 12.4202 15.9195 15.9372 15.9692 16.0590 16.1525 16.2972 16.3112 16.3863 k = 0.0000 0.0909-0.0000 ( 2941 PWs) bands (ev): 2.2800 2.2800 5.8573 5.8729 6.0955 6.1012 6.2512 6.2923 7.3168 7.3330 7.4252 7.4433 7.5319 7.5491 7.7431 7.7541 7.7945 7.8282 7.9500 8.0128 8.0327 8.1506 8.2597 8.3265 8.3890 8.4190 8.4633 8.4780 8.6826 8.7218 8.7260 8.8459 9.1922 9.2507 9.2972 9.3485 9.4117 9.4249 10.0941 10.1070 10.1325 10.1525 10.4707 10.5833 10.8685 10.8932 11.0926 11.1456 11.8097 11.8637 11.9677 11.9788 12.5013 12.5368 15.8279 15.8424 15.8720 15.9633 16.0558 16.2029 16.2466 16.3189 k = 0.0000 0.1061-0.0000 ( 2933 PWs) bands (ev): 2.3002 2.3002 5.8121 5.8263 6.0951 6.1028 6.2747 6.3169 7.2834 7.3067 7.4263 7.4419 7.5451 7.5618 7.7394 7.7576 7.7901 7.8197 7.9784 8.0325 8.0593 8.1896 8.2349 8.3044 8.3627 8.4147 8.4343 8.4504 8.6813 8.7191 8.7397 8.8756 9.1853 9.2516 9.2939 9.3621 9.4397 9.4469 10.0830 10.0997 10.1276 10.1502 10.4196 10.5275 10.8636 10.8843 11.0957 11.1447 11.8073 11.8606 11.9593 11.9749 12.6291 12.6620 15.7377 15.7487 15.7722 15.8633 15.9590 16.1045 16.1722 16.2409 k = 0.0000 0.1212-0.0000 ( 2934 PWs) bands (ev): 2.3236 2.3236 5.7643 5.7770 6.0949 6.1044 6.2969 6.3400 7.2490 7.2780 7.4275 7.4409 7.5597 7.5756 7.7382 7.7620 7.7862 7.8127 8.0055 8.0534 8.0874 8.2114 8.2282 8.2798 8.3347 8.4008 8.4129 8.4239 8.6780 8.7088 8.7606 8.9053 9.1797 9.2523 9.2921 9.3753 9.4689 9.4709 10.0707 10.0914 10.1216 10.1456 10.3735 10.4765 10.8577 10.8758 11.0927 11.1370 11.8077 11.8605 11.9501 11.9702 12.7632 12.7939 15.6492 15.6565 15.6710 15.7602 15.8631 16.0045 16.0917 16.1563 k = 0.0000 0.1364-0.0000 ( 2938 PWs) bands (ev): 2.3500 2.3500 5.7137 5.7251 6.0949 6.1062 6.3178 6.3617 7.2141 7.2475 7.4286 7.4402 7.5756 7.5908 7.7394 7.7651 7.7850 7.8068 8.0307 8.0750 8.1160 8.1898 8.2521 8.2666 8.3065 8.3698 8.3992 8.4072 8.6735 8.6967 8.7834 8.9348 9.1750 9.2520 9.2923 9.3881 9.4966 9.4993 10.0572 10.0819 10.1147 10.1387 10.3330 10.4308 10.8514 10.8683 11.0842 11.1237 11.8102 11.8625 11.9399 11.9653 12.9012 12.9303 15.5605 15.5660 15.5715 15.6557 15.7689 15.9045 16.0085 16.0685 k = 0.0000 0.1515-0.0000 ( 2942 PWs) bands (ev): 2.3794 2.3794 5.6603 5.6703 6.0951 6.1080 6.3373 6.3818 7.1793 7.2162 7.4296 7.4396 7.5926 7.6074 7.7428 7.7644 7.7889 7.8020 8.0531 8.0964 8.1412 8.1733 8.2242 8.2789 8.3017 8.3379 8.3774 8.4026 8.6687 8.6843 8.8074 8.9638 9.1710 9.2500 9.2947 9.4004 9.5238 9.5304 10.0424 10.0710 10.1067 10.1295 10.2978 10.3906 10.8453 10.8620 11.0709 11.1055 11.8142 11.8654 11.9291 11.9606 13.0410 13.0689 15.4611 15.4764 15.4854 15.5520 15.6767 15.8058 15.9260 15.9811 k = 0.0000 0.1667-0.0000 ( 2934 PWs) bands (ev): 2.4119 2.4119 5.6038 5.6125 6.0956 6.1100 6.3554 6.4001 7.1449 7.1848 7.4304 7.4390 7.6105 7.6254 7.7481 7.7615 7.7966 7.7983 8.0725 8.1162 8.1418 8.1798 8.1977 8.2527 8.3071 8.3308 8.3626 8.3990 8.6646 8.6731 8.8321 8.9921 9.1674 9.2466 9.2992 9.4122 9.5519 9.5618 10.0265 10.0585 10.0978 10.1187 10.2674 10.3560 10.8398 10.8574 11.0538 11.0835 11.8190 11.8680 11.9176 11.9569 13.1797 13.2072 15.3577 15.3856 15.4066 15.4525 15.5867 15.7090 15.8476 15.8976 k = 0.0000 0.1818-0.0000 ( 2946 PWs) bands (ev): 2.4473 2.4474 5.5442 5.5517 6.0964 6.1121 6.3719 6.4165 7.1113 7.1537 7.4303 7.4381 7.6284 7.6443 7.7552 7.7592 7.7958 7.8058 8.0879 8.1271 8.1321 8.1631 8.2083 8.2282 8.2792 8.3347 8.3743 8.3969 8.6616 8.6647 8.8571 9.0194 9.1641 9.2419 9.3051 9.4233 9.5803 9.5927 10.0091 10.0442 10.0879 10.1066 10.2412 10.3269 10.8354 10.8544 11.0331 11.0583 11.8241 11.8689 11.9058 11.9552 13.3145 13.3422 15.2540 15.2907 15.3320 15.3608 15.4991 15.6150 15.7773 15.8218 k = 0.0000 0.1970-0.0000 ( 2950 PWs) bands (ev): 2.4858 2.4858 5.4814 5.4878 6.0975 6.1145 6.3866 6.4309 7.0790 7.1237 7.4293 7.4367 7.6455 7.6637 7.7594 7.7639 7.7953 7.8155 8.0988 8.1122 8.1357 8.1412 8.2062 8.2247 8.2571 8.3317 8.3972 8.3972 8.6607 8.6614 8.8822 9.0453 9.1613 9.2362 9.3123 9.4338 9.6084 9.6225 9.9902 10.0280 10.0771 10.0938 10.2191 10.3035 10.8324 10.8530 11.0097 11.0309 11.8285 11.8669 11.8942 11.9564 13.4417 13.4703 15.1507 15.1912 15.2611 15.2778 15.4142 15.5240 15.7197 15.7583 k = 0.0000 0.2121-0.0000 ( 2942 PWs) bands (ev): 2.5272 2.5272 5.4154 5.4209 6.0989 6.1171 6.3995 6.4429 7.0484 7.0954 7.4268 7.4346 7.6604 7.6828 7.7639 7.7732 7.7982 7.8252 8.0979 8.1041 8.1111 8.1403 8.1873 8.2285 8.2438 8.3410 8.4009 8.4158 8.6624 8.6649 8.9072 9.0689 9.1599 9.2299 9.3206 9.4438 9.6356 9.6501 9.9695 10.0103 10.0652 10.0803 10.2018 10.2859 10.8310 10.8524 10.9841 11.0026 11.8310 11.8615 11.8842 11.9606 13.5574 13.5875 15.0485 15.0894 15.1933 15.2011 15.3323 15.4366 15.6799 15.7122 k = 0.0000 0.2273-0.0000 ( 2946 PWs) bands (ev): 2.5714 2.5715 5.3463 5.3509 6.1007 6.1200 6.4101 6.4524 7.0201 7.0693 7.4222 7.4313 7.6719 7.7005 7.7735 7.7808 7.8071 7.8345 8.0811 8.0938 8.1026 8.1302 8.1721 8.2204 8.2391 8.3614 8.4081 8.4283 8.6667 8.6762 8.9317 9.0885 9.1611 9.2229 9.3299 9.4535 9.6611 9.6745 9.9464 9.9914 10.0512 10.0658 10.1909 10.2740 10.8311 10.8508 10.9570 10.9755 11.8292 11.8530 11.8777 11.9672 13.6572 13.6893 14.9475 14.9876 15.1278 15.1286 15.2537 15.3531 15.6633 15.6891 k = 0.0000 0.2424-0.0000 ( 2938 PWs) bands (ev): 2.6186 2.6187 5.2742 5.2780 6.1030 6.1232 6.4184 6.4592 6.9944 7.0461 7.4153 7.4267 7.6807 7.7162 7.7862 7.7873 7.8235 7.8438 8.0633 8.0835 8.0944 8.1158 8.1606 8.2066 8.2385 8.3850 8.4190 8.4370 8.6740 8.6950 8.9557 9.1014 9.1677 9.2156 9.3403 9.4631 9.6845 9.6947 9.9205 9.9721 10.0334 10.0512 10.1883 10.2678 10.8319 10.8440 10.9297 10.9540 11.8218 11.8421 11.8761 11.9755 13.7373 13.7718 14.8483 14.8870 15.0589 15.0643 15.1785 15.2737 15.6748 15.6942 k = 0.0000 0.2576-0.0000 ( 2938 PWs) bands (ev): 2.6686 2.6687 5.1991 5.2023 6.1056 6.1268 6.4240 6.4630 6.9718 7.0261 7.4057 7.4205 7.6880 7.7297 7.7910 7.8018 7.8454 7.8545 8.0490 8.0764 8.0815 8.1010 8.1515 8.1905 8.2388 8.4024 8.4329 8.4493 8.6840 8.7193 8.9786 9.1065 9.1805 9.2080 9.3520 9.4727 9.7051 9.7097 9.8911 9.9530 10.0106 10.0376 10.1947 10.2671 10.8269 10.8308 10.9051 10.9431 11.8099 11.8295 11.8782 11.9846 13.7952 13.8319 14.7510 14.7882 14.9918 15.0026 15.1068 15.1985 15.7172 15.7308 k = 0.0000 0.2727-0.0000 ( 2938 PWs) bands (ev): 2.7214 2.7215 5.1213 5.1239 6.1088 6.1308 6.4267 6.4637 6.9529 7.0099 7.3932 7.4122 7.6952 7.7415 7.7958 7.8121 7.8691 7.8708 8.0393 8.0670 8.0717 8.0873 8.1431 8.1739 8.2385 8.4077 8.4486 8.4712 8.6966 8.7476 9.0002 9.1061 9.1967 9.2001 9.3651 9.4830 9.7187 9.7225 9.8583 9.9345 9.9846 10.0247 10.2097 10.2717 10.7987 10.8217 10.8895 10.9435 11.7956 11.8159 11.8819 11.9937 13.8304 13.8689 14.6561 14.6919 14.9276 14.9430 15.0387 15.1276 15.7912 15.7998 k = 0.0000 0.2879-0.0000 ( 2930 PWs) bands (ev): 2.7769 2.7770 5.0409 5.0430 6.1126 6.1352 6.4264 6.4614 6.9380 6.9976 7.3782 7.4020 7.7033 7.7524 7.8010 7.8163 7.8883 7.8980 8.0342 8.0535 8.0693 8.0754 8.1344 8.1580 8.2378 8.4061 8.4652 8.4982 8.7113 8.7783 9.0202 9.1028 9.1924 9.2135 9.3799 9.4943 9.7212 9.7365 9.8223 9.9169 9.9577 10.0122 10.2320 10.2809 10.7632 10.8006 10.8872 10.9513 11.7804 11.8017 11.8858 12.0023 13.8451 13.8847 14.5637 14.5984 14.8668 14.8864 14.9742 15.0610 15.8947 15.8994 k = 0.0000 0.3030-0.0000 ( 2938 PWs) bands (ev): 2.8351 2.8352 4.9583 4.9599 6.1169 6.1402 6.4231 6.4559 6.9271 6.9893 7.3607 7.3896 7.7124 7.7628 7.8063 7.8157 7.9092 7.9250 8.0325 8.0422 8.0657 8.0694 8.1254 8.1435 8.2370 8.4025 8.4817 8.5261 8.7278 8.8101 9.0380 9.0984 9.1847 9.2288 9.3962 9.5069 9.7167 9.7469 9.7841 9.9004 9.9322 9.9999 10.2599 10.2935 10.7238 10.7725 10.8933 10.9629 11.7650 11.7875 11.8892 12.0098 13.8427 13.8827 14.4742 14.5078 14.8099 14.8333 14.9135 14.9985 16.0240 16.0258 k = 0.0000 0.3182-0.0000 ( 2938 PWs) bands (ev): 2.8960 2.8961 4.8736 4.8749 6.1219 6.1457 6.4168 6.4478 6.9204 6.9849 7.3413 7.3752 7.7225 7.7732 7.8117 7.8127 7.9290 7.9489 8.0324 8.0334 8.0595 8.0731 8.1167 8.1316 8.2372 8.3996 8.4974 8.5529 8.7456 8.8425 9.0532 9.0936 9.1775 9.2415 9.4135 9.5209 9.7056 9.7418 9.7567 9.8853 9.9102 9.9879 10.2914 10.3082 10.6827 10.7428 10.9030 10.9760 11.7500 11.7739 11.8916 12.0156 13.8279 13.8673 14.3877 14.4205 14.7574 14.7844 14.8565 14.9402 16.1743 16.1748 k = 0.0000 0.3333-0.0000 ( 2930 PWs) bands (ev): 2.9594 2.9595 4.7872 4.7882 6.1275 6.1518 6.4079 6.4372 6.9178 6.9843 7.3202 7.3591 7.7332 7.7836 7.8090 7.8174 7.9455 7.9664 8.0264 8.0309 8.0588 8.0818 8.1094 8.1231 8.2395 8.3988 8.5118 8.5779 8.7645 8.8747 9.0657 9.0890 9.1709 9.2509 9.4306 9.5354 9.6897 9.7031 9.7606 9.8718 9.8929 9.9763 10.3226 10.3242 10.6422 10.7148 10.9140 10.9891 11.7360 11.7616 11.8927 12.0193 13.8050 13.8431 14.3047 14.3367 14.7094 14.7400 14.8033 14.8861 16.3405 16.3428 k = 0.0000 0.3485-0.0000 ( 2934 PWs) bands (ev): 3.0254 3.0255 4.6994 4.7002 6.1339 6.1585 6.3966 6.4245 6.9189 6.9870 7.2979 7.3414 7.7437 7.7934 7.8057 7.8237 7.9579 7.9756 8.0194 8.0264 8.0631 8.0949 8.1053 8.1185 8.2454 8.4011 8.5243 8.6004 8.7841 8.9064 9.0751 9.0852 9.1651 9.2565 9.4443 9.5463 9.6679 9.6732 9.7632 9.8602 9.8803 9.9651 10.3340 10.3544 10.6056 10.6913 10.9248 11.0008 11.7235 11.7512 11.8920 12.0206 13.7778 13.8137 14.2252 14.2566 14.6660 14.7003 14.7540 14.8360 16.5206 16.5243 k = 0.0000 0.3636-0.0000 ( 2926 PWs) bands (ev): 3.0938 3.0939 4.6104 4.6110 6.1410 6.1659 6.3834 6.4103 6.9234 6.9929 7.2747 7.3224 7.7537 7.8022 7.8037 7.8313 7.9666 7.9784 8.0120 8.0194 8.0669 8.1065 8.1099 8.1181 8.2570 8.4076 8.5348 8.6199 8.8042 8.9373 9.0815 9.0826 9.1604 9.2585 9.4500 9.5433 9.6481 9.6629 9.7642 9.8515 9.8716 9.9546 10.3389 10.3748 10.5795 10.6755 10.9344 11.0101 11.7133 11.7437 11.8894 12.0188 13.7495 13.7826 14.1497 14.1805 14.6274 14.6654 14.7087 14.7900 16.7113 16.7163 k = 0.0000 0.3788-0.0000 ( 2922 PWs) bands (ev): 3.1645 3.1647 4.5206 4.5210 6.1488 6.1740 6.3687 6.3949 6.9310 7.0013 7.2509 7.3023 7.7623 7.8035 7.8099 7.8400 7.9721 7.9776 8.0045 8.0113 8.0672 8.1111 8.1177 8.1273 8.2752 8.4191 8.5430 8.6361 8.8247 8.9669 9.0818 9.0848 9.1569 9.2567 9.4423 9.5178 9.6516 9.6655 9.7636 9.8464 9.8657 9.9448 10.3341 10.3749 10.5742 10.6699 10.9417 11.0156 11.7058 11.7398 11.8846 12.0138 13.7226 13.7523 14.0784 14.1085 14.5935 14.6353 14.6674 14.7480 16.9098 16.9160 k = 0.0000 0.3939-0.0000 ( 2910 PWs) bands (ev): 3.2376 3.2377 4.4302 4.4305 6.1575 6.1829 6.3531 6.3788 6.9413 7.0122 7.2267 7.2815 7.7691 7.8052 7.8166 7.8495 7.9745 7.9752 7.9974 8.0033 8.0664 8.1148 8.1215 8.1401 8.2998 8.4358 8.5486 8.6487 8.8455 8.9949 9.0836 9.0851 9.1550 9.2516 9.4209 9.4794 9.6680 9.6828 9.7619 9.8464 9.8621 9.9358 10.3184 10.3516 10.5921 10.6756 10.9458 11.0165 11.7017 11.7401 11.8775 12.0053 13.6992 13.7248 14.0118 14.0408 14.5643 14.6099 14.6302 14.7100 17.1133 17.1206 k = 0.0000 0.4091-0.0000 ( 2918 PWs) bands (ev): 3.3128 3.3129 4.3396 4.3398 6.1669 6.1924 6.3368 6.3621 6.9537 7.0249 7.2023 7.2600 7.7742 7.8080 7.8229 7.8588 7.9698 7.9760 7.9911 7.9966 8.0661 8.1157 8.1258 8.1501 8.3288 8.4573 8.5513 8.6572 8.8666 9.0203 9.0825 9.0888 9.1547 9.2433 9.3903 9.4371 9.6868 9.7112 9.7591 9.8533 9.8599 9.9279 10.2928 10.3132 10.6247 10.6909 10.9460 11.0120 11.7012 11.7451 11.8678 11.9931 13.6808 13.7017 13.9499 13.9777 14.5397 14.5891 14.5971 14.6760 17.3185 17.3255 k = 0.0000 0.4242-0.0000 ( 2926 PWs) bands (ev): 3.3901 3.3902 4.2489 4.2490 6.1771 6.2027 6.3202 6.3453 6.9682 7.0394 7.1780 7.2382 7.7786 7.8108 7.8292 7.8670 7.9643 7.9753 7.9858 7.9918 8.0672 8.1142 8.1308 8.1568 8.3601 8.4824 8.5511 8.6614 8.8880 9.0423 9.0768 9.0987 9.1564 9.2324 9.3553 9.3947 9.7032 9.7463 9.7556 9.8590 9.8689 9.9218 10.2596 10.2674 10.6641 10.7132 10.9419 11.0017 11.7046 11.7550 11.8558 11.9773 13.6683 13.6842 13.8933 13.9195 14.5198 14.5682 14.5728 14.6461 17.5025 17.5187 k = 0.0000 0.4394-0.0000 ( 2922 PWs) bands (ev): 3.4694 3.4695 4.1585 4.1586 6.1882 6.2138 6.3036 6.3287 6.9844 7.0554 7.1538 7.2163 7.7829 7.8124 7.8359 7.8729 7.9594 7.9740 7.9809 7.9886 8.0698 8.1110 8.1359 8.1605 8.3919 8.5100 8.5478 8.6613 8.9101 9.0607 9.0681 9.1136 9.1604 9.2192 9.3195 9.3540 9.7153 9.7517 9.7845 9.8590 9.8935 9.9187 10.2181 10.2213 10.7062 10.7399 10.9330 10.9855 11.7119 11.7696 11.8415 11.9583 13.6626 13.6731 13.8423 13.8664 14.5045 14.5436 14.5610 14.6202 17.5577 17.6158 k = 0.0000 0.4545-0.0000 ( 2918 PWs) bands (ev): 3.5505 3.5506 4.0686 4.0686 6.2001 6.2258 6.2871 6.3123 7.0021 7.0727 7.1301 7.1943 7.7874 7.8122 7.8430 7.8756 7.9565 7.9734 7.9762 7.9859 8.0735 8.1065 8.1412 8.1618 8.4227 8.5383 8.5411 8.6565 8.9327 9.0561 9.0769 9.1310 9.1670 9.2054 9.2855 9.3161 9.7234 9.7478 9.8207 9.8598 9.9218 9.9256 10.1671 10.1797 10.7490 10.7689 10.9196 10.9638 11.7228 11.7883 11.8254 11.9365 13.6640 13.6691 13.7972 13.8187 14.4937 14.5233 14.5536 14.5983 17.5834 17.6372 k = 0.0000 0.4697-0.0000 ( 2918 PWs) bands (ev): 3.6334 3.6335 3.9794 3.9794 6.2128 6.2384 6.2711 6.2963 7.0210 7.0911 7.1068 7.1727 7.7923 7.8102 7.8503 7.8747 7.9563 7.9714 7.9739 7.9833 8.0782 8.1012 8.1463 8.1610 8.4512 8.5308 8.5660 8.6469 8.9557 9.0408 9.0930 9.1443 9.1766 9.1964 9.2547 9.2818 9.7290 9.7439 9.8469 9.8609 9.9380 9.9631 10.1157 10.1362 10.7912 10.7986 10.9018 10.9369 11.7368 11.8078 11.8103 11.9124 13.6723 13.6726 13.7584 13.7767 14.4875 14.5073 14.5506 14.5805 17.6046 17.6563 k = 0.0000 0.4848-0.0000 ( 2906 PWs) bands (ev): 3.7179 3.7180 3.8910 3.8911 6.2264 6.2519 6.2556 6.2809 7.0412 7.0842 7.1105 7.1514 7.7974 7.8069 7.8578 7.8708 7.9585 7.9668 7.9755 7.9806 8.0837 8.0955 8.1512 8.1588 8.4767 8.5166 8.5916 8.6328 8.9790 9.0224 9.1100 9.1419 9.1897 9.2037 9.2284 9.2512 9.7332 9.7403 9.8586 9.8621 9.9716 10.0042 10.0648 10.0918 10.8277 10.8319 10.8801 10.9055 11.7531 11.7894 11.8348 11.8868 13.6830 13.6885 13.7263 13.7408 14.4858 14.4958 14.5518 14.5668 17.6229 17.6520 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): 3.8038 3.8038 3.8039 3.8039 6.2406 6.2406 6.2661 6.2661 7.0622 7.0622 7.1306 7.1306 7.8024 7.8024 7.8648 7.8648 7.9622 7.9622 7.9779 7.9779 8.0896 8.0896 8.1554 8.1554 8.4986 8.4986 8.6141 8.6141 9.0015 9.0015 9.1273 9.1273 9.2068 9.2068 9.2245 9.2245 9.7368 9.7368 9.8619 9.8619 10.0159 10.0159 10.0475 10.0475 10.8551 10.8551 10.8702 10.8702 11.7709 11.7709 11.8606 11.8606 13.7011 13.7011 13.7113 13.7113 14.4886 14.4886 14.5572 14.5572 17.6388 17.6388 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): 3.8038 3.8038 3.8039 3.8039 6.2406 6.2406 6.2661 6.2661 7.0622 7.0622 7.1306 7.1306 7.8024 7.8024 7.8648 7.8648 7.9622 7.9622 7.9779 7.9779 8.0896 8.0896 8.1554 8.1554 8.4986 8.4986 8.6141 8.6141 9.0015 9.0015 9.1273 9.1273 9.2068 9.2068 9.2245 9.2245 9.7368 9.7368 9.8619 9.8619 10.0159 10.0159 10.0475 10.0475 10.8551 10.8551 10.8702 10.8702 11.7709 11.7709 11.8606 11.8606 13.7011 13.7011 13.7113 13.7113 14.4886 14.4886 14.5572 14.5572 17.6388 17.6388 k = 0.0152 0.5000-0.0000 ( 2910 PWs) bands (ev): 3.8051 3.8051 3.8053 3.8053 6.2401 6.2401 6.2655 6.2655 7.0619 7.0619 7.1303 7.1303 7.8001 7.8001 7.8618 7.8618 7.9615 7.9615 7.9817 7.9817 8.0901 8.0901 8.1562 8.1562 8.4994 8.4994 8.6150 8.6150 9.0014 9.0014 9.1267 9.1267 9.2055 9.2055 9.2249 9.2249 9.7352 9.7352 9.8601 9.8601 10.0122 10.0122 10.0485 10.0485 10.8539 10.8539 10.8717 10.8717 11.7698 11.7698 11.8587 11.8587 13.7015 13.7015 13.7122 13.7122 14.4960 14.4960 14.5644 14.5644 17.6181 17.6181 k = 0.0303 0.5000-0.0000 ( 2916 PWs) bands (ev): 3.8091 3.8091 3.8093 3.8093 6.2386 6.2386 6.2639 6.2639 7.0607 7.0607 7.1293 7.1293 7.7936 7.7936 7.8532 7.8532 7.9619 7.9619 7.9901 7.9901 8.0916 8.0916 8.1588 8.1588 8.5020 8.5020 8.6179 8.6179 9.0011 9.0011 9.1249 9.1249 9.2019 9.2019 9.2258 9.2258 9.7305 9.7305 9.8545 9.8545 10.0031 10.0031 10.0500 10.0500 10.8512 10.8512 10.8751 10.8751 11.7666 11.7666 11.8532 11.8532 13.7026 13.7026 13.7148 13.7148 14.5182 14.5182 14.5858 14.5858 17.5616 17.5616 k = 0.0455 0.5000-0.0000 ( 2920 PWs) bands (ev): 3.8157 3.8157 3.8161 3.8161 6.2359 6.2359 6.2611 6.2611 7.0590 7.0590 7.1276 7.1276 7.7834 7.7834 7.8401 7.8401 7.9652 7.9652 7.9997 7.9997 8.0943 8.0943 8.1629 8.1629 8.5063 8.5063 8.6226 8.6226 9.0005 9.0005 9.1221 9.1221 9.1964 9.1964 9.2270 9.2270 9.7227 9.7227 9.8451 9.8451 9.9913 9.9913 10.0499 10.0499 10.8478 10.8478 10.8785 10.8785 11.7621 11.7621 11.8451 11.8451 13.7042 13.7042 13.7185 13.7185 14.5549 14.5549 14.6213 14.6213 17.4808 17.4808 k = 0.0606 0.5000-0.0000 ( 2916 PWs) bands (ev): 3.8250 3.8250 3.8255 3.8255 6.2322 6.2322 6.2571 6.2571 7.0567 7.0567 7.1255 7.1255 7.7705 7.7705 7.8237 7.8237 7.9708 7.9708 8.0093 8.0093 8.0979 8.0979 8.1683 8.1683 8.5121 8.5121 8.6291 8.6291 8.9993 8.9993 9.1184 9.1184 9.1894 9.1894 9.2284 9.2284 9.7118 9.7118 9.8317 9.8317 9.9785 9.9785 10.0476 10.0476 10.8435 10.8435 10.8807 10.8807 11.7576 11.7576 11.8355 11.8355 13.7058 13.7058 13.7227 13.7227 14.6056 14.6056 14.6705 14.6705 17.3857 17.3857 k = 0.0758 0.5000-0.0000 ( 2910 PWs) bands (ev): 3.8370 3.8370 3.8375 3.8375 6.2270 6.2270 6.2517 6.2517 7.0540 7.0540 7.1230 7.1230 7.7553 7.7553 7.8053 7.8053 7.9780 7.9780 8.0183 8.0183 8.1025 8.1025 8.1749 8.1749 8.5195 8.5195 8.6373 8.6373 8.9969 8.9969 9.1143 9.1143 9.1811 9.1811 9.2299 9.2299 9.6979 9.6979 9.8144 9.8144 9.9658 9.9658 10.0431 10.0431 10.8375 10.8375 10.8806 10.8806 11.7545 11.7545 11.8261 11.8261 13.7071 13.7071 13.7267 13.7267 14.6694 14.6694 14.7327 14.7327 17.2831 17.2831 k = 0.0909 0.5000-0.0000 ( 2926 PWs) bands (ev): 3.8516 3.8516 3.8522 3.8522 6.2204 6.2204 6.2447 6.2447 7.0510 7.0510 7.1202 7.1202 7.7384 7.7384 7.7855 7.7855 7.9858 7.9858 8.0266 8.0266 8.1075 8.1075 8.1822 8.1822 8.5281 8.5281 8.6469 8.6469 8.9928 8.9928 9.1099 9.1099 9.1717 9.1717 9.2314 9.2314 9.6811 9.6811 9.7933 9.7933 9.9536 9.9536 10.0363 10.0363 10.8289 10.8289 10.8774 10.8774 11.7542 11.7542 11.8186 11.8186 13.7076 13.7076 13.7299 13.7299 14.7452 14.7452 14.8071 14.8071 17.1770 17.1770 k = 0.1061 0.5000-0.0000 ( 2926 PWs) bands (ev): 3.8688 3.8688 3.8695 3.8695 6.2121 6.2121 6.2360 6.2360 7.0480 7.0480 7.1174 7.1174 7.7204 7.7204 7.7650 7.7650 7.9938 7.9938 8.0346 8.0346 8.1129 8.1129 8.1901 8.1901 8.5379 8.5379 8.6580 8.6580 8.9867 8.9867 9.1055 9.1055 9.1621 9.1621 9.2330 9.2330 9.6618 9.6618 9.7691 9.7691 9.9424 9.9424 10.0280 10.0280 10.8167 10.8167 10.8702 10.8702 11.7579 11.7579 11.8145 11.8145 13.7069 13.7069 13.7321 13.7321 14.8318 14.8318 14.8925 14.8925 17.0700 17.0700 k = 0.1212 0.5000-0.0000 ( 2922 PWs) bands (ev): 3.8886 3.8886 3.8894 3.8894 6.2019 6.2019 6.2253 6.2253 7.0452 7.0452 7.1147 7.1147 7.7015 7.7015 7.7442 7.7442 8.0017 8.0017 8.0425 8.0425 8.1182 8.1182 8.1982 8.1982 8.5487 8.5487 8.6702 8.6702 8.9782 8.9782 9.1010 9.1010 9.1532 9.1532 9.2343 9.2343 9.6401 9.6401 9.7424 9.7424 9.9321 9.9321 10.0183 10.0183 10.8003 10.8003 10.8588 10.8588 11.7663 11.7663 11.8156 11.8156 13.7050 13.7050 13.7329 13.7329 14.9278 14.9278 14.9875 14.9875 16.9636 16.9636 k = 0.1364 0.5000-0.0000 ( 2928 PWs) bands (ev): 3.9109 3.9109 3.9119 3.9119 6.1896 6.1896 6.2124 6.2124 7.0429 7.0429 7.1124 7.1124 7.6819 7.6819 7.7233 7.7233 8.0089 8.0089 8.0503 8.0503 8.1231 8.1231 8.2060 8.2060 8.5602 8.5602 8.6833 8.6833 8.9673 8.9673 9.0955 9.0955 9.1460 9.1460 9.2353 9.2353 9.6167 9.6167 9.7138 9.7138 9.9225 9.9225 10.0077 10.0077 10.7791 10.7791 10.8428 10.8428 11.7800 11.7800 11.8228 11.8228 13.7017 13.7017 13.7322 13.7322 15.0314 15.0314 15.0906 15.0906 16.8588 16.8588 k = 0.1515 0.5000-0.0000 ( 2928 PWs) bands (ev): 3.9358 3.9358 3.9369 3.9369 6.1750 6.1750 6.1971 6.1971 7.0412 7.0412 7.1107 7.1107 7.6621 7.6621 7.7027 7.7027 8.0154 8.0154 8.0582 8.0582 8.1275 8.1275 8.2136 8.2136 8.5722 8.5722 8.6971 8.6971 8.9545 8.9545 9.0884 9.0884 9.1418 9.1418 9.2356 9.2356 9.5919 9.5919 9.6841 9.6841 9.9135 9.9135 9.9964 9.9964 10.7534 10.7534 10.8222 10.8222 11.7988 11.7988 11.8370 11.8370 13.6971 13.6971 13.7300 13.7300 15.1409 15.1409 15.1999 15.1999 16.7562 16.7562 k = 0.1667 0.5000-0.0000 ( 2932 PWs) bands (ev): 3.9632 3.9632 3.9645 3.9645 6.1577 6.1577 6.1790 6.1790 7.0403 7.0403 7.1099 7.1099 7.6423 7.6423 7.6824 7.6824 8.0210 8.0210 8.0662 8.0662 8.1311 8.1311 8.2206 8.2206 8.5845 8.5845 8.7114 8.7114 8.9404 8.9404 9.0796 9.0796 9.1407 9.1407 9.2348 9.2348 9.5662 9.5662 9.6537 9.6537 9.9052 9.9052 9.9848 9.9848 10.7236 10.7236 10.7974 10.7974 11.8224 11.8224 11.8583 11.8583 13.6909 13.6909 13.7262 13.7262 15.2541 15.2541 15.3133 15.3133 16.6561 16.6561 k = 0.1818 0.5000-0.0000 ( 2934 PWs) bands (ev): 3.9931 3.9931 3.9945 3.9945 6.1376 6.1376 6.1581 6.1581 7.0406 7.0406 7.1100 7.1100 7.6227 7.6227 7.6627 7.6627 8.0256 8.0256 8.0739 8.0739 8.1339 8.1339 8.2269 8.2269 8.5969 8.5969 8.7257 8.7257 8.9257 8.9257 9.0701 9.0701 9.1420 9.1420 9.2327 9.2327 9.5404 9.5404 9.6232 9.6232 9.8973 9.8973 9.9731 9.9731 10.6903 10.6903 10.7687 10.7687 11.8508 11.8508 11.8863 11.8863 13.6834 13.6834 13.7209 13.7209 15.3687 15.3687 15.4285 15.4285 16.5590 16.5590 k = 0.1970 0.5000-0.0000 ( 2934 PWs) bands (ev): 4.0254 4.0254 4.0269 4.0269 6.1146 6.1146 6.1342 6.1342 7.0420 7.0420 7.1112 7.1112 7.6034 7.6034 7.6436 7.6436 8.0291 8.0291 8.0811 8.0811 8.1358 8.1358 8.2325 8.2325 8.6092 8.6092 8.7396 8.7396 8.9115 8.9115 9.0609 9.0609 9.1449 9.1449 9.2289 9.2289 9.5151 9.5151 9.5931 9.5931 9.8901 9.8901 9.9613 9.9613 10.6543 10.6543 10.7369 10.7369 11.8837 11.8837 11.9202 11.9202 13.6746 13.6746 13.7140 13.7140 15.4813 15.4813 15.5422 15.5422 16.4649 16.4649 k = 0.2121 0.5000-0.0000 ( 2938 PWs) bands (ev): 4.0600 4.0600 4.0617 4.0617 6.0884 6.0884 6.1070 6.1070 7.0449 7.0449 7.1137 7.1137 7.5846 7.5846 7.6252 7.6252 8.0313 8.0313 8.0871 8.0871 8.1372 8.1372 8.2375 8.2375 8.6211 8.6211 8.7523 8.7523 8.8986 8.8986 9.0527 9.0527 9.1486 9.1486 9.2229 9.2229 9.4905 9.4905 9.5639 9.5639 9.8833 9.8833 9.9498 9.9498 10.6162 10.6162 10.7024 10.7024 11.9208 11.9208 11.9591 11.9591 13.6643 13.6643 13.7057 13.7057 15.5880 15.5880 15.6505 15.6505 16.3739 16.3739 k = 0.2273 0.5000-0.0000 ( 2934 PWs) bands (ev): 4.0970 4.0970 4.0989 4.0989 6.0589 6.0589 6.0767 6.0767 7.0492 7.0492 7.1177 7.1177 7.5664 7.5664 7.6076 7.6076 8.0320 8.0320 8.0912 8.0912 8.1384 8.1384 8.2421 8.2421 8.6325 8.6325 8.7632 8.7632 8.8885 8.8885 9.0461 9.0461 9.1523 9.1523 9.2146 9.2146 9.4673 9.4673 9.5363 9.5363 9.8771 9.8771 9.9387 9.9387 10.5769 10.5769 10.6659 10.6659 11.9619 11.9619 12.0022 12.0022 13.6527 13.6527 13.6959 13.6959 15.6838 15.6838 15.7480 15.7480 16.2863 16.2863 k = 0.2424 0.5000-0.0000 ( 2938 PWs) bands (ev): 4.1363 4.1363 4.1383 4.1383 6.0262 6.0262 6.0430 6.0430 7.0550 7.0550 7.1230 7.1230 7.5489 7.5489 7.5908 7.5908 8.0308 8.0308 8.0924 8.0924 8.1405 8.1405 8.2467 8.2467 8.6431 8.6431 8.7710 8.7710 8.8823 8.8823 9.0415 9.0415 9.1555 9.1555 9.2042 9.2042 9.4453 9.4453 9.5109 9.5109 9.8714 9.8714 9.9280 9.9280 10.5367 10.5367 10.6280 10.6280 12.0065 12.0065 12.0486 12.0486 13.6397 13.6397 13.6846 13.6846 15.7625 15.7625 15.8287 15.8287 16.2023 16.2023 k = 0.2576 0.5000-0.0000 ( 2938 PWs) bands (ev): 4.1777 4.1777 4.1799 4.1799 5.9902 5.9902 6.0060 6.0060 7.0624 7.0624 7.1298 7.1298 7.5322 7.5322 7.5748 7.5748 8.0275 8.0275 8.0898 8.0898 8.1440 8.1440 8.2516 8.2516 8.6529 8.6529 8.7752 8.7752 8.8809 8.8809 9.0388 9.0388 9.1568 9.1568 9.1927 9.1927 9.4246 9.4246 9.4885 9.4885 9.8664 9.8664 9.9181 9.9181 10.4963 10.4963 10.5893 10.5893 12.0541 12.0541 12.0978 12.0978 13.6254 13.6254 13.6718 13.6718 15.8184 15.8184 15.8863 15.8863 16.1226 16.1226 k = 0.2727 0.5000-0.0000 ( 2930 PWs) bands (ev): 4.2213 4.2213 4.2236 4.2236 5.9510 5.9510 5.9659 5.9659 7.0711 7.0711 7.1379 7.1379 7.5163 7.5163 7.5597 7.5597 8.0220 8.0220 8.0836 8.0836 8.1493 8.1493 8.2572 8.2572 8.6617 8.6617 8.7760 8.7760 8.8841 8.8841 9.0376 9.0376 9.1538 9.1538 9.1832 9.1832 9.4050 9.4050 9.4697 9.4697 9.8621 9.8621 9.9090 9.9090 10.4561 10.4561 10.5501 10.5501 12.1043 12.1043 12.1492 12.1492 13.6097 13.6097 13.6574 13.6574 15.8478 15.8478 15.9158 15.9158 16.0492 16.0492 k = 0.2879 0.5000-0.0000 ( 2938 PWs) bands (ev): 4.2669 4.2669 4.2695 4.2695 5.9086 5.9086 5.9226 5.9226 7.0813 7.0813 7.1473 7.1473 7.5011 7.5011 7.5453 7.5453 8.0142 8.0142 8.0740 8.0740 8.1559 8.1559 8.2635 8.2635 8.6693 8.6693 8.7747 8.7747 8.8903 8.8903 9.0371 9.0371 9.1441 9.1441 9.1786 9.1786 9.3867 9.3867 9.4543 9.4543 9.8584 9.8584 9.9009 9.9009 10.4162 10.4162 10.5107 10.5107 12.1565 12.1565 12.2023 12.2023 13.5926 13.5926 13.6415 13.6415 15.8497 15.8497 15.9108 15.9108 15.9896 15.9896 k = 0.3030 0.5000-0.0000 ( 2942 PWs) bands (ev): 4.3145 4.3145 4.3172 4.3172 5.8632 5.8632 5.8765 5.8765 7.0927 7.0927 7.1580 7.1580 7.4866 7.4866 7.5316 7.5316 8.0042 8.0042 8.0620 8.0620 8.1635 8.1635 8.2706 8.2706 8.6755 8.6755 8.7729 8.7729 8.8976 8.8976 9.0357 9.0357 9.1315 9.1315 9.1774 9.1774 9.3700 9.3700 9.4421 9.4421 9.8553 9.8553 9.8941 9.8941 10.3772 10.3772 10.4715 10.4715 12.2104 12.2104 12.2567 12.2567 13.5740 13.5740 13.6240 13.6240 15.8261 15.8261 15.8680 15.8680 15.9502 15.9502 k = 0.3182 0.5000-0.0000 ( 2942 PWs) bands (ev): 4.3640 4.3640 4.3669 4.3669 5.8151 5.8151 5.8276 5.8276 7.1053 7.1053 7.1696 7.1696 7.4728 7.4728 7.5186 7.5186 7.9926 7.9926 8.0480 8.0480 8.1722 8.1722 8.2786 8.2786 8.6803 8.6803 8.7719 8.7719 8.9045 8.9045 9.0312 9.0312 9.1210 9.1210 9.1771 9.1771 9.3556 9.3556 9.4324 9.4324 9.8530 9.8530 9.8887 9.8887 10.3392 10.3392 10.4328 10.4328 12.2653 12.2653 12.3120 12.3120 13.5541 13.5541 13.6049 13.6049 15.7820 15.7820 15.8101 15.8101 15.9150 15.9150 k = 0.3333 0.5000-0.0000 ( 2934 PWs) bands (ev): 4.4152 4.4152 4.4183 4.4183 5.7645 5.7645 5.7762 5.7762 7.1190 7.1190 7.1822 7.1822 7.4597 7.4597 7.5061 7.5061 7.9797 7.9797 8.0327 8.0327 8.1816 8.1816 8.2871 8.2871 8.6834 8.6834 8.7723 8.7723 8.9095 8.9095 9.0216 9.0216 9.1160 9.1160 9.1770 9.1770 9.3439 9.3439 9.4245 9.4245 9.8514 9.8514 9.8849 9.8849 10.3025 10.3025 10.3948 10.3948 12.3211 12.3211 12.3678 12.3678 13.5328 13.5328 13.5842 13.5842 15.7269 15.7269 15.7507 15.7507 15.8798 15.8798 k = 0.3485 0.5000-0.0000 ( 2948 PWs) bands (ev): 4.4681 4.4681 4.4714 4.4714 5.7116 5.7116 5.7226 5.7226 7.1335 7.1335 7.1955 7.1955 7.4470 7.4470 7.4938 7.4938 7.9661 7.9661 8.0164 8.0164 8.1918 8.1918 8.2957 8.2957 8.6850 8.6850 8.7743 8.7743 8.9113 8.9113 9.0073 9.0073 9.1168 9.1168 9.1772 9.1772 9.3351 9.3351 9.4177 9.4177 9.8504 9.8504 9.8825 9.8825 10.2672 10.2672 10.3576 10.3576 12.3770 12.3770 12.4235 12.4235 13.5102 13.5102 13.5618 13.5618 15.6694 15.6694 15.6923 15.6923 15.8463 15.8463 k = 0.3636 0.5000-0.0000 ( 2948 PWs) bands (ev): 4.5224 4.5224 4.5259 4.5259 5.6566 5.6566 5.6670 5.6670 7.1487 7.1487 7.2093 7.2093 7.4348 7.4348 7.4820 7.4820 7.9524 7.9524 7.9998 7.9998 8.2026 8.2026 8.3043 8.3043 8.6854 8.6854 8.7778 8.7778 8.9090 8.9090 8.9908 8.9908 9.1217 9.1217 9.1782 9.1782 9.3292 9.3292 9.4116 9.4116 9.8502 9.8502 9.8819 9.8819 10.2337 10.2337 10.3216 10.3216 12.4328 12.4328 12.4788 12.4788 13.4864 13.4864 13.5378 13.5378 15.6137 15.6137 15.6359 15.6359 15.8149 15.8149 k = 0.3788 0.5000-0.0000 ( 2948 PWs) bands (ev): 4.5781 4.5781 4.5818 4.5818 5.6000 5.6000 5.6098 5.6098 7.1645 7.1645 7.2234 7.2234 7.4231 7.4231 7.4702 7.4702 7.9391 7.9391 7.9833 7.9833 8.2141 8.2141 8.3122 8.3122 8.6853 8.6853 8.7824 8.7824 8.9021 8.9021 8.9744 8.9744 9.1291 9.1291 9.1804 9.1804 9.3258 9.3258 9.4059 9.4059 9.8509 9.8509 9.8828 9.8828 10.2023 10.2023 10.2869 10.2869 12.4879 12.4879 12.5329 12.5329 13.4617 13.4617 13.5124 13.5124 15.5617 15.5617 15.5826 15.5826 15.7861 15.7861 k = 0.3939 0.5000-0.0000 ( 2944 PWs) bands (ev): 4.6348 4.6348 4.6388 4.6388 5.5420 5.5420 5.5512 5.5512 7.1806 7.1806 7.2375 7.2375 7.4117 7.4117 7.4585 7.4585 7.9269 7.9269 7.9673 7.9673 8.2261 8.2261 8.3192 8.3192 8.6852 8.6852 8.7873 8.7873 8.8909 8.8909 8.9593 8.9593 9.1379 9.1379 9.1837 9.1837 9.3246 9.3246 9.4004 9.4004 9.8528 9.8528 9.8850 9.8850 10.1733 10.1733 10.2536 10.2536 12.5416 12.5416 12.5852 12.5852 13.4364 13.4364 13.4857 13.4857 15.5144 15.5144 15.5336 15.5336 15.7602 15.7602 k = 0.4091 0.5000-0.0000 ( 2950 PWs) bands (ev): 4.6924 4.6924 4.6966 4.6966 5.4831 5.4831 5.4917 5.4917 7.1970 7.1970 7.2515 7.2515 7.4006 7.4006 7.4466 7.4466 7.9160 7.9160 7.9522 7.9522 8.2384 8.2384 8.3246 8.3246 8.6858 8.6858 8.7913 8.7913 8.8774 8.8774 8.9457 8.9457 9.1471 9.1471 9.1875 9.1875 9.3252 9.3252 9.3947 9.3947 9.8557 9.8557 9.8881 9.8881 10.1471 10.1471 10.2221 10.2221 12.5932 12.5932 12.6349 12.6349 13.4111 13.4111 13.4581 13.4581 15.4724 15.4724 15.4894 15.4894 15.7377 15.7377 k = 0.4242 0.5000-0.0000 ( 2950 PWs) bands (ev): 4.7504 4.7504 4.7548 4.7548 5.4238 5.4238 5.4319 5.4319 7.2133 7.2133 7.2648 7.2648 7.3902 7.3902 7.4346 7.4346 7.9069 7.9069 7.9382 7.9382 8.2511 8.2511 8.3281 8.3281 8.6878 8.6878 8.7927 8.7927 8.8649 8.8649 8.9331 8.9331 9.1564 9.1564 9.1913 9.1913 9.3274 9.3274 9.3888 9.3888 9.8598 9.8598 9.8916 9.8916 10.1245 10.1245 10.1926 10.1926 12.6419 12.6419 12.6806 12.6806 13.3865 13.3865 13.4302 13.4302 15.4363 15.4363 15.4509 15.4509 15.7188 15.7188 k = 0.4394 0.5000-0.0000 ( 2954 PWs) bands (ev): 4.8082 4.8082 4.8127 4.8127 5.3649 5.3649 5.3724 5.3724 7.2293 7.2293 7.2766 7.2766 7.3808 7.3808 7.4225 7.4225 7.8998 7.8998 7.9257 7.9257 8.2637 8.2637 8.3293 8.3293 8.6918 8.6918 8.7885 8.7885 8.8573 8.8573 8.9210 8.9210 9.1654 9.1654 9.1944 9.1944 9.3310 9.3310 9.3825 9.3825 9.8651 9.8651 9.8949 9.8949 10.1061 10.1061 10.1655 10.1655 12.6866 12.6866 12.7211 12.7211 13.3640 13.3640 13.4028 13.4028 15.4064 15.4064 15.4183 15.4183 15.7035 15.7035 k = 0.4545 0.5000-0.0000 ( 2962 PWs) bands (ev): 4.8645 4.8645 4.8690 4.8690 5.3078 5.3078 5.3145 5.3145 7.2448 7.2448 7.2859 7.2859 7.3734 7.3734 7.4104 7.4104 7.8949 7.8949 7.9149 7.9149 8.2762 8.2762 8.3279 8.3279 8.6982 8.6982 8.7779 8.7779 8.8566 8.8566 8.9094 8.9094 9.1738 9.1738 9.1963 9.1963 9.3357 9.3357 9.3759 9.3759 9.8713 9.8713 9.8971 9.8971 10.0928 10.0928 10.1412 10.1412 12.7259 12.7259 12.7545 12.7545 13.3450 13.3450 13.3771 13.3771 15.3831 15.3831 15.3923 15.3923 15.6921 15.6921 k = 0.4697 0.5000-0.0000 ( 2972 PWs) bands (ev): 4.9169 4.9169 4.9211 4.9211 5.2553 5.2553 5.2609 5.2609 7.2594 7.2594 7.2909 7.2909 7.3698 7.3698 7.3985 7.3985 7.8923 7.8923 7.9059 7.9059 8.2882 8.2882 8.3240 8.3240 8.7072 8.7072 8.7633 8.7633 8.8610 8.8610 8.8982 8.8982 9.1811 9.1811 9.1966 9.1966 9.3415 9.3415 9.3691 9.3691 9.8780 9.8780 9.8973 9.8973 10.0857 10.0857 10.1202 10.1202 12.7579 12.7579 12.7788 12.7788 13.3313 13.3313 13.3546 13.3546 15.3668 15.3668 15.3730 15.3730 15.6846 15.6846 k = 0.4848 0.5000-0.0000 ( 2968 PWs) bands (ev): 4.9593 4.9593 4.9622 4.9622 5.2140 5.2140 5.2176 5.2176 7.2726 7.2726 7.2899 7.2899 7.3714 7.3714 7.3873 7.3873 7.8922 7.8922 7.8991 7.8991 8.2995 8.2995 8.3177 8.3177 8.7187 8.7187 8.7476 8.7476 8.8685 8.8685 8.8875 8.8875 9.1874 9.1874 9.1952 9.1952 9.3480 9.3480 9.3620 9.3620 9.8848 9.8848 9.8952 9.8952 10.0853 10.0853 10.1033 10.1033 12.7808 12.7808 12.7918 12.7918 13.3250 13.3250 13.3373 13.3373 15.3576 15.3576 15.3607 15.3607 15.6810 15.6810 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): 4.9782 4.9782 4.9782 4.9782 5.1981 5.1981 5.1981 5.1981 7.2832 7.2832 7.2832 7.2832 7.3778 7.3778 7.3778 7.3778 7.8945 7.8945 7.8945 7.8945 8.3094 8.3094 8.3094 8.3094 8.7323 8.7323 8.7323 8.7323 8.8775 8.8775 8.8775 8.8775 9.1921 9.1921 9.1921 9.1921 9.3549 9.3549 9.3549 9.3549 9.8908 9.8908 9.8908 9.8908 10.0914 10.0914 10.0914 10.0914 12.7925 12.7925 12.7925 12.7925 13.3270 13.3270 13.3270 13.3270 15.3555 15.3555 15.3555 15.3555 15.6813 15.6813 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): 4.9782 4.9782 4.9782 4.9782 5.1981 5.1981 5.1981 5.1981 7.2832 7.2832 7.2832 7.2832 7.3778 7.3778 7.3778 7.3778 7.8945 7.8945 7.8945 7.8945 8.3094 8.3094 8.3094 8.3094 8.7323 8.7323 8.7323 8.7323 8.8775 8.8775 8.8775 8.8775 9.1921 9.1921 9.1921 9.1921 9.3549 9.3549 9.3549 9.3549 9.8908 9.8908 9.8908 9.8908 10.0914 10.0914 10.0914 10.0914 12.7925 12.7925 12.7925 12.7925 13.3270 13.3270 13.3270 13.3270 15.3555 15.3555 15.3555 15.3555 15.6813 15.6813 k = 0.4891 0.4891-0.0000 ( 2968 PWs) bands (ev): 4.9426 4.9440 4.9788 4.9791 5.1991 5.1992 5.2308 5.2329 7.2613 7.2697 7.2937 7.3007 7.3582 7.3685 7.3915 7.3999 7.8901 7.8946 7.8969 7.8993 8.2980 8.3056 8.3109 8.3198 8.7142 8.7195 8.7457 8.7493 8.8637 8.8682 8.8873 8.8938 9.1810 9.1845 9.1992 9.2030 9.3424 9.3510 9.3594 9.3692 9.8832 9.8898 9.8926 9.8959 10.0858 10.0880 10.0973 10.1050 12.7649 12.7764 12.7893 12.7938 13.3237 13.3264 13.3438 13.3540 15.3542 15.3552 15.3610 15.3641 15.6802 15.6812 k = 0.4783 0.4783-0.0000 ( 2968 PWs) bands (ev): 4.8684 4.8701 4.9808 4.9813 5.2023 5.2025 5.3006 5.3037 7.2372 7.2536 7.2993 7.3114 7.3434 7.3641 7.4098 7.4235 7.8857 7.8964 7.9018 7.9055 8.2849 8.2995 8.3100 8.3297 8.6950 8.7086 8.7550 8.7662 8.8539 8.8605 8.8976 8.9116 9.1699 9.1763 9.2059 9.2134 9.3318 9.3475 9.3649 9.3849 9.8723 9.8881 9.8936 9.9029 10.0862 10.0873 10.1075 10.1259 12.7120 12.7359 12.7700 12.7810 13.3315 13.3368 13.3843 13.4046 15.3542 15.3565 15.3770 15.3838 15.6810 15.6827 k = 0.4674 0.4674-0.0000 ( 2958 PWs) bands (ev): 4.7819 4.7836 4.9841 4.9848 5.2076 5.2080 5.3807 5.3845 7.2123 7.2356 7.2972 7.3143 7.3361 7.3650 7.4318 7.4478 7.8813 7.8987 7.9093 7.9142 8.2700 8.2911 8.3078 8.3399 8.6751 8.6992 8.7557 8.7830 8.8462 8.8599 8.9087 8.9303 9.1592 9.1675 9.2122 9.2233 9.3232 9.3446 9.3721 9.4016 9.8597 9.8801 9.8991 9.9129 10.0859 10.0927 10.1247 10.1530 12.6425 12.6743 12.7410 12.7580 13.3454 13.3536 13.4444 13.4705 15.3550 15.3584 15.4044 15.4146 15.6828 15.6856 k = 0.4565 0.4565-0.0000 ( 2952 PWs) bands (ev): 4.6908 4.6923 4.9888 4.9898 5.2151 5.2156 5.4630 5.4674 7.1876 7.2163 7.2885 7.3111 7.3355 7.3696 7.4561 7.4722 7.8768 7.9007 7.9196 7.9258 8.2535 8.2801 8.3054 8.3504 8.6548 8.6903 8.7475 8.7961 8.8403 8.8692 8.9199 8.9501 9.1494 9.1580 9.2179 9.2330 9.3160 9.3423 9.3814 9.4192 9.8462 9.8683 9.9082 9.9254 10.0867 10.0994 10.1498 10.1854 12.5634 12.5997 12.7048 12.7266 13.3643 13.3745 13.5162 13.5446 15.3566 15.3610 15.4426 15.4556 15.6855 15.6899 k = 0.4457 0.4457-0.0000 ( 2948 PWs) bands (ev): 4.5975 4.5989 4.9949 4.9961 5.2246 5.2252 5.5450 5.5501 7.1638 7.1966 7.2773 7.3045 7.3370 7.3758 7.4813 7.4965 7.8724 7.9021 7.9322 7.9402 8.2362 8.2668 8.3036 8.3613 8.6344 8.6811 8.7335 8.7983 8.8433 8.8843 8.9304 8.9709 9.1407 9.1480 9.2228 9.2429 9.3098 9.3413 9.3933 9.4372 9.8327 9.8545 9.9206 9.9402 10.0886 10.1069 10.1825 10.2229 12.4790 12.5177 12.6630 12.6885 13.3868 13.3986 13.5940 13.6228 15.3591 15.3643 15.4904 15.5052 15.6896 15.6964 k = 0.4348 0.4348-0.0000 ( 2948 PWs) bands (ev): 4.5033 4.5045 5.0023 5.0038 5.2362 5.2369 5.6255 5.6314 7.1412 7.1771 7.2656 7.2962 7.3385 7.3826 7.5064 7.5207 7.8681 7.9030 7.9469 7.9568 8.2186 8.2522 8.3026 8.3725 8.6138 8.6707 8.7164 8.7896 8.8550 8.9019 8.9389 8.9926 9.1341 9.1378 9.2269 9.2532 9.3048 9.3420 9.4077 9.4555 9.8194 9.8396 9.9359 9.9571 10.0914 10.1149 10.2220 10.2652 12.3916 12.4315 12.6172 12.6452 13.4120 13.4250 13.6748 13.7026 15.3627 15.3686 15.5461 15.5604 15.6957 15.7075 k = 0.4239 0.4239-0.0000 ( 2944 PWs) bands (ev): 4.4087 4.4098 5.0111 5.0128 5.2498 5.2507 5.7040 5.7107 7.1202 7.1585 7.2538 7.2867 7.3394 7.3893 7.5304 7.5447 7.8642 7.9035 7.9629 7.9753 8.2012 8.2374 8.3022 8.3836 8.5934 8.6589 8.6979 8.7761 8.8685 8.9202 8.9446 9.0142 9.1278 9.1305 9.2301 9.2626 9.3027 9.3449 9.4244 9.4741 9.8068 9.8246 9.9538 9.9760 10.0952 10.1235 10.2680 10.3126 12.3028 12.3430 12.5684 12.5984 13.4394 13.4533 13.7565 13.7825 15.3675 15.3738 15.6044 15.6149 15.7068 15.7296 k = 0.4130 0.4130-0.0000 ( 2948 PWs) bands (ev): 4.3141 4.3151 5.0212 5.0232 5.2654 5.2663 5.7799 5.7875 7.1010 7.1413 7.2417 7.2763 7.3401 7.3960 7.5528 7.5682 7.8609 7.9037 7.9795 7.9950 8.1845 8.2235 8.3022 8.3944 8.5733 8.6454 8.6790 8.7610 8.8801 8.9378 8.9468 9.0339 9.1185 9.1311 9.2323 9.2670 9.3079 9.3505 9.4431 9.4929 9.7951 9.8098 9.9737 9.9966 10.0998 10.1328 10.3202 10.3651 12.2135 12.2534 12.5179 12.5490 13.4683 13.4833 13.8380 13.8616 15.3736 15.3802 15.6474 15.6597 15.7353 15.7748 k = 0.4022 0.4022-0.0000 ( 2952 PWs) bands (ev): 4.2199 4.2209 5.0326 5.0349 5.2827 5.2838 5.8530 5.8617 7.0840 7.1258 7.2293 7.2649 7.3410 7.4026 7.5733 7.5910 7.8584 7.9038 7.9959 8.0153 8.1687 8.2114 8.3024 8.4039 8.5542 8.6302 8.6604 8.7451 8.8881 8.9453 8.9543 9.0503 9.1105 9.1368 9.2340 9.2644 9.3228 9.3593 9.4633 9.5117 9.7844 9.7959 9.9948 10.0189 10.1053 10.1428 10.3785 10.4230 12.1243 12.1635 12.4664 12.4982 13.4985 13.5148 13.9187 13.9393 15.3809 15.3877 15.6681 15.6827 15.7963 15.8444 k = 0.3913 0.3913-0.0000 ( 2950 PWs) bands (ev): 4.1263 4.1272 5.0454 5.0480 5.3019 5.3030 5.9231 5.9329 7.0693 7.1122 7.2163 7.2526 7.3425 7.4094 7.5919 7.6125 7.8571 7.9041 8.0112 8.0358 8.1542 8.2022 8.3024 8.4111 8.5370 8.6134 8.6428 8.7294 8.8911 8.9411 8.9679 9.0629 9.1044 9.1469 9.2355 9.2582 9.3441 9.3717 9.4848 9.5308 9.7747 9.7834 10.0165 10.0428 10.1118 10.1537 10.4433 10.4866 12.0359 12.0739 12.4147 12.4467 13.5297 13.5477 13.9979 14.0152 15.3896 15.3964 15.6790 15.6932 15.8748 15.9280 k = 0.3804 0.3804-0.0000 ( 2948 PWs) bands (ev): 4.0337 4.0345 5.0594 5.0623 5.3227 5.3240 5.9899 6.0009 7.0570 7.1009 7.2026 7.2394 7.3449 7.4165 7.6082 7.6323 7.8573 7.9047 8.0244 8.0556 8.1415 8.1964 8.3018 8.4138 8.5234 8.5954 8.6266 8.7141 8.8886 8.9345 8.9779 9.0729 9.1005 9.1591 9.2369 9.2512 9.3690 9.3884 9.5071 9.5498 9.7659 9.7734 10.0377 10.0680 10.1194 10.1654 10.5144 10.5560 11.9484 11.9849 12.3636 12.3954 13.5616 13.5818 14.0755 14.0890 15.3995 15.4062 15.6857 15.6999 15.9587 16.0176 k = 0.3696 0.3696-0.0000 ( 2936 PWs) bands (ev): 3.9421 3.9428 5.0747 5.0780 5.3451 5.3465 6.0532 6.0656 7.0474 7.0920 7.1884 7.2254 7.3487 7.4240 7.6221 7.6498 7.8595 7.9059 8.0348 8.0737 8.1314 8.1946 8.3003 8.4096 8.5158 8.5769 8.6119 8.6998 8.8810 8.9256 8.9834 9.0816 9.0989 9.1704 9.2356 9.2484 9.3949 9.4106 9.5299 9.5689 9.7576 9.7668 10.0577 10.0940 10.1287 10.1783 10.5918 10.6315 11.8625 11.8970 12.3135 12.3447 13.5942 13.6169 14.1512 14.1608 15.4107 15.4171 15.6897 15.7047 16.0404 16.0968 k = 0.3587 0.3587-0.0000 ( 2934 PWs) bands (ev): 3.8518 3.8525 5.0913 5.0949 5.3690 5.3704 6.1129 6.1269 7.0406 7.0855 7.1737 7.2109 7.3539 7.4320 7.6330 7.6646 7.8639 7.9080 8.0418 8.0877 8.1260 8.1968 8.2972 8.3975 8.5142 8.5591 8.5986 8.6866 8.8693 8.9144 8.9841 9.0884 9.0996 9.1780 9.2296 9.2537 9.4203 9.4389 9.5528 9.5880 9.7506 9.7636 10.0757 10.1187 10.1412 10.1924 10.6756 10.7130 11.7782 11.8106 12.2650 12.2952 13.6271 13.6527 14.2249 14.2305 15.4231 15.4289 15.6909 15.7075 16.1094 16.1472 k = 0.3478 0.3478-0.0000 ( 2934 PWs) bands (ev): 3.7629 3.7635 5.1091 5.1130 5.3942 5.3957 6.1689 6.1844 7.0366 7.0814 7.1588 7.1960 7.3605 7.4408 7.6410 7.6762 7.8706 7.9112 8.0458 8.0935 8.1296 8.2024 8.2922 8.3792 8.5158 8.5437 8.5869 8.6748 8.8549 8.9008 8.9799 9.0924 9.1023 9.1804 9.2245 9.2636 9.4461 9.4712 9.5753 9.6069 9.7461 9.7635 10.0912 10.1379 10.1606 10.2082 10.7654 10.8004 11.6961 11.7260 12.2184 12.2474 13.6599 13.6890 14.2955 14.2994 15.4365 15.4415 15.6882 15.7076 16.1506 16.1755 k = 0.3370 0.3370-0.0000 ( 2950 PWs) bands (ev): 3.6755 3.6761 5.1281 5.1323 5.4206 5.4222 6.2209 6.2381 7.0354 7.0795 7.1442 7.1813 7.3684 7.4501 7.6458 7.6844 7.8796 7.9154 8.0472 8.0923 8.1405 8.2104 8.2847 8.3570 8.5139 8.5352 8.5774 8.6645 8.8388 8.8850 8.9715 9.0936 9.1044 9.1777 9.2227 9.2762 9.4733 9.5054 9.5967 9.6260 9.7448 9.7666 10.1042 10.1518 10.1857 10.2257 10.8611 10.8936 11.6163 11.6435 12.1741 12.2017 13.6921 13.7252 14.3614 14.3690 15.4499 15.4550 15.6798 15.7032 16.1539 16.1747 k = 0.3261 0.3261-0.0000 ( 2942 PWs) bands (ev): 3.5899 3.5905 5.1483 5.1529 5.4481 5.4498 6.2690 6.2879 7.0371 7.0791 7.1309 7.1676 7.3778 7.4603 7.6479 7.6894 7.8907 7.9208 8.0472 8.0897 8.1535 8.2194 8.2747 8.3331 8.5052 8.5347 8.5716 8.6560 8.8219 8.8675 8.9594 9.0929 9.1033 9.1720 9.2246 9.2904 9.5023 9.5405 9.6167 9.6455 9.7473 9.7731 10.1153 10.1639 10.2120 10.2451 10.9625 10.9924 11.5393 11.5638 12.1325 12.1582 13.7232 13.7609 14.4245 14.4377 15.4616 15.4698 15.6627 15.6926 16.1244 16.1457 k = 0.3152 0.3152-0.0000 ( 2946 PWs) bands (ev): 3.5062 3.5067 5.1697 5.1746 5.4765 5.4783 6.3129 6.3335 7.0411 7.0791 7.1198 7.1561 7.3882 7.4710 7.6473 7.6912 7.9030 7.9272 8.0463 8.0877 8.1659 8.2274 8.2618 8.3093 8.4958 8.5338 8.5711 8.6491 8.8048 8.8483 8.9441 9.0883 9.0989 9.1658 9.2296 9.3052 9.5324 9.5756 9.6348 9.6657 9.7539 9.7828 10.1248 10.1750 10.2372 10.2662 11.0688 11.0963 11.4655 11.4871 12.0938 12.1174 13.7524 13.7950 14.4854 14.5052 15.4691 15.4854 15.6339 15.6742 16.0802 16.1030 k = 0.3043 0.3043-0.0000 ( 2946 PWs) bands (ev): 3.4244 3.4249 5.1921 5.1974 5.5057 5.5075 6.3525 6.3749 7.0455 7.0792 7.1114 7.1496 7.3998 7.4824 7.6447 7.6902 7.9160 7.9342 8.0451 8.0870 8.1772 8.2307 8.2466 8.2895 8.4883 8.5299 8.5750 8.6436 8.7879 8.8279 8.9261 9.0769 9.0942 9.1603 9.2365 9.3201 9.5635 9.6095 9.6513 9.6868 9.7648 9.7954 10.1333 10.1854 10.2604 10.2884 11.1796 11.2045 11.3955 11.4143 12.0583 12.0794 13.7785 13.8265 14.5441 14.5714 15.4677 15.4995 15.5926 15.6502 16.0384 16.0631 k = 0.2935 0.2935-0.0000 ( 2946 PWs) bands (ev): 3.3447 3.3452 5.2156 5.2214 5.5355 5.5374 6.3879 6.4119 7.0459 7.0833 7.1034 7.1513 7.4121 7.4942 7.6403 7.6868 7.9289 7.9418 8.0439 8.0875 8.1862 8.2237 8.2290 8.2806 8.4833 8.5247 8.5806 8.6396 8.7717 8.8064 8.9058 9.0591 9.0897 9.1559 9.2448 9.3347 9.5952 9.6412 9.6671 9.7092 9.7794 9.8107 10.1410 10.1949 10.2812 10.3111 11.2913 11.3104 11.3373 11.3473 12.0260 12.0443 13.8002 13.8540 14.6005 14.6363 15.4501 15.4985 15.5535 15.6296 16.0062 16.0342 k = 0.2826 0.2826-0.0000 ( 2947 PWs) bands (ev): 3.2672 3.2676 5.2402 5.2463 5.5658 5.5677 6.4188 6.4444 7.0405 7.0943 7.0953 7.1614 7.4249 7.5062 7.6347 7.6814 7.9407 7.9501 8.0429 8.0892 8.1891 8.2062 8.2139 8.2827 8.4806 8.5191 8.5858 8.6367 8.7567 8.7842 8.8837 9.0368 9.0848 9.1526 9.2536 9.3486 9.6269 9.6690 9.6833 9.7334 9.7974 9.8280 10.1483 10.2036 10.2996 10.3332 11.2635 11.2824 11.4139 11.4345 11.9975 12.0123 13.8159 13.8755 14.6542 14.6999 15.4136 15.4518 15.5512 15.6201 15.9774 16.0154 k = 0.2717 0.2717-0.0000 ( 2941 PWs) bands (ev): 3.1920 3.1923 5.2658 5.2724 5.5964 5.5983 6.4453 6.4722 7.0329 7.0858 7.1129 7.1775 7.4380 7.5183 7.6282 7.6744 7.9501 7.9594 8.0418 8.0918 8.1773 8.1825 8.2141 8.2890 8.4799 8.5137 8.5890 8.6350 8.7432 8.7620 8.8604 9.0110 9.0797 9.1505 9.2626 9.3616 9.6580 9.6915 9.7020 9.7588 9.8182 9.8468 10.1552 10.2115 10.3160 10.3539 11.2065 11.2260 11.5331 11.5513 11.9731 11.9835 13.8235 13.8886 14.7050 14.7618 15.3671 15.3903 15.5590 15.6180 15.9273 15.9894 k = 0.2609 0.2609-0.0000 ( 2943 PWs) bands (ev): 3.1191 3.1195 5.2923 5.2994 5.6272 5.6291 6.4671 6.4954 7.0256 7.0785 7.1348 7.1979 7.4511 7.5303 7.6213 7.6661 7.9571 7.9692 8.0401 8.0946 8.1571 8.1613 8.2201 8.2962 8.4806 8.5083 8.5891 8.6339 8.7302 8.7420 8.8365 8.9823 9.0748 9.1496 9.2712 9.3734 9.6876 9.7100 9.7231 9.7841 9.8413 9.8666 10.1618 10.2184 10.3304 10.3724 11.1547 11.1762 11.6523 11.6685 11.9540 11.9583 13.8208 13.8907 14.7522 14.8216 15.3221 15.3339 15.5548 15.6113 15.8411 15.9143 k = 0.2500 0.2500-0.0000 ( 2929 PWs) bands (ev): 3.0487 3.0490 5.3198 5.3273 5.6580 5.6599 6.4845 6.5139 7.0201 7.0733 7.1600 7.2215 7.4638 7.5419 7.6145 7.6569 7.9622 7.9784 8.0368 8.0953 8.1374 8.1443 8.2268 8.3033 8.4822 8.5025 8.5857 8.6318 8.7135 8.7298 8.8133 8.9516 9.0707 9.1502 9.2793 9.3841 9.7132 9.7292 9.7450 9.8072 9.8660 9.8875 10.1682 10.2243 10.3432 10.3890 11.1094 11.1336 11.7646 11.7843 11.9350 11.9476 13.8059 13.8792 14.7959 14.8784 15.2837 15.2922 15.5202 15.5772 15.7682 15.8496 k = 0.2391 0.2391-0.0000 ( 2939 PWs) bands (ev): 2.9808 2.9811 5.3481 5.3562 5.6886 5.6905 6.4972 6.5277 7.0171 7.0707 7.1878 7.2473 7.4756 7.5528 7.6083 7.6470 7.9656 7.9859 8.0309 8.0880 8.1268 8.1320 8.2333 8.3096 8.4837 8.4959 8.5794 8.6260 8.6963 8.7238 8.7924 8.9191 9.0675 9.1521 9.2866 9.3934 9.7325 9.7503 9.7682 9.8270 9.8906 9.9096 10.1745 10.2289 10.3551 10.4036 11.0714 11.0984 11.8416 11.8937 11.9224 11.9749 13.7772 13.8521 14.8365 14.9310 15.2530 15.2658 15.4538 15.4996 15.7479 15.8266 k = 0.2283 0.2283-0.0000 ( 2941 PWs) bands (ev): 2.9156 2.9158 5.3772 5.3859 5.7190 5.7207 6.5054 6.5370 7.0172 7.0711 7.2175 7.2748 7.4859 7.5628 7.6039 7.6369 7.9666 7.9904 8.0234 8.0721 8.1228 8.1302 8.2394 8.3150 8.4833 8.4887 8.5716 8.6140 8.6821 8.7204 8.7764 8.8860 9.0657 9.1553 9.2931 9.4012 9.7477 9.7690 9.7938 9.8434 9.9128 9.9337 10.1805 10.2322 10.3674 10.4174 11.0412 11.0705 11.8606 11.8962 12.0177 12.0577 13.7342 13.8089 14.8754 14.9788 15.2255 15.2371 15.3914 15.4153 15.7599 15.8326 k = 0.2174 0.2174-0.0000 ( 2949 PWs) bands (ev): 2.8529 2.8531 5.4072 5.4164 5.7489 5.7506 6.5092 6.5418 7.0205 7.0747 7.2485 7.3028 7.4941 7.5712 7.6023 7.6268 7.9638 7.9890 8.0180 8.0554 8.1211 8.1362 8.2448 8.3191 8.4745 8.4858 8.5634 8.5969 8.6694 8.7182 8.7669 8.8538 9.0653 9.1597 9.2985 9.4075 9.7597 9.7832 9.8208 9.8567 9.9324 9.9587 10.1866 10.2342 10.3813 10.4316 11.0187 11.0498 11.8585 11.8829 12.1262 12.1577 13.6773 13.7502 14.9140 15.0220 15.1672 15.1916 15.3690 15.3769 15.7844 15.8536 k = 0.2065 0.2065-0.0000 ( 2941 PWs) bands (ev): 2.7930 2.7932 5.4378 5.4476 5.7782 5.7798 6.5089 6.5426 7.0273 7.0816 7.2802 7.3307 7.4994 7.5778 7.6045 7.6176 7.9557 7.9802 8.0181 8.0432 8.1231 8.1447 8.2494 8.3215 8.4609 8.4823 8.5550 8.5789 8.6566 8.7156 8.7629 8.8255 9.0664 9.1652 9.3031 9.4122 9.7668 9.7929 9.8480 9.8680 9.9510 9.9831 10.1929 10.2355 10.3985 10.4477 11.0034 11.0358 11.8529 11.8720 12.2267 12.2547 13.6081 13.6784 14.9496 15.0593 15.0905 15.1319 15.3804 15.3980 15.8149 15.8826 k = 0.1957 0.1957-0.0000 ( 2937 PWs) bands (ev): 2.7359 2.7360 5.4692 5.4796 5.8068 5.8084 6.5048 6.5394 7.0374 7.0917 7.3117 7.3574 7.5015 7.5829 7.6070 7.6136 7.9425 7.9666 8.0211 8.0381 8.1273 8.1542 8.2525 8.3214 8.4443 8.4757 8.5433 8.5658 8.6444 8.7086 8.7610 8.8072 9.0689 9.1717 9.3066 9.4152 9.7660 9.7974 9.8733 9.8800 9.9701 10.0057 10.1994 10.2367 10.4200 10.4667 10.9944 11.0276 11.8474 11.8637 12.3153 12.3419 13.5288 13.5959 14.9638 15.0102 15.0845 15.1198 15.4210 15.4393 15.8492 15.9167 k = 0.1848 0.1848-0.0000 ( 2943 PWs) bands (ev): 2.6815 2.6817 5.5012 5.5122 5.8347 5.8362 6.4971 6.5327 7.0507 7.1047 7.3421 7.3817 7.5009 7.5845 7.6055 7.6211 7.9265 7.9502 8.0253 8.0397 8.1325 8.1644 8.2533 8.3181 8.4255 8.4663 8.5273 8.5600 8.6348 8.6919 8.7607 8.8022 9.0727 9.1789 9.3090 9.4165 9.7563 9.7946 9.8883 9.9030 9.9907 10.0262 10.2066 10.2390 10.4462 10.4892 10.9906 11.0247 11.8426 11.8579 12.3886 12.4147 13.4416 13.5056 14.9370 14.9520 15.1111 15.1643 15.4762 15.4916 15.8862 15.9546 k = 0.1739 0.1739-0.0000 ( 2947 PWs) bands (ev): 2.6301 2.6302 5.5337 5.5454 5.8616 5.8630 6.4863 6.5228 7.0669 7.1205 7.3703 7.4027 7.4988 7.5808 7.6097 7.6320 7.9099 7.9326 8.0308 8.0461 8.1375 8.1750 8.2508 8.3112 8.4049 8.4558 8.5114 8.5567 8.6285 8.6685 8.7642 8.8054 9.0778 9.1866 9.3105 9.4162 9.7384 9.7822 9.9038 9.9280 10.0128 10.0450 10.2149 10.2432 10.4770 10.5156 10.9907 11.0261 11.8387 11.8545 12.4434 12.4694 13.3487 13.4099 14.9058 14.9150 15.1646 15.2178 15.5392 15.5516 15.9254 15.9955 k = 0.1630 0.1630-0.0000 ( 2947 PWs) bands (ev): 2.5816 2.5817 5.5668 5.5792 5.8875 5.8888 6.4727 6.5101 7.0857 7.1386 7.3948 7.4195 7.4967 7.5754 7.6172 7.6449 7.8938 7.9152 8.0381 8.0560 8.1409 8.1858 8.2438 8.3012 8.3839 8.4453 8.4983 8.5518 8.6252 8.6466 8.7702 8.8118 9.0839 9.1947 9.3110 9.4142 9.7138 9.7607 9.9226 9.9518 10.0356 10.0625 10.2246 10.2506 10.5119 10.5456 10.9939 11.0312 11.8356 11.8532 12.4769 12.5033 13.2521 13.3109 14.8937 14.9021 15.2289 15.2773 15.6065 15.6178 15.9665 16.0389 k = 0.1522 0.1522-0.0000 ( 2951 PWs) bands (ev): 2.5360 2.5361 5.6003 5.6135 5.9122 5.9136 6.4568 6.4948 7.1068 7.1587 7.4138 7.4323 7.4959 7.5706 7.6260 7.6590 7.8787 7.8986 8.0468 8.0692 8.1412 8.1961 8.2320 8.2890 8.3648 8.4337 8.4895 8.5424 8.6238 8.6330 8.7773 8.8186 9.0910 9.2029 9.3107 9.4105 9.6844 9.7319 9.9440 9.9741 10.0572 10.0796 10.2363 10.2621 10.5498 10.5786 10.9994 11.0393 11.8332 11.8537 12.4881 12.5150 13.1533 13.2102 14.9067 14.9148 15.2997 15.3420 15.6759 15.6891 16.0091 16.0846 k = 0.1413 0.1413-0.0000 ( 2945 PWs) bands (ev): 2.4934 2.4935 5.6342 5.6482 5.9358 5.9371 6.4387 6.4772 7.1300 7.1806 7.4250 7.4428 7.4967 7.5671 7.6358 7.6732 7.8650 7.8835 8.0561 8.0854 8.1382 8.2007 8.2196 8.2755 8.3515 8.4179 8.4855 8.5300 8.6234 8.6294 8.7844 8.8248 9.0991 9.2111 9.3097 9.4054 9.6516 9.6981 9.9670 9.9947 10.0755 10.0970 10.2504 10.2792 10.5896 10.6141 11.0066 11.0498 11.8315 11.8557 12.4777 12.5051 13.0537 13.1092 14.9454 14.9533 15.3754 15.4113 15.7469 15.7641 16.0529 16.1323 k = 0.1304 0.1304-0.0000 ( 2941 PWs) bands (ev): 2.4539 2.4539 5.6685 5.6833 5.9581 5.9593 6.4188 6.4576 7.1548 7.2036 7.4287 7.4515 7.4987 7.5648 7.6467 7.6866 7.8527 7.8701 8.0637 8.1022 8.1348 8.1862 8.2162 8.2665 8.3449 8.3964 8.4859 8.5196 8.6259 8.6307 8.7910 8.8295 9.1079 9.2190 9.3081 9.3988 9.6168 9.6610 9.9904 10.0137 10.0900 10.1136 10.2675 10.3032 10.6300 10.6514 11.0150 11.0621 11.8300 11.8586 12.4480 12.4756 12.9544 13.0087 15.0080 15.0156 15.4548 15.4846 15.8193 15.8415 16.0973 16.1814 k = 0.1196 0.1196-0.0000 ( 2935 PWs) bands (ev): 2.4174 2.4174 5.7031 5.7186 5.9790 5.9802 6.3972 6.4361 7.1811 7.2275 7.4284 7.4573 7.5007 7.5631 7.6589 7.6983 7.8420 7.8587 8.0647 8.1098 8.1420 8.1647 8.2078 8.2711 8.3386 8.3753 8.4890 8.5140 8.6307 8.6336 8.7965 8.8321 9.1175 9.2266 9.3061 9.3908 9.5812 9.6223 10.0132 10.0313 10.1019 10.1275 10.2888 10.3348 10.6695 10.6899 11.0244 11.0758 11.8286 11.8624 12.4027 12.4303 12.8560 12.9093 15.0910 15.0987 15.5375 15.5614 15.8927 15.9201 16.1419 16.2313 k = 0.1087 0.1087-0.0000 ( 2929 PWs) bands (ev): 2.3839 2.3840 5.7379 5.7543 5.9984 5.9997 6.3741 6.4130 7.2086 7.2519 7.4264 7.4602 7.5023 7.5613 7.6720 7.7081 7.8328 7.8494 8.0547 8.1038 8.1384 8.1651 8.2023 8.2849 8.3173 8.3708 8.4920 8.5142 8.6358 8.6383 8.8005 8.8320 9.1278 9.2337 9.3039 9.3816 9.5459 9.5830 10.0343 10.0475 10.1118 10.1378 10.3149 10.3735 10.7070 10.7288 11.0345 11.0904 11.8270 11.8665 12.3462 12.3738 12.7592 12.8115 15.1909 15.1986 15.6227 15.6413 15.9667 15.9992 16.1859 16.2809 k = 0.0978 0.0978-0.0000 ( 2941 PWs) bands (ev): 2.3536 2.3537 5.7728 5.7901 6.0162 6.0176 6.3496 6.3883 7.2369 7.2762 7.4240 7.4610 7.5030 7.5586 7.6857 7.7160 7.8251 7.8426 8.0354 8.0875 8.1135 8.1867 8.2127 8.2757 8.3128 8.3783 8.4927 8.5201 8.6400 8.6444 8.8025 8.8287 9.1387 9.2400 9.3019 9.3712 9.5119 9.5442 10.0530 10.0624 10.1202 10.1448 10.3468 10.4184 10.7418 10.7666 11.0450 11.1050 11.8250 11.8709 12.2832 12.3107 12.6642 12.7156 15.3035 15.3112 15.7098 15.7239 16.0405 16.0777 16.2288 16.3276 k = 0.0870 0.0870-0.0000 ( 2945 PWs) bands (ev): 2.3265 2.3265 5.8078 5.8259 6.0324 6.0339 6.3238 6.3622 7.2658 7.3000 7.4217 7.4608 7.5028 7.5549 7.6997 7.7224 7.8190 7.8385 8.0108 8.0657 8.0861 8.2090 8.2272 8.2478 8.3362 8.3891 8.4915 8.5299 8.6441 8.6506 8.8022 8.8220 9.1503 9.2455 9.3004 9.3598 9.4801 9.5066 10.0690 10.0761 10.1272 10.1492 10.3847 10.4687 10.7733 10.8019 11.0550 11.1187 11.8225 11.8752 12.2180 12.2462 12.5715 12.6220 15.4252 15.4330 15.7976 15.8092 16.1134 16.1542 16.2701 16.3672 k = 0.0761 0.0761-0.0000 ( 2939 PWs) bands (ev): 2.3025 2.3025 5.8428 5.8618 6.0468 6.0487 6.2969 6.3349 7.2950 7.3229 7.4200 7.4601 7.5017 7.5501 7.7139 7.7278 7.8144 7.8373 7.9832 8.0428 8.0585 8.1940 8.2358 8.2665 8.3645 8.4006 8.4894 8.5417 8.6483 8.6563 8.7994 8.8116 9.1626 9.2501 9.3000 9.3476 9.4509 9.4710 10.0826 10.0885 10.1330 10.1516 10.4285 10.5234 10.8010 10.8335 11.0635 11.1297 11.8198 11.8792 12.1551 12.1848 12.4814 12.5309 15.5525 15.5605 15.8850 15.8973 16.1843 16.2259 16.3104 16.3969 k = 0.0652 0.0652-0.0000 ( 2943 PWs) bands (ev): 2.2816 2.2816 5.8778 5.8976 6.0593 6.0618 6.2690 6.3063 7.3240 7.3443 7.4188 7.4593 7.4998 7.5440 7.7280 7.7329 7.8110 7.8391 7.9539 8.0206 8.0321 8.1545 8.2623 8.2923 8.3953 8.4111 8.4870 8.5546 8.6521 8.6616 8.7934 8.7979 9.1755 9.2536 9.3011 9.3350 9.4241 9.4383 10.0942 10.0992 10.1374 10.1524 10.4777 10.5818 10.8244 10.8607 11.0684 11.1360 11.8179 11.8831 12.0986 12.1304 12.3942 12.4427 15.6823 15.6905 15.9710 15.9872 16.2520 16.2872 16.3531 16.4187 k = 0.0543 0.0543-0.0000 ( 2943 PWs) bands (ev): 2.2639 2.2640 5.9127 5.9332 6.0698 6.0733 6.2400 6.2768 7.3520 7.3641 7.4182 7.4591 7.4971 7.5367 7.7384 7.7420 7.8087 7.8444 7.9239 8.0002 8.0079 8.1148 8.2897 8.3169 8.4187 8.4262 8.4865 8.5682 8.6546 8.6675 8.7780 8.7869 9.1892 9.2562 9.3037 9.3224 9.3976 9.4110 10.1042 10.1085 10.1406 10.1520 10.5312 10.6433 10.8427 10.8835 11.0671 11.1347 11.8189 11.8874 12.0526 12.0853 12.3106 12.3578 15.8116 15.8204 16.0553 16.0773 16.3140 16.3317 16.4014 16.4366 k = 0.0435 0.0435-0.0000 ( 2943 PWs) bands (ev): 2.2495 2.2495 5.9474 5.9684 6.0783 6.0831 6.2101 6.2464 7.3760 7.3843 7.4179 7.4596 7.4938 7.5280 7.7450 7.7555 7.8071 7.8535 7.8943 7.9823 7.9866 8.0759 8.3167 8.3397 8.4242 8.4455 8.4967 8.5822 8.6549 8.6748 8.7558 8.7765 9.2037 9.2585 9.3072 9.3109 9.3700 9.3903 10.1130 10.1164 10.1424 10.1507 10.5881 10.7071 10.8552 10.9022 11.0571 11.1234 11.8255 11.8943 12.0195 12.0501 12.2312 12.2770 15.9376 15.9475 16.1364 16.1655 16.3549 16.3747 16.4387 16.4633 k = 0.0326 0.0326-0.0000 ( 2945 PWs) bands (ev): 2.2382 2.2382 5.9819 6.0029 6.0846 6.0914 6.1795 6.2153 7.3912 7.4087 7.4178 7.4613 7.4897 7.5177 7.7534 7.7679 7.8056 7.8651 7.8678 7.9675 7.9686 8.0386 8.3425 8.3604 8.4258 8.4462 8.5247 8.5961 8.6527 8.6836 8.7301 8.7642 9.2192 9.2609 9.2986 9.3138 9.3431 9.3737 10.1206 10.1232 10.1430 10.1484 10.6466 10.7722 10.8605 10.9179 11.0379 11.1001 11.8401 11.9073 11.9985 12.0241 12.1575 12.2008 16.0575 16.0689 16.2117 16.2487 16.3726 16.4203 16.4522 16.5023 k = 0.0217 0.0217-0.0000 ( 2945 PWs) bands (ev): 2.2301 2.2302 6.0161 6.0360 6.0883 6.0990 6.1480 6.1840 7.4016 7.4173 7.4327 7.4644 7.4850 7.5056 7.7643 7.7789 7.8036 7.8394 7.8849 7.9543 7.9568 8.0037 8.3665 8.3789 8.4236 8.4374 8.5599 8.6095 8.6482 8.6912 8.7040 8.7506 9.2359 9.2639 9.2888 9.3179 9.3207 9.3599 10.1272 10.1290 10.1424 10.1456 10.7048 10.8376 10.8564 10.9319 11.0119 11.0644 11.8642 11.9302 11.9846 12.0069 12.0916 12.1302 16.1676 16.1811 16.2770 16.3220 16.3786 16.4492 16.4665 16.5261 k = 0.0109 0.0109-0.0000 ( 2945 PWs) bands (ev): 2.2253 2.2253 6.0498 6.0650 6.0887 6.1081 6.1158 6.1531 7.4087 7.4159 7.4548 7.4689 7.4798 7.4912 7.7781 7.7881 7.8003 7.8158 7.9065 7.9431 7.9510 7.9729 8.3884 8.3948 8.4175 8.4242 8.5966 8.6217 8.6414 8.6666 8.7088 8.7363 9.2539 9.2681 9.2804 9.2948 9.3286 9.3480 10.1329 10.1339 10.1407 10.1420 10.7594 10.8390 10.9018 10.9459 10.9850 11.0178 11.8973 11.9641 11.9673 12.0017 12.0396 12.0663 16.2623 16.2766 16.3236 16.3686 16.3778 16.4483 16.4929 16.5203 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): 2.2237 2.2237 6.0831 6.0831 6.0831 6.0831 6.1257 6.1257 7.4132 7.4132 7.4743 7.4743 7.4743 7.4743 7.7952 7.7952 7.7952 7.7952 7.9287 7.9287 7.9536 7.9536 8.4077 8.4077 8.4077 8.4077 8.6325 8.6325 8.6325 8.6325 8.7221 8.7221 9.2735 9.2735 9.2735 9.2735 9.3377 9.3377 10.1378 10.1378 10.1378 10.1378 10.8060 10.8060 10.9627 10.9627 10.9627 10.9627 11.9351 11.9351 12.0106 12.0106 12.0106 12.0106 16.3321 16.3321 16.3321 16.3321 16.4176 16.4176 16.5200 16.5200 k = 0.0000 0.0000 0.0000 ( 2945 PWs) bands (ev): 2.2237 2.2237 6.0831 6.0831 6.0831 6.0831 6.1257 6.1257 7.4132 7.4132 7.4743 7.4743 7.4743 7.4743 7.7952 7.7952 7.7952 7.7952 7.9287 7.9287 7.9536 7.9536 8.4077 8.4077 8.4077 8.4077 8.6325 8.6325 8.6325 8.6325 8.7221 8.7221 9.2735 9.2735 9.2735 9.2735 9.3377 9.3377 10.1378 10.1378 10.1378 10.1378 10.8060 10.8060 10.9627 10.9627 10.9627 10.9627 11.9351 11.9351 12.0106 12.0106 12.0106 12.0106 16.3321 16.3321 16.3321 16.3321 16.4176 16.4176 16.5200 16.5200 k = 0.0089 0.0089 0.0089 ( 2945 PWs) bands (ev): 2.2253 2.2253 6.0497 6.0652 6.0881 6.1079 6.1163 6.1534 7.4086 7.4159 7.4544 7.4699 7.4788 7.4915 7.7778 7.7884 7.8002 7.8159 7.9063 7.9432 7.9511 7.9731 8.3907 8.3916 8.4188 8.4236 8.5953 8.6265 8.6368 8.6678 8.7087 8.7364 9.2535 9.2693 9.2791 9.2953 9.3285 9.3481 10.1333 10.1334 10.1412 10.1416 10.7592 10.8391 10.9015 10.9460 10.9847 11.0184 11.8969 11.9644 11.9676 12.0017 12.0402 12.0659 16.2603 16.2743 16.3303 16.3636 16.3803 16.4435 16.5053 16.5117 k = 0.0179 0.0179 0.0179 ( 2945 PWs) bands (ev): 2.2302 2.2302 6.0162 6.0367 6.0864 6.0979 6.1491 6.1847 7.4017 7.4173 7.4321 7.4661 7.4831 7.5061 7.7635 7.7792 7.8036 7.8398 7.8847 7.9543 7.9571 8.0040 8.3708 8.3728 8.4249 8.4379 8.5574 8.6191 8.6381 8.6975 8.7002 8.7508 9.2349 9.2663 9.2862 9.3194 9.3205 9.3601 10.1278 10.1281 10.1436 10.1446 10.7046 10.8372 10.8557 10.9316 11.0114 11.0651 11.8642 11.9302 11.9915 12.0051 12.0910 12.1278 16.1597 16.1779 16.2883 16.3359 16.3634 16.4166 16.5048 16.5347 k = 0.0268 0.0268 0.0268 ( 2945 PWs) bands (ev): 2.2384 2.2384 5.9828 6.0048 6.0807 6.0889 6.1814 6.2168 7.3921 7.4078 7.4178 7.4632 7.4868 7.5181 7.7520 7.7677 7.8062 7.8665 7.8669 7.9684 7.9685 8.0392 8.3461 8.3538 8.4266 8.4484 8.5220 8.6103 8.6345 8.6904 8.7290 8.7644 9.2177 9.2641 9.2946 9.3138 9.3458 9.3739 10.1207 10.1224 10.1453 10.1467 10.6467 10.7717 10.8590 10.9168 11.0363 11.0992 11.8440 11.9117 12.0146 12.0170 12.1530 12.1945 16.0446 16.0664 16.2208 16.2734 16.3411 16.3610 16.5111 16.5554 k = 0.0357 0.0357 0.0357 ( 2945 PWs) bands (ev): 2.2498 2.2498 5.9497 5.9720 6.0719 6.0785 6.2128 6.2485 7.3799 7.3821 7.4176 7.4610 7.4900 7.5279 7.7429 7.7542 7.8086 7.8535 7.8956 7.9840 7.9864 8.0767 8.3185 8.3337 8.4245 8.4466 8.4987 8.6003 8.6249 8.6883 8.7536 8.7764 9.2014 9.2621 9.3042 9.3085 9.3748 9.3901 10.1120 10.1162 10.1463 10.1476 10.5885 10.7063 10.8531 10.9005 11.0515 11.1173 11.8410 11.9117 12.0357 12.0408 12.2206 12.2649 15.9231 15.9488 16.1354 16.1940 16.2870 16.2969 16.5181 16.5619 k = 0.0446 0.0446 0.0446 ( 2945 PWs) bands (ev): 2.2644 2.2644 5.9170 5.9391 6.0606 6.0663 6.2432 6.2794 7.3553 7.3655 7.4169 7.4594 7.4925 7.5358 7.7355 7.7391 7.8112 7.8443 7.9262 8.0030 8.0075 8.1159 8.2892 8.3122 8.4195 8.4231 8.4979 8.5892 8.6107 8.6896 8.7738 8.7862 9.1860 9.2596 9.3050 9.3144 9.4065 9.4091 10.1013 10.1095 10.1466 10.1474 10.5319 10.6421 10.8411 10.8823 11.0523 11.1180 11.8572 11.9315 12.0601 12.0708 12.2916 12.3380 15.7994 15.8289 16.0378 16.1018 16.1979 16.2293 16.5193 16.5637 k = 0.0536 0.0536 0.0536 ( 2939 PWs) bands (ev): 2.2823 2.2823 5.8847 5.9065 6.0471 6.0523 6.2723 6.3091 7.3281 7.3493 7.4156 7.4581 7.4944 7.5422 7.7233 7.7296 7.8143 7.8384 7.9578 8.0247 8.0314 8.1562 8.2593 8.2891 8.3925 8.4123 8.5064 8.5771 8.5937 8.6924 8.7895 8.7934 9.1713 9.2561 9.3038 9.3249 9.4312 9.4408 10.0883 10.1024 10.1457 10.1464 10.4783 10.5799 10.8248 10.8623 11.0377 11.1023 11.8919 11.9694 12.0892 12.1042 12.3648 12.4131 15.6758 15.7092 15.9326 16.0011 16.0969 16.1415 16.5172 16.5776 k = 0.0625 0.0625 0.0625 ( 2939 PWs) bands (ev): 2.3034 2.3034 5.8530 5.8744 6.0317 6.0365 6.2998 6.3373 7.3007 7.3317 7.4138 7.4566 7.4957 7.5474 7.7072 7.7245 7.8181 7.8351 7.9894 8.0483 8.0573 8.1971 8.2298 8.2644 8.3634 8.4037 8.5161 8.5645 8.5751 8.6954 8.7975 8.8008 9.1574 9.2513 9.3048 9.3351 9.4566 9.4774 10.0727 10.0947 10.1422 10.1455 10.4284 10.5202 10.8052 10.8405 11.0095 11.0733 11.9418 12.0217 12.1223 12.1404 12.4392 12.4895 15.5537 15.5911 15.8233 15.8957 15.9874 16.0394 16.5181 16.5914 k = 0.0714 0.0714 0.0714 ( 2939 PWs) bands (ev): 2.3277 2.3278 5.8219 5.8428 6.0146 6.0193 6.3255 6.3635 7.2734 7.3129 7.4115 7.4548 7.4967 7.5515 7.6914 7.7199 7.8228 7.8339 8.0197 8.0729 8.0847 8.2020 8.2379 8.2392 8.3381 8.3943 8.5255 8.5521 8.5561 8.6980 8.7986 8.8081 9.1442 9.2454 9.3077 9.3449 9.4851 9.5159 10.0545 10.0864 10.1369 10.1440 10.3829 10.4638 10.7830 10.8171 10.9709 11.0344 12.0024 12.0844 12.1586 12.1785 12.5143 12.5667 15.4343 15.4759 15.7128 15.7887 15.8727 15.9287 16.5229 16.6009 k = 0.0804 0.0804 0.0804 ( 2939 PWs) bands (ev): 2.3552 2.3553 5.7916 5.8121 5.9962 6.0009 6.3491 6.3875 7.2464 7.2933 7.4083 7.4525 7.4973 7.5549 7.6761 7.7156 7.8282 7.8343 8.0465 8.0962 8.1128 8.1779 8.2161 8.2778 8.3169 8.3851 8.5338 8.5375 8.5403 8.6995 8.7971 8.8117 9.1319 9.2389 9.3120 9.3541 9.5164 9.5557 10.0336 10.0774 10.1294 10.1417 10.3421 10.4111 10.7588 10.7924 10.9251 10.9889 12.0692 12.1532 12.1973 12.2176 12.5894 12.6440 15.3184 15.3643 15.6034 15.6824 15.7561 15.8142 16.5316 16.6123 k = 0.0893 0.0893 0.0893 ( 2939 PWs) bands (ev): 2.3859 2.3859 5.7620 5.7821 5.9768 5.9816 6.3703 6.4091 7.2197 7.2728 7.4043 7.4495 7.4978 7.5577 7.6616 7.7114 7.8341 7.8358 8.0663 8.1116 8.1409 8.1641 8.1988 8.3000 8.3142 8.3784 8.5202 8.5304 8.5409 8.6999 8.7933 8.8121 9.1205 9.2319 9.3172 9.3624 9.5499 9.5964 10.0103 10.0676 10.1194 10.1388 10.3057 10.3628 10.7329 10.7665 10.8745 10.9392 12.1374 12.2247 12.2385 12.2567 12.6638 12.7209 15.2070 15.2574 15.4972 15.5790 15.6406 15.6996 16.5437 16.6258 k = 0.0982 0.0982 0.0982 ( 2945 PWs) bands (ev): 2.4197 2.4198 5.7334 5.7530 5.9567 5.9616 6.3890 6.4278 7.1933 7.2513 7.3992 7.4457 7.4981 7.5599 7.6481 7.7073 7.8382 7.8406 8.0744 8.1072 8.1681 8.1718 8.1913 8.2881 8.3374 8.3833 8.5055 8.5233 8.5465 8.6989 8.7879 8.8099 9.1101 9.2249 9.3230 9.3700 9.5852 9.6372 9.9851 10.0563 10.1072 10.1350 10.2732 10.3193 10.7054 10.7395 10.8212 10.8869 12.2016 12.2830 12.2946 12.2958 12.7368 12.7967 15.1009 15.1560 15.3959 15.4804 15.5292 15.5883 16.5591 16.6417 k = 0.1071 0.1071 0.1071 ( 2942 PWs) bands (ev): 2.4566 2.4567 5.7056 5.7248 5.9362 5.9412 6.4049 6.4436 7.1669 7.2284 7.3930 7.4413 7.4984 7.5616 7.6362 7.7035 7.8413 7.8476 8.0703 8.0922 8.1909 8.1920 8.1932 8.2836 8.3393 8.4070 8.4946 8.5211 8.5505 8.6965 8.7818 8.8058 9.1008 9.2180 9.3293 9.3769 9.6217 9.6773 9.9588 10.0429 10.0934 10.1303 10.2441 10.2812 10.6764 10.7115 10.7668 10.8335 12.2561 12.3303 12.3323 12.3635 12.8076 12.8703 15.0011 15.0610 15.3013 15.3882 15.4247 15.4836 16.5774 16.6599 k = 0.1161 0.1161 0.1161 ( 2945 PWs) bands (ev): 2.4967 2.4967 5.6789 5.6977 5.9153 5.9206 6.4180 6.4564 7.1403 7.2038 7.3853 7.4363 7.4987 7.5628 7.6263 7.7004 7.8448 7.8547 8.0594 8.0763 8.1927 8.2103 8.2146 8.2889 8.3338 8.4336 8.4888 8.5262 8.5526 8.6927 8.7759 8.8003 9.0928 9.2115 9.3358 9.3830 9.6588 9.7157 9.9322 10.0261 10.0798 10.1245 10.2175 10.2484 10.6456 10.6825 10.7130 10.7800 12.2985 12.3624 12.3845 12.4250 12.8751 12.9408 14.9090 14.9737 15.2150 15.3038 15.3302 15.3885 16.5987 16.6805 k = 0.1250 0.1250 0.1250 ( 2939 PWs) bands (ev): 2.5398 2.5398 5.6532 5.6716 5.8946 5.9001 6.4283 6.4661 7.1132 7.1772 7.3762 7.4305 7.4990 7.5637 7.6187 7.6982 7.8485 7.8619 8.0469 8.0619 8.1889 8.2265 8.2311 8.3032 8.3282 8.4547 8.4896 8.5406 8.5530 8.6877 8.7719 8.7943 9.0861 9.2054 9.3424 9.3883 9.6958 9.7510 9.9061 10.0053 10.0685 10.1172 10.1926 10.2202 10.6122 10.6526 10.6617 10.7273 12.3304 12.3899 12.4335 12.4774 12.9381 13.0069 14.8260 14.8953 15.1387 15.2288 15.2485 15.3061 16.6229 16.7035 k = 0.1339 0.1339 0.1339 ( 2944 PWs) bands (ev): 2.5859 2.5860 5.6285 5.6465 5.8740 5.8798 6.4358 6.4728 7.0851 7.1482 7.3654 7.4239 7.4994 7.5643 7.6139 7.6975 7.8521 7.8690 8.0350 8.0491 8.1814 8.2385 8.2417 8.3222 8.3242 8.4699 8.4974 8.5514 8.5621 8.6817 8.7714 8.7883 9.0807 9.1998 9.3489 9.3930 9.7323 9.7812 9.8808 9.9810 10.0613 10.1082 10.1687 10.1957 10.5747 10.6153 10.6217 10.6758 12.3536 12.4116 12.4737 12.5178 12.9950 13.0667 14.7538 14.8274 15.0739 15.1642 15.1823 15.2396 16.6500 16.7291 k = 0.1429 0.1429 0.1429 ( 2938 PWs) bands (ev): 2.6350 2.6351 5.6050 5.6227 5.8538 5.8600 6.4407 6.4767 7.0560 7.1169 7.3530 7.4161 7.5000 7.5649 7.6124 7.6987 7.8558 7.8757 8.0248 8.0381 8.1722 8.2465 8.2466 8.3220 8.3422 8.4817 8.5117 8.5481 8.5863 8.6751 8.7763 8.7832 9.0769 9.1948 9.3555 9.3970 9.7675 9.8038 9.8571 9.9547 10.0597 10.0973 10.1454 10.1740 10.5333 10.5748 10.5899 10.6265 12.3684 12.4264 12.5009 12.5436 13.0444 13.1186 14.6943 14.7715 15.0217 15.1111 15.1345 15.1916 16.6799 16.7572 k = 0.1518 0.1518 0.1518 ( 2941 PWs) bands (ev): 2.6871 2.6872 5.5826 5.5999 5.8342 5.8408 6.4432 6.4782 7.0253 7.0832 7.3388 7.4065 7.5007 7.5654 7.6143 7.7017 7.8591 7.8820 8.0164 8.0285 8.1625 8.2471 8.2516 8.3209 8.3607 8.4905 8.5309 8.5430 8.6106 8.6687 8.7795 8.7880 9.0745 9.1903 9.3617 9.4004 9.8005 9.8162 9.8350 9.9281 10.0645 10.0839 10.1222 10.1545 10.4915 10.5381 10.5570 10.5798 12.3742 12.4334 12.5123 12.5527 13.0843 13.1602 14.6497 14.7294 14.9826 15.0700 15.1074 15.1647 16.7127 16.7879 k = 0.1607 0.1607 0.1607 ( 2941 PWs) bands (ev): 2.7421 2.7422 5.5613 5.5783 5.8153 5.8223 6.4435 6.4773 6.9933 7.0476 7.3229 7.3948 7.5015 7.5663 7.6198 7.7067 7.8623 7.8877 8.0098 8.0200 8.1529 8.2450 8.2554 8.3206 8.3762 8.4953 8.5366 8.5526 8.6349 8.6636 8.7781 8.8067 9.0736 9.1864 9.3678 9.4032 9.8147 9.8173 9.8305 9.9020 10.0679 10.0748 10.0989 10.1378 10.4526 10.5027 10.5229 10.5364 12.3707 12.4321 12.5068 12.5439 13.1131 13.1895 14.6219 14.7029 14.9562 15.0411 15.1029 15.1601 16.7483 16.8212 k = 0.1696 0.1696 0.1696 ( 2941 PWs) bands (ev): 2.7999 2.8000 5.5413 5.5580 5.7973 5.8047 6.4420 6.4746 6.9598 7.0103 7.3053 7.3808 7.5024 7.5674 7.6285 7.7136 7.8651 7.8926 8.0046 8.0123 8.1437 8.2414 8.2591 8.3209 8.3876 8.4952 8.5294 8.5734 8.6603 8.6622 8.7792 8.8309 9.0742 9.1831 9.3735 9.4054 9.7964 9.8083 9.8556 9.8767 10.0498 10.0754 10.0836 10.1289 10.4188 10.4676 10.4878 10.4971 12.3572 12.4222 12.4842 12.5171 13.1295 13.2050 14.6123 14.6931 14.9415 15.0236 15.1216 15.1784 16.7869 16.8568 k = 0.1786 0.1786 0.1786 ( 2929 PWs) bands (ev): 2.8606 2.8607 5.5225 5.5389 5.7803 5.7881 6.4389 6.4702 6.9253 6.9720 7.2861 7.3643 7.5034 7.5691 7.6400 7.7220 7.8676 7.8966 8.0007 8.0053 8.1350 8.2371 8.2637 8.3217 8.3939 8.4907 8.5219 8.5885 8.6686 8.6876 8.7831 8.8589 9.0764 9.1804 9.3789 9.4072 9.7801 9.7923 9.8515 9.8733 10.0315 10.0516 10.0780 10.1374 10.3908 10.4332 10.4514 10.4627 12.3334 12.4039 12.4465 12.4732 13.1331 13.2060 14.6218 14.7006 14.9368 15.0160 15.1630 15.2187 16.8245 16.8252 k = 0.1875 0.1875 0.1875 ( 2938 PWs) bands (ev): 2.9240 2.9241 5.5049 5.5210 5.7643 5.7725 6.4344 6.4643 6.8898 6.9330 7.2655 7.3453 7.5045 7.5710 7.6536 7.7315 7.8697 7.8997 7.9977 7.9985 8.1268 8.2320 8.2695 8.3233 8.3947 8.4830 8.5148 8.5946 8.6853 8.7167 8.7896 8.8886 9.0799 9.1783 9.3838 9.4083 9.7654 9.7721 9.8256 9.8794 10.0166 10.0275 10.0624 10.1553 10.3662 10.4018 10.4137 10.4344 12.2978 12.3778 12.3971 12.4140 13.1239 13.1928 14.6496 14.7251 14.9395 15.0156 15.2253 15.2794 16.7100 16.7103 k = 0.1964 0.1964 0.1964 ( 2944 PWs) bands (ev): 2.9901 2.9903 5.4885 5.5044 5.7494 5.7581 6.4289 6.4574 6.8538 6.8939 7.2435 7.3243 7.5057 7.5732 7.6686 7.7416 7.8715 7.9017 7.9919 7.9955 8.1191 8.2261 8.2770 8.3255 8.3899 8.4736 8.5089 8.5944 8.7097 8.7471 8.7983 8.9187 9.0848 9.1768 9.3882 9.4089 9.7498 9.7524 9.7990 9.8704 10.0031 10.0088 10.0435 10.1724 10.3379 10.3747 10.3804 10.4141 12.2482 12.3416 12.3420 12.3445 13.1030 13.1668 14.6945 14.7655 14.9458 15.0185 15.3061 15.3583 16.5895 16.5904 k = 0.2054 0.2054 0.2054 ( 2932 PWs) bands (ev): 3.0589 3.0590 5.4734 5.4891 5.7357 5.7449 6.4224 6.4494 6.8178 6.8552 7.2206 7.3016 7.5071 7.5758 7.6842 7.7520 7.8730 7.9027 7.9854 7.9940 8.1121 8.2194 8.2861 8.3280 8.3802 8.4643 8.5045 8.5917 8.7378 8.7784 8.8086 8.9482 9.0912 9.1760 9.3921 9.4090 9.7263 9.7407 9.7722 9.8480 9.9788 10.0075 10.0233 10.1837 10.3026 10.3345 10.3721 10.4039 12.1827 12.2595 12.2857 12.3052 13.0720 13.1301 14.7544 14.8204 14.9503 15.0190 15.4030 15.4529 16.4736 16.4767 k = 0.2143 0.2143 0.2143 ( 2938 PWs) bands (ev): 3.1302 3.1304 5.4596 5.4750 5.7232 5.7329 6.4149 6.4405 6.7823 6.8173 7.1968 7.2773 7.5085 7.5784 7.6997 7.7620 7.8742 7.9026 7.9788 7.9928 8.1054 8.2115 8.2966 8.3302 8.3662 8.4564 8.5016 8.5887 8.7674 8.8099 8.8195 8.9762 9.0989 9.1757 9.3953 9.4086 9.7014 9.7299 9.7462 9.8172 9.9548 10.0022 10.0082 10.1865 10.2635 10.2931 10.3724 10.4046 12.1030 12.1691 12.2313 12.2609 13.0326 13.0848 14.8270 14.8876 14.9461 15.0098 15.5133 15.5607 16.3727 16.3792 k = 0.2232 0.2232 0.2232 ( 2941 PWs) bands (ev): 3.2040 3.2042 5.4471 5.4623 5.7120 5.7222 6.4065 6.4305 6.7479 6.7810 7.1723 7.2520 7.5100 7.5812 7.7143 7.7713 7.8751 7.9016 7.9721 7.9919 8.0992 8.2021 8.3084 8.3312 8.3491 8.4513 8.5000 8.5866 8.7973 8.8303 8.8414 9.0020 9.1080 9.1761 9.3978 9.4076 9.6752 9.7196 9.7222 9.7829 9.9315 9.9803 10.0076 10.1812 10.2229 10.2506 10.3784 10.4149 12.0135 12.0730 12.1774 12.2128 12.9867 13.0332 14.9104 14.9251 14.9615 14.9869 15.6348 15.6796 16.2968 16.3078 k = 0.2321 0.2321 0.2321 ( 2950 PWs) bands (ev): 3.2802 3.2804 5.4359 5.4509 5.7021 5.7128 6.3969 6.4193 6.7152 6.7467 7.1474 7.2260 7.5117 7.5840 7.7275 7.7793 7.8757 7.8994 7.9655 7.9910 8.0933 8.1911 8.3212 8.3297 8.3304 8.4499 8.4999 8.5858 8.8271 8.8401 8.8725 9.0247 9.1183 9.1771 9.3995 9.4059 9.6478 9.7005 9.7092 9.7480 9.9093 9.9580 10.0036 10.1703 10.1819 10.2072 10.3881 10.4316 11.9184 11.9732 12.1233 12.1619 12.9356 12.9769 14.8803 14.9285 15.0026 15.0553 15.7655 15.8076 16.2537 16.2702 k = 0.2411 0.2411 0.2411 ( 2956 PWs) bands (ev): 3.3587 3.3590 5.4260 5.4407 5.6935 5.7047 6.3857 6.4066 6.6849 6.7152 7.1225 7.1996 7.5134 7.5869 7.7389 7.7859 7.8758 7.8962 7.9587 7.9900 8.0874 8.1785 8.3087 8.3274 8.3346 8.4525 8.5013 8.5868 8.8483 8.8564 8.9030 9.0436 9.1298 9.1787 9.4003 9.4035 9.6203 9.6812 9.6982 9.7147 9.8891 9.9353 9.9949 10.1422 10.1560 10.1633 10.3999 10.4515 11.8204 11.8717 12.0690 12.1093 12.8809 12.9173 14.8082 14.8496 15.1023 15.1503 15.9034 15.9429 16.2472 16.2692 k = 0.2500 0.2500 0.2500 ( 2950 PWs) bands (ev): 3.4395 3.4397 5.4174 5.4319 5.6862 5.6979 6.3727 6.3920 6.6579 6.6873 7.0978 7.1733 7.5153 7.5899 7.7482 7.7910 7.8754 7.8919 7.9520 7.9885 8.0815 8.1643 8.2867 8.3228 8.3484 8.4586 8.5044 8.5898 8.8542 8.8849 8.9324 9.0582 9.1425 9.1807 9.4002 9.4005 9.5938 9.6637 9.6845 9.6861 9.8713 9.9126 9.9795 10.1061 10.1193 10.1401 10.4123 10.4721 11.7219 11.7702 12.0150 12.0558 12.8236 12.8557 14.7100 14.7450 15.2084 15.2524 16.0470 16.0840 16.2764 16.3026 k = 0.2589 0.2589 0.2589 ( 2956 PWs) bands (ev): 3.5223 3.5226 5.4101 5.4244 5.6801 5.6923 6.3573 6.3750 6.6348 6.6635 7.0734 7.1472 7.5173 7.5928 7.7552 7.7945 7.8744 7.8865 7.9451 7.9864 8.0753 8.1485 8.2640 8.3168 8.3622 8.4670 8.5091 8.5945 8.8570 8.9126 8.9599 9.0680 9.1562 9.1831 9.3965 9.3988 9.5691 9.6476 9.6588 9.6722 9.8565 9.8900 9.9559 10.0756 10.0760 10.1235 10.4240 10.4916 11.6248 11.6702 11.9617 12.0022 12.7644 12.7928 14.5904 14.6203 15.3199 15.3603 16.1944 16.2294 16.3366 16.3652 k = 0.2679 0.2679 0.2679 ( 2953 PWs) bands (ev): 3.6072 3.6076 5.4041 5.4181 5.6752 5.6880 6.3392 6.3555 6.6163 6.6444 7.0497 7.1217 7.5194 7.5958 7.7599 7.7965 7.8726 7.8800 7.9384 7.9833 8.0686 8.1316 8.2413 8.3100 8.3757 8.4769 8.5153 8.6009 8.8565 8.9392 8.9842 9.0742 9.1709 9.1858 9.3912 9.3961 9.5474 9.6326 9.6383 9.6565 9.8449 9.8679 9.9242 10.0330 10.0527 10.1066 10.4335 10.5086 11.5310 11.5735 11.9097 11.9491 12.7042 12.7292 14.4551 14.4812 15.4362 15.4733 16.3432 16.3780 16.4231 16.4511 k = 0.2768 0.2768 0.2768 ( 2953 PWs) bands (ev): 3.6939 3.6943 5.3993 5.4132 5.6715 5.6848 6.3183 6.3333 6.6028 6.6302 7.0268 7.0971 7.5215 7.5987 7.7623 7.7972 7.8699 7.8722 7.9315 7.9792 8.0611 8.1136 8.2186 8.3026 8.3884 8.4873 8.5230 8.6087 8.8520 8.9645 9.0013 9.0798 9.1863 9.1885 9.3840 9.3919 9.5291 9.6183 9.6238 9.6393 9.8366 9.8466 9.8871 9.9923 10.0346 10.0896 10.4397 10.5216 11.4421 11.4816 11.8592 11.8969 12.6434 12.6656 14.3090 14.3324 15.5567 15.5909 16.4879 16.5284 16.5349 16.5551 k = 0.2857 0.2857 0.2857 ( 2953 PWs) bands (ev): 3.7824 3.7829 5.3958 5.4095 5.6689 5.6827 6.2946 6.3087 6.5941 6.6209 7.0051 7.0735 7.5237 7.6015 7.7628 7.7968 7.8633 7.8664 7.9245 7.9738 8.0527 8.0950 8.1964 8.2946 8.4001 8.4974 8.5317 8.6174 8.8434 8.9880 9.0054 9.0911 9.1911 9.2023 9.3740 9.3864 9.5147 9.6045 9.6151 9.6210 9.8265 9.8312 9.8486 9.9544 10.0194 10.0726 10.4411 10.5292 11.3601 11.3965 11.8106 11.8461 12.5824 12.6022 14.1562 14.1776 15.6809 15.7125 16.6224 16.6726 16.6734 16.6794 k = 0.2946 0.2946 0.2946 ( 2944 PWs) bands (ev): 3.8725 3.8730 5.3937 5.4071 5.6674 5.6816 6.2687 6.2819 6.5903 6.6163 6.9847 7.0514 7.5259 7.6042 7.7615 7.7956 7.8531 7.8620 7.9173 7.9674 8.0432 8.0761 8.1751 8.2860 8.4104 8.5066 8.5412 8.6265 8.8308 8.9952 9.0091 9.1099 9.1935 9.2190 9.3601 9.3798 9.5044 9.5911 9.6024 9.6119 9.8078 9.8117 9.8280 9.9204 10.0056 10.0558 10.4363 10.5298 11.2867 11.3203 11.7642 11.7970 12.5216 12.5393 13.9993 14.0195 15.8086 15.8378 16.7565 16.8029 16.8220 16.8299 k = 0.3036 0.3036 0.3036 ( 2950 PWs) bands (ev): 3.9641 3.9646 5.3927 5.4059 5.6667 5.6814 6.2410 6.2535 6.5907 6.6160 6.9658 7.0307 7.5280 7.6066 7.7585 7.7937 7.8415 7.8568 7.9098 7.9596 8.0323 8.0572 8.1546 8.2766 8.4190 8.5141 8.5509 8.6351 8.8142 8.9747 9.0265 9.1324 9.1958 9.2360 9.3414 9.3726 9.4979 9.5780 9.5844 9.6131 9.7791 9.7909 9.8261 9.8916 9.9924 10.0388 10.4241 10.5217 11.2235 11.2548 11.7200 11.7497 12.4610 12.4772 13.8406 13.8601 15.9395 15.9664 16.8965 16.9411 16.9729 16.9786 k = 0.3125 0.3125 0.3125 ( 2947 PWs) bands (ev): 4.0569 4.0575 5.3930 5.4060 5.6670 5.6821 6.2120 6.2240 6.5950 6.6195 6.9487 7.0118 7.5298 7.6087 7.7541 7.7915 7.8286 7.8509 7.9021 7.9509 8.0202 8.0386 8.1355 8.2662 8.4257 8.5196 8.5601 8.6427 8.7939 8.9478 9.0381 9.1548 9.1988 9.2534 9.3186 9.3660 9.4951 9.5654 9.5680 9.6178 9.7530 9.7759 9.8238 9.8698 9.9793 10.0219 10.4039 10.5039 11.1717 11.2018 11.6783 11.7045 12.4010 12.4160 13.6816 13.7007 16.0733 16.0981 17.0423 17.0861 17.1221 17.1245 k = 0.3214 0.3214 0.3214 ( 2947 PWs) bands (ev): 4.1507 4.1514 5.3945 5.4073 5.6680 5.6834 6.1821 6.1937 6.6028 6.6265 6.9335 6.9949 7.5313 7.6103 7.7484 7.7891 7.8141 7.8446 7.8942 7.9412 8.0070 8.0207 8.1177 8.2547 8.4300 8.5226 8.5684 8.6484 8.7705 8.9165 9.0409 9.1716 9.2041 9.2712 9.2953 9.3615 9.4954 9.5535 9.5540 9.6246 9.7346 9.7630 9.8185 9.8575 9.9661 10.0049 10.3756 10.4760 11.1317 11.1620 11.6390 11.6614 12.3417 12.3557 13.5234 13.5424 16.2098 16.2326 17.1923 17.2360 17.2664 17.2678 k = 0.3304 0.3304 0.3304 ( 2947 PWs) bands (ev): 4.2454 4.2462 5.3973 5.4098 5.6697 5.6854 6.1518 6.1630 6.6137 6.6366 6.9205 6.9800 7.5323 7.6111 7.7412 7.7867 7.7981 7.8380 7.8862 7.9308 7.9931 8.0036 8.1010 8.2420 8.4320 8.5229 8.5752 8.6518 8.7445 8.8821 9.0322 9.1709 9.2136 9.2838 9.2892 9.3601 9.4977 9.5429 9.5431 9.6321 9.7243 9.7521 9.8100 9.8547 9.9528 9.9878 10.3401 10.4388 11.1032 11.1349 11.6022 11.6204 12.2831 12.2966 13.3670 13.3862 16.3489 16.3699 17.3438 17.3888 17.4035 17.4095 k = 0.3393 0.3393 0.3393 ( 2947 PWs) bands (ev): 4.3407 4.3416 5.4012 5.4135 5.6718 5.6878 6.1214 6.1322 6.6276 6.6497 6.9097 6.9675 7.5325 7.6108 7.7326 7.7806 7.7843 7.8314 7.8782 7.9197 7.9790 7.9876 8.0854 8.2281 8.4314 8.5201 8.5798 8.6521 8.7163 8.8455 9.0115 9.1437 9.2279 9.2939 9.3074 9.3627 9.5005 9.5354 9.5355 9.6394 9.7217 9.7431 9.8016 9.8573 9.9394 9.9706 10.2991 10.3945 11.0847 11.1189 11.5678 11.5817 12.2254 12.2386 13.2131 13.2328 16.4905 16.5095 17.4932 17.5355 17.5418 17.5474 k = 0.3482 0.3482 0.3482 ( 2959 PWs) bands (ev): 4.4363 4.4374 5.4062 5.4184 5.6744 5.6906 6.0909 6.1015 6.6441 6.6654 6.9014 6.9573 7.5317 7.6091 7.7222 7.7615 7.7822 7.8250 7.8702 7.9081 7.9654 7.9729 8.0705 8.2129 8.4283 8.5143 8.5816 8.6490 8.6866 8.8072 8.9805 9.0991 9.2459 9.3176 9.3257 9.3690 9.5013 9.5317 9.5331 9.6462 9.7252 9.7359 9.7952 9.8626 9.9258 9.9531 10.2547 10.3452 11.0747 11.1119 11.5359 11.5453 12.1687 12.1818 13.0623 13.0826 16.6343 16.6516 17.6348 17.6620 17.6831 17.6913 k = 0.3571 0.3571 0.3571 ( 2965 PWs) bands (ev): 4.5319 4.5331 5.4125 5.4244 5.6773 5.6936 6.0607 6.0711 6.6631 6.6837 6.8958 6.9497 7.5296 7.6057 7.7099 7.7407 7.7805 7.8193 7.8627 7.8963 7.9529 7.9597 8.0561 8.1965 8.4227 8.5056 8.5798 8.6423 8.6564 8.7678 8.9417 9.0464 9.2666 9.3441 9.3472 9.3788 9.4990 9.5322 9.5369 9.6528 9.7304 9.7330 9.7913 9.8696 9.9122 9.9354 10.2091 10.2937 11.0714 11.1118 11.5064 11.5112 12.1129 12.1263 12.9152 12.9362 16.7802 16.7957 17.7642 17.7835 17.8159 17.8325 k = 0.3661 0.3661 0.3661 ( 2962 PWs) bands (ev): 4.6272 4.6286 5.4198 5.4316 5.6803 5.6967 6.0308 6.0410 6.6845 6.7044 6.8928 6.9447 7.5260 7.6000 7.6953 7.7182 7.7792 7.8144 7.8556 7.8846 7.9422 7.9483 8.0421 8.1790 8.4150 8.4941 8.5732 8.6272 8.6320 8.7275 8.8975 8.9896 9.2889 9.3625 9.3798 9.3914 9.4956 9.5370 9.5449 9.6595 9.7264 9.7430 9.7896 9.8777 9.8987 9.9175 10.1642 10.2419 11.0735 11.1169 11.4792 11.4793 12.0582 12.0721 12.7722 12.7941 16.9281 16.9419 17.8831 17.9003 17.9393 17.9600 k = 0.3750 0.3750 0.3750 ( 2962 PWs) bands (ev): 4.7218 4.7234 5.4282 5.4398 5.6834 5.6998 6.0012 6.0113 6.7082 6.7273 6.8928 6.9424 7.5204 7.5917 7.6783 7.6941 7.7784 7.8106 7.8492 7.8733 7.9333 7.9388 8.0282 8.1603 8.4053 8.4802 8.5591 8.6017 8.6182 8.6868 8.8496 8.9307 9.3120 9.3807 9.4061 9.4142 9.4931 9.5462 9.5547 9.6664 9.7236 9.7537 9.7896 9.8855 9.8867 9.8992 10.1215 10.1914 11.0798 11.1259 11.4498 11.4544 12.0046 12.0192 12.6339 12.6569 17.0779 17.0898 17.9941 18.0132 18.0487 18.0710 k = 0.3839 0.3839 0.3839 ( 2947 PWs) bands (ev): 4.8152 4.8171 5.4377 5.4491 5.6865 5.7027 5.9722 5.9821 6.7340 6.7523 6.8956 6.9430 7.5127 7.5804 7.6585 7.6681 7.7784 7.8081 7.8437 7.8630 7.9266 7.9314 8.0145 8.1408 8.3941 8.4642 8.5360 8.5821 8.6013 8.6460 8.7998 8.8711 9.3354 9.3987 9.4222 9.4498 9.4924 9.5597 9.5655 9.6733 9.7218 9.7637 9.7910 9.8729 9.8807 9.8964 10.0825 10.1433 11.0893 11.1379 11.4226 11.4321 11.9522 11.9676 12.5005 12.5246 17.2293 17.2395 18.0984 18.1227 18.1457 18.1675 k = 0.3929 0.3929 0.3929 ( 2947 PWs) bands (ev): 4.9071 4.9092 5.4483 5.4594 5.6894 5.7054 5.9436 5.9534 6.7617 6.7793 6.9015 6.9463 7.5026 7.5659 7.6360 7.6403 7.7790 7.8069 7.8390 7.8537 7.9219 7.9259 8.0009 8.1205 8.3817 8.4465 8.5072 8.5656 8.5817 8.6053 8.7490 8.8116 9.3586 9.4164 9.4390 9.4858 9.4937 9.5763 9.5771 9.6797 9.7208 9.7715 9.7934 9.8613 9.8620 9.9065 10.0483 10.0984 11.1013 11.1520 11.3979 11.4121 11.9009 11.9174 12.3724 12.3979 17.3822 17.3906 18.1955 18.2296 18.2366 18.2540 k = 0.4018 0.4018 0.4018 ( 2947 PWs) bands (ev): 4.9967 4.9991 5.4599 5.4708 5.6919 5.7077 5.9156 5.9252 6.7914 6.8082 6.9103 6.9524 7.4899 7.5481 7.6105 7.6105 7.7805 7.8071 7.8354 7.8457 7.9190 7.9223 7.9874 8.0996 8.3687 8.4278 8.4766 8.5489 8.5598 8.5653 8.6983 8.7532 9.3816 9.4337 9.4560 9.4971 9.5219 9.5869 9.5980 9.6853 9.7203 9.7761 9.7963 9.8432 9.8512 9.9169 10.0201 10.0571 11.1156 11.1679 11.3756 11.3945 11.8509 11.8687 12.2501 12.2770 17.5364 17.5429 18.2837 18.3277 18.3342 18.3345 k = 0.4107 0.4107 0.4107 ( 2956 PWs) bands (ev): 5.0835 5.0863 5.4724 5.4831 5.6941 5.7095 5.8880 5.8976 6.8228 6.8387 6.9221 6.9612 7.4745 7.5271 7.5787 7.5821 7.7827 7.8086 7.8330 7.8391 7.9175 7.9205 7.9741 8.0784 8.3557 8.4084 8.4463 8.5266 8.5310 8.5361 8.6486 8.6962 9.4043 9.4504 9.4728 9.5025 9.5573 9.5969 9.6215 9.6895 9.7200 9.7762 9.7997 9.8247 9.8429 9.9276 9.9987 10.0197 11.1316 11.1853 11.3560 11.3795 11.8021 11.8213 12.1340 12.1624 17.6917 17.6962 18.3643 18.4119 18.4210 18.4368 k = 0.4196 0.4196 0.4196 ( 2968 PWs) bands (ev): 5.1668 5.1701 5.4858 5.4964 5.6958 5.7108 5.8611 5.8706 6.8558 6.8708 6.9370 6.9729 7.4565 7.5031 7.5449 7.5508 7.7859 7.8115 7.8318 7.8338 7.9169 7.9200 7.9610 8.0570 8.3431 8.3890 8.4176 8.4897 8.5111 8.5116 8.6008 8.6416 9.4265 9.4667 9.4893 9.5097 9.5912 9.6057 9.6468 9.6920 9.7193 9.7720 9.8033 9.8071 9.8364 9.9382 9.9846 9.9862 11.1493 11.2040 11.3391 11.3671 11.7547 11.7754 12.0243 12.0543 17.8477 17.8502 18.4409 18.4878 18.5146 18.5378 k = 0.4286 0.4286 0.4286 ( 2968 PWs) bands (ev): 5.2460 5.2497 5.5003 5.5106 5.6969 5.7114 5.8347 5.8442 6.8903 6.9043 6.9549 6.9874 7.4360 7.4765 7.5093 7.5170 7.7902 7.8158 7.8300 7.8322 7.9166 7.9204 7.9485 8.0358 8.3315 8.3702 8.3913 8.4555 8.4853 8.4912 8.5556 8.5898 9.4486 9.4826 9.5053 9.5184 9.6132 9.6223 9.6731 9.6931 9.7174 9.7643 9.7918 9.8069 9.8313 9.9489 9.9565 9.9776 11.1686 11.2240 11.3252 11.3576 11.7088 11.7309 11.9217 11.9532 18.0041 18.0045 18.5157 18.5631 18.6075 18.6370 k = 0.4375 0.4375 0.4375 ( 2962 PWs) bands (ev): 5.3202 5.3244 5.5156 5.5257 5.6972 5.7112 5.8089 5.8185 6.9261 6.9390 6.9757 7.0045 7.4129 7.4474 7.4720 7.4807 7.7955 7.8214 7.8275 7.8341 7.9160 7.9212 7.9368 8.0148 8.3213 8.3526 8.3684 8.4246 8.4592 8.4699 8.5137 8.5414 9.4704 9.4981 9.5209 9.5282 9.6191 9.6475 9.6940 9.6991 9.7125 9.7553 9.7805 9.8104 9.8275 9.9303 9.9594 9.9763 11.1894 11.2453 11.3145 11.3512 11.6643 11.6880 11.8264 11.8594 18.1587 18.1606 18.5898 18.6382 18.6989 18.7345 k = 0.4464 0.4464 0.4464 ( 2956 PWs) bands (ev): 5.3885 5.3933 5.5317 5.5416 5.6965 5.7100 5.7837 5.7933 6.9631 6.9748 6.9994 7.0244 7.3876 7.4162 7.4334 7.4424 7.8016 7.8263 7.8282 7.8377 7.9138 7.9216 7.9266 7.9943 8.3129 8.3367 8.3494 8.3977 8.4334 8.4484 8.4756 8.4969 9.4919 9.5134 9.5360 9.5388 9.6229 9.6608 9.6968 9.7035 9.7240 9.7491 9.7748 9.8136 9.8249 9.9071 9.9696 9.9790 11.2115 11.2678 11.3073 11.3483 11.6215 11.6466 11.7391 11.7734 18.3121 18.3167 18.6636 18.7135 18.7884 18.8300 k = 0.4554 0.4554 0.4554 ( 2956 PWs) bands (ev): 5.4503 5.4557 5.5488 5.5584 5.6945 5.7075 5.7591 5.7687 7.0010 7.0112 7.0260 7.0469 7.3600 7.3831 7.3937 7.4024 7.8084 7.8262 7.8360 7.8430 7.9085 7.9190 7.9209 7.9744 8.3067 8.3234 8.3351 8.3752 8.4084 8.4269 8.4416 8.4567 9.5131 9.5286 9.5497 9.5505 9.6247 9.6612 9.6905 9.6958 9.7467 9.7529 9.7746 9.8164 9.8234 9.8866 9.9792 9.9841 11.2349 11.2915 11.3041 11.3492 11.5804 11.6067 11.6600 11.6953 18.4638 18.4716 18.7372 18.7888 18.8754 18.9230 k = 0.4643 0.4643 0.4643 ( 2962 PWs) bands (ev): 5.5048 5.5108 5.5666 5.5760 5.6908 5.7034 5.7351 5.7448 7.0397 7.0482 7.0552 7.0720 7.3305 7.3483 7.3534 7.3613 7.8155 7.8271 7.8447 7.8501 7.9011 7.9133 7.9185 7.9553 8.3029 8.3135 8.3258 8.3575 8.3854 8.4060 8.4120 8.4214 9.5340 9.5437 9.5607 9.5645 9.6242 9.6552 9.6752 9.6854 9.7664 9.7666 9.7782 9.8184 9.8224 9.8684 9.9879 9.9902 11.2595 11.3052 11.3165 11.3543 11.5413 11.5683 11.5898 11.6255 18.6126 18.6246 18.8105 18.8642 18.9586 19.0126 k = 0.4732 0.4732 0.4732 ( 2968 PWs) bands (ev): 5.5515 5.5582 5.5851 5.5942 5.6849 5.6971 5.7117 5.7217 7.0789 7.0855 7.0871 7.0997 7.2991 7.3121 7.3131 7.3196 7.8226 7.8288 7.8542 7.8588 7.8941 7.9074 7.9141 7.9371 8.3018 8.3076 8.3218 8.3447 8.3655 8.3861 8.3865 8.3912 9.5547 9.5588 9.5713 9.5778 9.6218 9.6467 9.6590 9.6701 9.7817 9.7832 9.7845 9.8195 9.8214 9.8522 9.9953 9.9962 11.2848 11.3108 11.3428 11.3644 11.5045 11.5292 11.5315 11.5641 18.7563 18.7741 18.8830 18.9395 19.0361 19.0964 k = 0.4821 0.4821 0.4821 ( 2980 PWs) bands (ev): 5.5903 5.5974 5.6045 5.6131 5.6760 5.6879 5.6889 5.6993 7.1185 7.1214 7.1227 7.1300 7.2661 7.2734 7.2747 7.2778 7.8286 7.8309 7.8646 7.8687 7.8892 7.9009 7.9076 7.9199 8.3033 8.3057 8.3229 8.3368 8.3498 8.3653 8.3665 8.3678 9.5738 9.5750 9.5813 9.5907 9.6178 9.6368 9.6427 9.6525 9.7926 9.7951 9.7963 9.8192 9.8199 9.8377 10.0010 10.0013 11.3099 11.3209 11.3705 11.3799 11.4710 11.4795 11.4962 11.5112 18.8904 18.9181 18.9536 19.0142 19.1029 19.1680 k = 0.4911 0.4911 0.4911 ( 3016 PWs) bands (ev): 5.6213 5.6245 5.6282 5.6321 5.6631 5.6668 5.6754 5.6782 7.1580 7.1580 7.1598 7.1626 7.2318 7.2346 7.2364 7.2366 7.8324 7.8328 7.8762 7.8790 7.8873 7.8944 7.8990 7.9039 8.3065 8.3070 8.3285 8.3344 8.3396 8.3482 8.3488 8.3516 9.5875 9.5899 9.5950 9.6028 9.6133 9.6259 9.6269 9.6339 9.8019 9.8054 9.8058 9.8170 9.8170 9.8245 10.0045 10.0046 11.3313 11.3334 11.3996 11.4016 11.4434 11.4436 11.4624 11.4666 19.0034 19.0187 19.0516 19.0880 19.1470 19.1977 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 5.6453 5.6453 5.6453 5.6453 5.6453 5.6453 5.6644 5.6644 7.1955 7.1955 7.1974 7.1974 7.1974 7.1974 7.1974 7.1974 7.8337 7.8337 7.8894 7.8894 7.8894 7.8894 7.8894 7.8894 8.3086 8.3086 8.3383 8.3383 8.3383 8.3383 8.3383 8.3383 9.5946 9.5946 9.6146 9.6146 9.6146 9.6146 9.6146 9.6146 9.8126 9.8126 9.8126 9.8126 9.8126 9.8126 10.0058 10.0058 11.3407 11.3407 11.4303 11.4303 11.4303 11.4303 11.4303 11.4303 19.0562 19.0562 19.1604 19.1604 19.1604 19.1604 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 5.6453 5.6453 5.6453 5.6453 5.6453 5.6453 5.6644 5.6644 7.1955 7.1955 7.1974 7.1974 7.1974 7.1974 7.1974 7.1974 7.8337 7.8337 7.8894 7.8894 7.8894 7.8894 7.8894 7.8894 8.3086 8.3086 8.3383 8.3383 8.3383 8.3383 8.3383 8.3383 9.5946 9.5946 9.6146 9.6146 9.6146 9.6146 9.6146 9.6146 9.8126 9.8126 9.8126 9.8126 9.8126 9.8126 10.0058 10.0058 11.3407 11.3407 11.4303 11.4303 11.4303 11.4303 11.4303 11.4303 19.0562 19.0562 19.1604 19.1604 19.1604 19.1604 k = 0.4891 0.5000 0.4891 ( 3016 PWs) bands (ev): 5.6231 5.6231 5.6302 5.6302 5.6649 5.6649 5.6767 5.6767 7.1583 7.1583 7.1614 7.1614 7.2330 7.2330 7.2362 7.2362 7.8326 7.8326 7.8774 7.8774 7.8905 7.8905 7.9020 7.9020 8.3068 8.3068 8.3307 8.3307 8.3439 8.3439 8.3508 8.3508 9.5886 9.5886 9.5984 9.5984 9.6190 9.6190 9.6317 9.6317 9.8027 9.8027 9.8110 9.8110 9.8222 9.8222 10.0046 10.0046 11.3325 11.3325 11.4008 11.4008 11.4433 11.4433 11.4643 11.4643 19.0111 19.0111 19.0668 19.0668 19.1749 19.1749 k = 0.4783 0.5000 0.4783 ( 2984 PWs) bands (ev): 5.5977 5.5977 5.6054 5.6054 5.6824 5.6824 5.6934 5.6934 7.1208 7.1208 7.1268 7.1268 7.2692 7.2692 7.2755 7.2755 7.8297 7.8297 7.8664 7.8664 7.8939 7.8939 7.9151 7.9151 8.3046 8.3046 8.3284 8.3284 8.3578 8.3578 8.3677 8.3677 9.5751 9.5751 9.5847 9.5847 9.6267 9.6267 9.6487 9.6487 9.7922 9.7922 9.8065 9.8065 9.8317 9.8317 10.0012 10.0012 11.3156 11.3156 11.3756 11.3756 11.4745 11.4745 11.5034 11.5034 18.9185 18.9185 18.9549 18.9549 19.1840 19.1840 k = 0.4674 0.5000 0.4674 ( 2972 PWs) bands (ev): 5.5686 5.5686 5.5762 5.5762 5.6984 5.6984 5.7092 5.7092 7.0848 7.0848 7.0935 7.0935 7.3049 7.3049 7.3143 7.3143 7.8255 7.8255 7.8563 7.8563 7.8985 7.8985 7.9282 7.9282 8.3047 8.3047 8.3316 8.3316 8.3768 8.3768 8.3886 8.3886 9.5582 9.5582 9.5727 9.5727 9.6341 9.6341 9.6650 9.6650 9.7809 9.7809 9.7992 9.7992 9.8415 9.8415 9.9957 9.9957 11.2980 11.2980 11.3542 11.3542 11.5155 11.5155 11.5475 11.5475 18.8074 18.8074 18.8336 18.8336 19.1747 19.1747 k = 0.4565 0.5000 0.4565 ( 2968 PWs) bands (ev): 5.5356 5.5356 5.5429 5.5429 5.7135 5.7135 5.7242 5.7242 7.0505 7.0505 7.0621 7.0621 7.3394 7.3394 7.3523 7.3523 7.8205 7.8205 7.8473 7.8473 7.9040 7.9040 7.9409 7.9409 8.3082 8.3082 8.3401 8.3401 8.3994 8.3994 8.4132 8.4132 9.5405 9.5405 9.5608 9.5608 9.6401 9.6401 9.6798 9.6798 9.7694 9.7694 9.7897 9.7897 9.8518 9.8518 9.9887 9.9887 11.2823 11.2823 11.3364 11.3364 11.5635 11.5635 11.5969 11.5969 18.6865 18.6865 18.7068 18.7068 19.1502 19.1502 k = 0.4457 0.5000 0.4457 ( 2952 PWs) bands (ev): 5.4985 5.4985 5.5054 5.5054 5.7282 5.7282 5.7388 5.7388 7.0182 7.0182 7.0327 7.0327 7.3723 7.3723 7.3890 7.3890 7.8155 7.8155 7.8398 7.8398 7.9101 7.9101 7.9531 7.9531 8.3156 8.3156 8.3537 8.3537 8.4249 8.4249 8.4415 8.4415 9.5224 9.5224 9.5488 9.5488 9.6443 9.6443 9.6911 9.6911 9.7588 9.7588 9.7792 9.7792 9.8633 9.8633 9.9809 9.9809 11.2690 11.2690 11.3216 11.3216 11.6176 11.6176 11.6518 11.6518 18.5595 18.5595 18.5764 18.5764 19.1139 19.1139 k = 0.4348 0.5000 0.4348 ( 2948 PWs) bands (ev): 5.4575 5.4575 5.4639 5.4639 5.7427 5.7427 5.7533 5.7533 6.9881 6.9881 7.0054 7.0054 7.4032 7.4032 7.4238 7.4238 7.8107 7.8107 7.8339 7.8339 7.9165 7.9165 7.9646 7.9646 8.3267 8.3267 8.3719 8.3719 8.4527 8.4527 8.4733 8.4733 9.5039 9.5039 9.5368 9.5368 9.6456 9.6456 9.6954 9.6954 9.7505 9.7505 9.7706 9.7706 9.8761 9.8761 9.9732 9.9732 11.2580 11.2580 11.3095 11.3095 11.6774 11.6774 11.7120 11.7120 18.4285 18.4285 18.4437 18.4437 19.0671 19.0671 k = 0.4239 0.5000 0.4239 ( 2948 PWs) bands (ev): 5.4126 5.4126 5.4187 5.4187 5.7574 5.7574 5.7680 5.7680 6.9604 6.9604 6.9805 6.9805 7.4317 7.4317 7.4565 7.4565 7.8066 7.8066 7.8298 7.8298 7.9230 7.9230 7.9754 7.9754 8.3413 8.3413 8.3939 8.3939 8.4823 8.4823 8.5083 8.5083 9.4852 9.4852 9.5247 9.5247 9.6432 9.6432 9.6907 9.6907 9.7415 9.7415 9.7703 9.7703 9.8906 9.8906 9.9663 9.9663 11.2492 11.2492 11.2998 11.2998 11.7426 11.7426 11.7776 11.7776 18.2946 18.2946 18.3094 18.3094 19.0104 19.0104 k = 0.4130 0.5000 0.4130 ( 2958 PWs) bands (ev): 5.3643 5.3643 5.3699 5.3699 5.7725 5.7725 5.7831 5.7831 6.9350 6.9350 6.9580 6.9580 7.4574 7.4574 7.4866 7.4866 7.8035 7.8035 7.8280 7.8280 7.9298 7.9298 7.9854 7.9854 8.3586 8.3586 8.4191 8.4191 8.5134 8.5134 8.5459 8.5459 9.4661 9.4661 9.5125 9.5125 9.6359 9.6359 9.6802 9.6802 9.7302 9.7302 9.7779 9.7779 9.9069 9.9069 9.9614 9.9614 11.2423 11.2423 11.2922 11.2922 11.8130 11.8130 11.8484 11.8484 18.1586 18.1586 18.1739 18.1739 18.9429 18.9429 k = 0.4022 0.5000 0.4022 ( 2962 PWs) bands (ev): 5.3128 5.3128 5.3180 5.3180 5.7881 5.7881 5.7988 5.7988 6.9121 6.9121 6.9378 6.9378 7.4801 7.4801 7.5137 7.5137 7.8017 7.8017 7.8285 7.8285 7.9367 7.9367 7.9950 7.9950 8.3783 8.3783 8.4465 8.4465 8.5460 8.5460 8.5858 8.5858 9.4467 9.4467 9.5003 9.5003 9.6235 9.6235 9.6672 9.6672 9.7195 9.7195 9.7879 9.7879 9.9250 9.9250 9.9600 9.9600 11.2370 11.2370 11.2865 11.2865 11.8887 11.8887 11.9245 11.9245 18.0212 18.0212 18.0376 18.0376 18.8635 18.8635 k = 0.3913 0.5000 0.3913 ( 2962 PWs) bands (ev): 5.2586 5.2586 5.2634 5.2634 5.8044 5.8044 5.8151 5.8151 6.8916 6.8916 6.9200 6.9200 7.4998 7.4998 7.5377 7.5377 7.8017 7.8017 7.8319 7.8319 7.9439 7.9439 8.0043 8.0043 8.3996 8.3996 8.4752 8.4752 8.5795 8.5795 8.6272 8.6272 9.4270 9.4270 9.4880 9.4880 9.6076 9.6076 9.6525 9.6525 9.7111 9.7111 9.7970 9.7970 9.9438 9.9438 9.9644 9.9644 11.2330 11.2330 11.2823 11.2823 11.9694 11.9694 12.0056 12.0056 17.8827 17.8827 17.9008 17.9008 18.7708 18.7708 k = 0.3804 0.5000 0.3804 ( 2958 PWs) bands (ev): 5.2022 5.2022 5.2066 5.2066 5.8212 5.8212 5.8321 5.8321 6.8736 6.8736 6.9047 6.9047 7.5164 7.5164 7.5583 7.5583 7.8036 7.8036 7.8380 7.8380 7.9514 7.9514 8.0136 8.0136 8.4218 8.4218 8.5043 8.5043 8.6138 8.6138 8.6695 8.6695 9.4071 9.4071 9.4754 9.4754 9.5904 9.5904 9.6362 9.6362 9.7048 9.7048 9.8036 9.8036 9.9599 9.9599 9.9790 9.9790 11.2301 11.2301 11.2794 11.2794 12.0552 12.0552 12.0918 12.0918 17.7437 17.7437 17.7637 17.7637 18.6639 18.6639 k = 0.3696 0.5000 0.3696 ( 2960 PWs) bands (ev): 5.1439 5.1439 5.1480 5.1480 5.8386 5.8386 5.8497 5.8497 6.8579 6.8579 6.8917 6.8917 7.5300 7.5300 7.5753 7.5753 7.8075 7.8075 7.8468 7.8468 7.9592 7.9592 8.0229 8.0229 8.4445 8.4445 8.5329 8.5329 8.6483 8.6483 8.7120 8.7120 9.3871 9.3871 9.4620 9.4620 9.5736 9.5736 9.6192 9.6192 9.7002 9.7002 9.8070 9.8070 9.9748 9.9748 10.0027 10.0027 11.2281 11.2281 11.2777 11.2777 12.1457 12.1457 12.1827 12.1827 17.6043 17.6043 17.6266 17.6266 18.5433 18.5433 k = 0.3587 0.5000 0.3587 ( 2956 PWs) bands (ev): 5.0843 5.0843 5.0881 5.0881 5.8565 5.8565 5.8679 5.8679 6.8446 6.8446 6.8809 6.8809 7.5410 7.5410 7.5889 7.5889 7.8134 7.8134 7.8580 7.8580 7.9675 7.9675 8.0323 8.0323 8.4672 8.4672 8.5604 8.5604 8.6824 8.6824 8.7539 8.7539 9.3673 9.3673 9.4477 9.4477 9.5584 9.5584 9.6025 9.6025 9.6966 9.6966 9.8075 9.8075 9.9929 9.9929 10.0309 10.0309 11.2269 11.2269 11.2771 11.2771 12.2410 12.2410 12.2784 12.2784 17.4649 17.4649 17.4896 17.4896 18.4105 18.4105 k = 0.3478 0.5000 0.3478 ( 2960 PWs) bands (ev): 5.0236 5.0236 5.0272 5.0272 5.8749 5.8749 5.8865 5.8865 6.8336 6.8336 6.8725 6.8725 7.5496 7.5496 7.5996 7.5996 7.8211 7.8211 7.8712 7.8712 7.9763 7.9763 8.0419 8.0419 8.4894 8.4894 8.5863 8.5863 8.7157 8.7157 8.7942 8.7942 9.3481 9.3481 9.4324 9.4324 9.5455 9.5455 9.5872 9.5872 9.6937 9.6937 9.8059 9.8059 10.0151 10.0151 10.0620 10.0620 11.2262 11.2262 11.2772 11.2772 12.3410 12.3410 12.3785 12.3785 17.3256 17.3256 17.3530 17.3530 18.2680 18.2680 k = 0.3370 0.5000 0.3370 ( 2956 PWs) bands (ev): 4.9624 4.9624 4.9657 4.9657 5.8936 5.8936 5.9056 5.9056 6.8250 6.8250 6.8664 6.8664 7.5564 7.5564 7.6078 7.6078 7.8302 7.8302 7.8857 7.8857 7.9859 7.9859 8.0517 8.0517 8.5108 8.5108 8.6101 8.6101 8.7475 8.7475 8.8323 8.8323 9.3299 9.3299 9.4163 9.4163 9.5346 9.5346 9.5742 9.5742 9.6917 9.6917 9.8029 9.8029 10.0410 10.0410 10.0958 10.0958 11.2260 11.2260 11.2780 11.2780 12.4453 12.4453 12.4831 12.4831 17.1867 17.1867 17.2169 17.2169 18.1185 18.1185 k = 0.3261 0.5000 0.3261 ( 2960 PWs) bands (ev): 4.9009 4.9009 4.9040 4.9040 5.9125 5.9125 5.9249 5.9249 6.8186 6.8186 6.8624 6.8624 7.5619 7.5619 7.6140 7.6140 7.8403 7.8403 7.9008 7.9008 7.9962 7.9962 8.0615 8.0615 8.5311 8.5311 8.6315 8.6315 8.7773 8.7773 8.8672 8.8672 9.3135 9.3135 9.3999 9.3999 9.5250 9.5250 9.5645 9.5645 9.6906 9.6906 9.7993 9.7993 10.0701 10.0701 10.1319 10.1319 11.2261 11.2261 11.2794 11.2794 12.5540 12.5540 12.5919 12.5919 17.0483 17.0483 17.0815 17.0815 17.9643 17.9643 k = 0.3152 0.5000 0.3152 ( 2956 PWs) bands (ev): 4.8395 4.8395 4.8424 4.8424 5.9316 5.9316 5.9444 5.9444 6.8146 6.8146 6.8607 6.8607 7.5663 7.5663 7.6189 7.6189 7.8510 7.8510 7.9159 7.9159 8.0074 8.0074 8.0713 8.0713 8.5501 8.5501 8.6503 8.6503 8.8046 8.8046 8.8980 8.8980 9.2994 9.2994 9.3841 9.3841 9.5160 9.5160 9.5588 9.5588 9.6909 9.6909 9.7959 9.7959 10.1022 10.1022 10.1704 10.1704 11.2265 11.2265 11.2813 11.2813 12.6668 12.6668 12.7046 12.7046 16.9106 16.9106 16.9470 16.9470 17.8073 17.8073 k = 0.3043 0.5000 0.3043 ( 2952 PWs) bands (ev): 4.7784 4.7784 4.7811 4.7811 5.9507 5.9507 5.9639 5.9639 6.8128 6.8128 6.8612 6.8612 7.5702 7.5702 7.6230 7.6230 7.8620 7.8620 7.9303 7.9303 8.0196 8.0196 8.0809 8.0809 8.5675 8.5675 8.6661 8.6661 8.8293 8.8293 8.9239 8.9239 9.2881 9.2881 9.3696 9.3696 9.5072 9.5072 9.5567 9.5567 9.6927 9.6927 9.7931 9.7931 10.1370 10.1370 10.2110 10.2110 11.2270 11.2270 11.2835 11.2835 12.7833 12.7833 12.8211 12.8211 16.7739 16.7739 16.8135 16.8135 17.6492 17.6492 k = 0.2935 0.5000 0.2935 ( 2952 PWs) bands (ev): 4.7179 4.7179 4.7204 4.7204 5.9696 5.9696 5.9833 5.9833 6.8132 6.8132 6.8638 6.8638 7.5738 7.5738 7.6266 7.6266 7.8730 7.8730 7.9437 7.9437 8.0326 8.0326 8.0901 8.0901 8.5831 8.5831 8.6789 8.6789 8.8512 8.8512 8.9444 8.9444 9.2798 9.2798 9.3571 9.3571 9.4988 9.4988 9.5573 9.5573 9.6964 9.6964 9.7917 9.7917 10.1742 10.1742 10.2536 10.2536 11.2276 11.2276 11.2859 11.2859 12.9033 12.9033 12.9409 12.9409 16.6384 16.6384 16.6812 16.6812 17.4913 17.4913 k = 0.2826 0.5000 0.2826 ( 2942 PWs) bands (ev): 4.6583 4.6583 4.6606 4.6606 5.9882 5.9882 6.0025 6.0025 6.8157 6.8157 6.8685 6.8685 7.5774 7.5774 7.6301 7.6301 7.8838 7.8838 7.9560 7.9560 8.0459 8.0459 8.0990 8.0990 8.5969 8.5969 8.6884 8.6884 8.8706 8.8706 8.9595 8.9595 9.2744 9.2744 9.3473 9.3473 9.4913 9.4913 9.5596 9.5596 9.7024 9.7024 9.7921 9.7921 10.2139 10.2139 10.2983 10.2983 11.2283 11.2283 11.2886 11.2886 13.0263 13.0263 13.0637 13.0637 16.5042 16.5042 16.5504 16.5504 17.3349 17.3349 k = 0.2717 0.5000 0.2717 ( 2940 PWs) bands (ev): 4.5997 4.5997 4.6019 4.6019 6.0065 6.0065 6.0213 6.0213 6.8204 6.8204 6.8751 6.8751 7.5811 7.5811 7.6337 7.6337 7.8942 7.8942 7.9670 7.9670 8.0591 8.0591 8.1076 8.1076 8.6084 8.6084 8.6947 8.6947 8.8878 8.8878 8.9698 8.9698 9.2709 9.2709 9.3403 9.3403 9.4847 9.4847 9.5626 9.5626 9.7106 9.7106 9.7949 9.7949 10.2558 10.2558 10.3446 10.3446 11.2290 11.2290 11.2913 11.2913 13.1518 13.1518 13.1889 13.1889 16.3715 16.3715 16.4212 16.4212 17.1810 17.1810 k = 0.2609 0.5000 0.2609 ( 2944 PWs) bands (ev): 4.5423 4.5423 4.5444 4.5444 6.0243 6.0243 6.0396 6.0396 6.8270 6.8270 6.8836 6.8836 7.5852 7.5852 7.6375 7.6375 7.9042 7.9042 7.9769 7.9769 8.0712 8.0712 8.1159 8.1159 8.6176 8.6176 8.6980 8.6980 8.9031 8.9031 8.9764 8.9764 9.2686 9.2686 9.3364 9.3364 9.4793 9.4793 9.5656 9.5656 9.7211 9.7211 9.8004 9.8004 10.2997 10.2997 10.3926 10.3926 11.2297 11.2297 11.2942 11.2942 13.2790 13.2790 13.3159 13.3159 16.2407 16.2407 16.2940 16.2940 17.0308 17.0308 k = 0.2500 0.5000 0.2500 ( 2952 PWs) bands (ev): 4.4863 4.4863 4.4883 4.4883 6.0414 6.0414 6.0574 6.0574 6.8354 6.8354 6.8938 6.8938 7.5898 7.5898 7.6417 7.6417 7.9136 7.9136 7.9858 7.9858 8.0815 8.0815 8.1244 8.1244 8.6240 8.6240 8.6987 8.6987 8.9167 8.9167 8.9809 8.9809 9.2663 9.2663 9.3350 9.3350 9.4751 9.4751 9.5684 9.5684 9.7335 9.7335 9.8089 9.8089 10.3455 10.3455 10.4421 10.4421 11.2305 11.2305 11.2971 11.2971 13.4072 13.4072 13.4438 13.4438 16.1121 16.1121 16.1689 16.1689 16.8854 16.8854 k = 0.2391 0.5000 0.2391 ( 2936 PWs) bands (ev): 4.4319 4.4319 4.4338 4.4338 6.0580 6.0580 6.0745 6.0745 6.8456 6.8456 6.9056 6.9056 7.5951 7.5951 7.6466 7.6466 7.9224 7.9224 7.9941 7.9941 8.0893 8.0893 8.1334 8.1334 8.6276 8.6276 8.6974 8.6974 8.9286 8.9286 8.9851 8.9851 9.2637 9.2637 9.3356 9.3356 9.4726 9.4726 9.5711 9.5711 9.7476 9.7476 9.8204 9.8204 10.3930 10.3930 10.4928 10.4928 11.2314 11.2314 11.3002 11.3002 13.5352 13.5352 13.5715 13.5715 15.9859 15.9859 16.0465 16.0465 16.7462 16.7462 k = 0.2283 0.5000 0.2283 ( 2936 PWs) bands (ev): 4.3792 4.3792 4.3810 4.3810 6.0739 6.0739 6.0909 6.0909 6.8572 6.8572 6.9187 6.9187 7.6010 7.6010 7.6521 7.6521 7.9305 7.9305 8.0016 8.0016 8.0944 8.0944 8.1425 8.1425 8.6279 8.6279 8.6948 8.6948 8.9383 8.9383 8.9907 8.9907 9.2602 9.2602 9.3370 9.3370 9.4717 9.4717 9.5736 9.5736 9.7627 9.7627 9.8345 9.8345 10.4420 10.4420 10.5445 10.5445 11.2327 11.2327 11.3034 11.3034 13.6616 13.6616 13.6974 13.6974 15.8627 15.8627 15.9271 15.9271 16.6148 16.6148 k = 0.2174 0.5000 0.2174 ( 2938 PWs) bands (ev): 4.3284 4.3284 4.3300 4.3300 6.0890 6.0890 6.1066 6.1066 6.8701 6.8701 6.9329 6.9329 7.6077 7.6077 7.6582 7.6582 7.9379 7.9379 8.0084 8.0084 8.0970 8.0970 8.1515 8.1515 8.6250 8.6250 8.6914 8.6914 8.9455 8.9455 8.9990 8.9990 9.2558 9.2558 9.3385 9.3385 9.4726 9.4726 9.5765 9.5765 9.7786 9.7786 9.8505 9.8505 10.4919 10.4919 10.5966 10.5966 11.2345 11.2345 11.3071 11.3071 13.7843 13.7843 13.8198 13.8198 15.7428 15.7428 15.8111 15.8111 16.4930 16.4930 k = 0.2065 0.5000 0.2065 ( 2930 PWs) bands (ev): 4.2794 4.2794 4.2809 4.2809 6.1034 6.1034 6.1215 6.1215 6.8841 6.8841 6.9480 6.9480 7.6152 7.6152 7.6652 7.6652 7.9445 7.9445 8.0147 8.0147 8.0977 8.0977 8.1599 8.1599 8.6195 8.6195 8.6874 8.6874 8.9508 8.9508 9.0100 9.0100 9.2507 9.2507 9.3395 9.3395 9.4756 9.4756 9.5803 9.5803 9.7950 9.7950 9.8680 9.8680 10.5425 10.5425 10.6488 10.6488 11.2372 11.2372 11.3114 11.3114 13.9009 13.9009 13.9359 13.9359 15.6270 15.6270 15.6993 15.6993 16.3833 16.3833 k = 0.1957 0.5000 0.1957 ( 2934 PWs) bands (ev): 4.2325 4.2325 4.2339 4.2339 6.1171 6.1171 6.1357 6.1357 6.8988 6.8988 6.9637 6.9637 7.6235 7.6235 7.6729 7.6729 7.9502 7.9502 8.0202 8.0202 8.0967 8.0967 8.1671 8.1671 8.6119 8.6119 8.6829 8.6829 8.9552 8.9552 9.0229 9.0229 9.2445 9.2445 9.3393 9.3393 9.4809 9.4809 9.5855 9.5855 9.8114 9.8114 9.8862 9.8862 10.5930 10.5930 10.7001 10.7001 11.2415 11.2415 11.3166 11.3166 14.0080 14.0080 14.0426 14.0426 15.5158 15.5158 15.5921 15.5921 16.2888 16.2888 k = 0.1848 0.5000 0.1848 ( 2940 PWs) bands (ev): 4.1877 4.1877 4.1890 4.1890 6.1300 6.1300 6.1491 6.1491 6.9139 6.9139 6.9797 6.9797 7.6326 7.6326 7.6815 7.6815 7.9552 7.9552 8.0250 8.0250 8.0947 8.0947 8.1729 8.1729 8.6028 8.6028 8.6779 8.6779 8.9595 8.9595 9.0367 9.0367 9.2375 9.2375 9.3376 9.3376 9.4887 9.4887 9.5925 9.5925 9.8276 9.8276 9.9046 9.9046 10.6426 10.6426 10.7495 10.7495 11.2480 11.2480 11.3235 11.3235 14.1016 14.1016 14.1357 14.1357 15.4101 15.4101 15.4902 15.4902 16.2135 16.2135 k = 0.1739 0.5000 0.1739 ( 2940 PWs) bands (ev): 4.1451 4.1451 4.1463 4.1463 6.1421 6.1421 6.1618 6.1618 6.9292 6.9292 6.9957 6.9957 7.6426 7.6426 7.6909 7.6909 7.9593 7.9593 8.0289 8.0289 8.0922 8.0922 8.1773 8.1773 8.5931 8.5931 8.6723 8.6723 8.9641 8.9641 9.0508 9.0508 9.2300 9.2300 9.3344 9.3344 9.4991 9.4991 9.6017 9.6017 9.8434 9.8434 9.9227 9.9227 10.6905 10.6905 10.7958 10.7958 11.2580 11.2580 11.3326 11.3326 14.1770 14.1770 14.2106 14.2106 15.3105 15.3105 15.3939 15.3939 16.1619 16.1619 k = 0.1630 0.5000 0.1630 ( 2940 PWs) bands (ev): 4.1047 4.1047 4.1059 4.1059 6.1536 6.1536 6.1737 6.1737 6.9444 6.9444 7.0115 7.0115 7.6534 7.6534 7.7012 7.7012 7.9627 7.9627 8.0316 8.0316 8.0897 8.0897 8.1801 8.1801 8.5831 8.5831 8.6665 8.6665 8.9691 8.9691 9.0645 9.0645 9.2221 9.2221 9.3297 9.3297 9.5120 9.5120 9.6133 9.6133 9.8586 9.8586 9.9403 9.9403 10.7352 10.7352 10.8373 10.8373 11.2725 11.2725 11.3451 11.3451 14.2297 14.2297 14.2630 14.2630 15.2176 15.2176 15.3033 15.3033 16.1388 16.1388 k = 0.1522 0.5000 0.1522 ( 2934 PWs) bands (ev): 4.0667 4.0667 4.0678 4.0678 6.1643 6.1643 6.1850 6.1850 6.9593 6.9593 7.0268 7.0268 7.6649 7.6649 7.7124 7.7124 7.9654 7.9654 8.0328 8.0328 8.0876 8.0876 8.1815 8.1815 8.5733 8.5733 8.6604 8.6604 8.9744 8.9744 9.0775 9.0775 9.2142 9.2142 9.3237 9.3237 9.5272 9.5272 9.6273 9.6273 9.8731 9.8731 9.9569 9.9569 10.7756 10.7756 10.8723 10.8723 11.2930 11.2930 11.3620 11.3620 14.2568 14.2568 14.2900 14.2900 15.1314 15.1314 15.2178 15.2178 16.1475 16.1475 k = 0.1413 0.5000 0.1413 ( 2934 PWs) bands (ev): 4.0311 4.0311 4.0321 4.0321 6.1744 6.1744 6.1955 6.1955 6.9735 6.9735 7.0414 7.0414 7.6769 7.6769 7.7245 7.7245 7.9674 7.9674 8.0324 8.0324 8.0863 8.0863 8.1814 8.1814 8.5638 8.5638 8.6544 8.6544 8.9797 8.9797 9.0895 9.0895 9.2065 9.2065 9.3165 9.3165 9.5443 9.5443 9.6437 9.6437 9.8868 9.8868 9.9725 9.9725 10.8102 10.8102 10.8998 10.8998 11.3199 11.3199 11.3847 11.3847 14.2582 14.2582 14.2914 14.2914 15.0513 15.0513 15.1370 15.1370 16.1889 16.1889 k = 0.1304 0.5000 0.1304 ( 2930 PWs) bands (ev): 3.9980 3.9980 3.9989 3.9989 6.1838 6.1838 6.2054 6.2054 6.9870 6.9870 7.0552 7.0552 7.6895 7.6895 7.7373 7.7373 7.9686 7.9686 8.0305 8.0305 8.0859 8.0859 8.1802 8.1802 8.5549 8.5549 8.6486 8.6486 8.9848 8.9848 9.1001 9.1001 9.1995 9.1995 9.3086 9.3086 9.5630 9.5630 9.6622 9.6622 9.8997 9.8997 9.9869 9.9869 10.8379 10.8379 10.9193 10.9193 11.3531 11.3531 11.4141 11.4141 14.2367 14.2367 14.2699 14.2699 14.9766 14.9766 15.0602 15.0602 16.2609 16.2609 k = 0.1196 0.5000 0.1196 ( 2930 PWs) bands (ev): 3.9673 3.9673 3.9682 3.9682 6.1925 6.1925 6.2147 6.2147 6.9995 6.9995 7.0678 7.0678 7.7023 7.7023 7.7507 7.7507 7.9691 7.9691 8.0272 8.0272 8.0863 8.0863 8.1781 8.1781 8.5464 8.5464 8.6431 8.6431 8.9894 8.9894 9.1091 9.1091 9.1935 9.1935 9.3001 9.3001 9.5828 9.5828 9.6826 9.6826 9.9118 9.9118 10.0000 10.0000 10.8581 10.8581 10.9313 10.9313 11.3916 11.3916 11.4506 11.4506 14.1972 14.1972 14.2303 14.2303 14.9064 14.9064 14.9872 14.9872 16.3590 16.3590 k = 0.1087 0.5000 0.1087 ( 2934 PWs) bands (ev): 3.9392 3.9392 3.9400 3.9400 6.2005 6.2005 6.2232 6.2232 7.0109 7.0109 7.0794 7.0794 7.7152 7.7152 7.7646 7.7646 7.9690 7.9690 8.0232 8.0232 8.0870 8.0870 8.1752 8.1752 8.5386 8.5386 8.6381 8.6381 8.9934 8.9934 9.1163 9.1163 9.1888 9.1888 9.2912 9.2912 9.6033 9.6033 9.7044 9.7044 9.9233 9.9233 10.0117 10.0117 10.8711 10.8711 10.9370 10.9370 11.4341 11.4341 11.4936 11.4936 14.1451 14.1451 14.1777 14.1777 14.8403 14.8403 14.9183 14.9183 16.4782 16.4782 k = 0.0978 0.5000 0.0978 ( 2922 PWs) bands (ev): 3.9137 3.9137 3.9144 3.9144 6.2079 6.2079 6.2310 6.2310 7.0212 7.0212 7.0897 7.0897 7.7281 7.7281 7.7789 7.7789 7.9682 7.9682 8.0188 8.0188 8.0879 8.0879 8.1721 8.1721 8.5314 8.5314 8.6336 8.6336 8.9967 8.9967 9.1216 9.1216 9.1860 9.1860 9.2824 9.2824 9.6240 9.6240 9.7272 9.7272 9.9342 9.9342 10.0222 10.0222 10.8777 10.8777 10.9375 10.9375 11.4792 11.4792 11.5414 11.5414 14.0854 14.0854 14.1172 14.1172 14.7784 14.7784 14.8539 14.8539 16.6132 16.6132 k = 0.0870 0.5000 0.0870 ( 2930 PWs) bands (ev): 3.8907 3.8907 3.8913 3.8913 6.2146 6.2146 6.2381 6.2381 7.0302 7.0302 7.0988 7.0988 7.7406 7.7406 7.7932 7.7932 7.9667 7.9667 8.0143 8.0143 8.0885 8.0885 8.1688 8.1688 8.5247 8.5247 8.6295 8.6295 8.9991 8.9991 9.1250 9.1250 9.1850 9.1850 9.2737 9.2737 9.6443 9.6443 9.7502 9.7502 9.9447 9.9447 10.0312 10.0312 10.8791 10.8791 10.9338 10.9338 11.5256 11.5256 11.5918 11.5918 14.0221 14.0221 14.0527 14.0527 14.7211 14.7211 14.7945 14.7945 16.7592 16.7592 k = 0.0761 0.5000 0.0761 ( 2930 PWs) bands (ev): 3.8704 3.8704 3.8710 3.8710 6.2205 6.2205 6.2445 6.2445 7.0381 7.0381 7.1066 7.1066 7.7527 7.7527 7.8073 7.8073 7.9646 7.9646 8.0098 8.0098 8.0890 8.0890 8.1657 8.1657 8.5188 8.5188 8.6259 8.6259 9.0008 9.0008 9.1269 9.1269 9.1857 9.1857 9.2652 9.2652 9.6636 9.6636 9.7729 9.7729 9.9550 9.9550 10.0387 10.0387 10.8770 10.8770 10.9272 10.9272 11.5722 11.5722 11.6428 11.6428 13.9586 13.9586 13.9877 13.9877 14.6690 14.6690 14.7408 14.7408 16.9115 16.9115 k = 0.0652 0.5000 0.0652 ( 2930 PWs) bands (ev): 3.8528 3.8528 3.8533 3.8533 6.2258 6.2258 6.2500 6.2500 7.0447 7.0447 7.1133 7.1133 7.7641 7.7641 7.8208 7.8208 7.9623 7.9623 8.0052 8.0052 8.0892 8.0892 8.1629 8.1629 8.5136 8.5136 8.6229 8.6229 9.0017 9.0017 9.1277 9.1277 9.1878 9.1878 9.2571 9.2571 9.6815 9.6815 9.7943 9.7943 9.9653 9.9653 10.0446 10.0446 10.8727 10.8727 10.9183 10.9183 11.6173 11.6173 11.6923 11.6923 13.8978 13.8978 13.9248 13.9248 14.6226 14.6226 14.6933 14.6933 17.0656 17.0656 k = 0.0543 0.5000 0.0543 ( 2928 PWs) bands (ev): 3.8378 3.8378 3.8382 3.8382 6.2302 6.2302 6.2548 6.2548 7.0502 7.0502 7.1187 7.1187 7.7745 7.7745 7.8333 7.8333 7.9601 7.9601 8.0005 8.0005 8.0892 8.0892 8.1606 8.1606 8.5090 8.5090 8.6202 8.6202 9.0021 9.0021 9.1278 9.1278 9.1909 9.1909 9.2495 9.2495 9.6975 9.6975 9.8139 9.8139 9.9757 9.9757 10.0487 10.0487 10.8675 10.8675 10.9082 10.9082 11.6593 11.6593 11.7385 11.7385 13.8421 13.8421 13.8664 13.8664 14.5825 14.5825 14.6524 14.6524 17.2164 17.2164 k = 0.0435 0.5000 0.0435 ( 2920 PWs) bands (ev): 3.8256 3.8256 3.8259 3.8259 6.2339 6.2339 6.2588 6.2588 7.0546 7.0546 7.1231 7.1231 7.7838 7.7838 7.8443 7.8443 7.9586 7.9586 7.9955 7.9955 8.0893 8.0893 8.1587 8.1587 8.5053 8.5053 8.6181 8.6181 9.0022 9.0022 9.1278 9.1278 9.1945 9.1945 9.2425 9.2425 9.7112 9.7112 9.8307 9.8307 9.9861 9.9861 10.0511 10.0511 10.8625 10.8625 10.8977 10.8977 11.6967 11.6967 11.7794 11.7794 13.7934 13.7934 13.8147 13.8147 14.5492 14.5492 14.6185 14.6185 17.3570 17.3570 k = 0.0326 0.5000 0.0326 ( 2924 PWs) bands (ev): 3.8161 3.8161 3.8163 3.8163 6.2368 6.2368 6.2619 6.2619 7.0580 7.0580 7.1264 7.1264 7.7915 7.7915 7.8531 7.8531 7.9582 7.9582 7.9901 7.9901 8.0893 8.0893 8.1572 8.1572 8.5024 8.5024 8.6163 8.6163 9.0019 9.0019 9.1275 9.1275 9.1983 9.1983 9.2361 9.2361 9.7222 9.7222 9.8442 9.8442 9.9964 9.9964 10.0516 10.0516 10.8585 10.8585 10.8876 10.8876 11.7279 11.7279 11.8135 11.8135 13.7538 13.7538 13.7716 13.7716 14.5228 14.5228 14.5918 14.5918 17.4777 17.4777 k = 0.0217 0.5000 0.0217 ( 2918 PWs) bands (ev): 3.8093 3.8093 3.8094 3.8094 6.2389 6.2389 6.2642 6.2642 7.0604 7.0604 7.1288 7.1288 7.7974 7.7974 7.8596 7.8596 7.9591 7.9591 7.9847 7.9847 8.0894 8.0894 8.1562 8.1562 8.5002 8.5002 8.6151 8.6151 9.0017 9.0017 9.1274 9.1274 9.2021 9.2021 9.2305 9.2305 9.7302 9.7302 9.8540 9.8540 10.0058 10.0058 10.0504 10.0504 10.8561 10.8561 10.8789 10.8789 11.7513 11.7513 11.8392 11.8392 13.7246 13.7246 13.7389 13.7389 14.5038 14.5038 14.5727 14.5727 17.5680 17.5680 k = 0.0109 0.5000 0.0109 ( 2910 PWs) bands (ev): 3.8052 3.8052 3.8053 3.8053 6.2402 6.2402 6.2656 6.2656 7.0618 7.0618 7.1302 7.1302 7.8011 7.8011 7.8635 7.8635 7.9611 7.9611 7.9800 7.9800 8.0895 8.0895 8.1556 8.1556 8.4990 8.4990 8.6143 8.6143 9.0015 9.0015 9.1273 9.1273 9.2054 9.2054 9.2263 9.2263 9.7351 9.7351 9.8599 9.8599 10.0130 10.0130 10.0485 10.0485 10.8552 10.8552 10.8726 10.8726 11.7660 11.7660 11.8552 11.8552 13.7069 13.7069 13.7183 13.7183 14.4924 14.4924 14.5611 14.5611 17.6215 17.6215 k = 0.0000 0.5000-0.0000 ( 2906 PWs) bands (ev): 3.8038 3.8038 3.8039 3.8039 6.2406 6.2406 6.2661 6.2661 7.0622 7.0622 7.1306 7.1306 7.8024 7.8024 7.8648 7.8648 7.9622 7.9622 7.9779 7.9779 8.0896 8.0896 8.1554 8.1554 8.4986 8.4986 8.6141 8.6141 9.0015 9.0015 9.1273 9.1273 9.2068 9.2068 9.2245 9.2245 9.7368 9.7368 9.8619 9.8619 10.0159 10.0159 10.0475 10.0475 10.8551 10.8551 10.8702 10.8702 11.7709 11.7709 11.8606 11.8606 13.7011 13.7011 13.7113 13.7113 14.4886 14.4886 14.5572 14.5572 17.6388 17.6388 k = 0.5000 0.5000-0.0000 ( 2968 PWs) bands (ev): 4.9782 4.9782 4.9782 4.9782 5.1981 5.1981 5.1981 5.1981 7.2832 7.2832 7.2832 7.2832 7.3778 7.3778 7.3778 7.3778 7.8945 7.8945 7.8945 7.8945 8.3094 8.3094 8.3094 8.3094 8.7323 8.7323 8.7323 8.7323 8.8775 8.8775 8.8775 8.8775 9.1921 9.1921 9.1921 9.1921 9.3549 9.3549 9.3549 9.3549 9.8908 9.8908 9.8908 9.8908 10.0914 10.0914 10.0914 10.0914 12.7925 12.7925 12.7925 12.7925 13.3270 13.3270 13.3270 13.3270 15.3555 15.3555 15.3555 15.3555 15.6813 15.6813 k = 0.5000 0.5000 0.0152 ( 2968 PWs) bands (ev): 4.9789 4.9789 4.9792 4.9792 5.1992 5.1992 5.1995 5.1995 7.2825 7.2825 7.2833 7.2833 7.3770 7.3770 7.3777 7.3777 7.8934 7.8934 7.8946 7.8946 8.3030 8.3030 8.3133 8.3133 8.7284 8.7284 8.7364 8.7364 8.8780 8.8780 8.8786 8.8786 9.1908 9.1908 9.1944 9.1944 9.3540 9.3540 9.3570 9.3570 9.8889 9.8889 9.8911 9.8911 10.0902 10.0902 10.0912 10.0912 12.7832 12.7832 12.7836 12.7836 13.3200 13.3200 13.3207 13.3207 15.3636 15.3636 15.3659 15.3659 15.6933 15.6933 k = 0.5000 0.5000 0.0303 ( 2968 PWs) bands (ev): 4.9813 4.9813 4.9818 4.9818 5.2027 5.2027 5.2034 5.2034 7.2810 7.2810 7.2827 7.2827 7.3755 7.3755 7.3768 7.3768 7.8914 7.8914 7.8937 7.8937 8.2942 8.2942 8.3145 8.3145 8.7247 8.7247 8.7402 8.7402 8.8799 8.8799 8.8811 8.8811 9.1905 9.1905 9.1977 9.1977 9.3540 9.3540 9.3603 9.3603 9.8853 9.8853 9.8898 9.8898 10.0877 10.0877 10.0898 10.0898 12.7563 12.7563 12.7571 12.7571 13.3001 13.3001 13.3015 13.3015 15.3899 15.3899 15.3942 15.3942 15.7296 15.7296 k = 0.5000 0.5000 0.0455 ( 2952 PWs) bands (ev): 4.9854 4.9854 4.9862 4.9862 5.2088 5.2088 5.2098 5.2098 7.2785 7.2785 7.2811 7.2811 7.3734 7.3734 7.3756 7.3756 7.8886 7.8886 7.8919 7.8919 8.2835 8.2835 8.3129 8.3129 8.7217 8.7217 8.7437 8.7437 8.8832 8.8832 8.8848 8.8848 9.1915 9.1915 9.2020 9.2020 9.3549 9.3549 9.3650 9.3650 9.8802 9.8802 9.8869 9.8869 10.0841 10.0841 10.0872 10.0872 12.7133 12.7133 12.7143 12.7143 13.2685 13.2685 13.2703 13.2703 15.4333 15.4333 15.4395 15.4395 15.7889 15.7889 k = 0.5000 0.5000 0.0606 ( 2960 PWs) bands (ev): 4.9911 4.9911 4.9922 4.9922 5.2172 5.2172 5.2186 5.2186 7.2745 7.2745 7.2780 7.2780 7.3712 7.3712 7.3742 7.3742 7.8849 7.8849 7.8891 7.8891 8.2710 8.2710 8.3085 8.3085 8.7190 8.7190 8.7464 8.7464 8.8873 8.8873 8.8890 8.8890 9.1935 9.1935 9.2072 9.2072 9.3567 9.3567 9.3713 9.3713 9.8734 9.8734 9.8825 9.8825 10.0791 10.0791 10.0833 10.0833 12.6565 12.6565 12.6576 12.6576 13.2264 13.2264 13.2286 13.2286 15.4922 15.4922 15.5001 15.5001 15.8687 15.8687 k = 0.5000 0.5000 0.0758 ( 2944 PWs) bands (ev): 4.9985 4.9985 4.9998 4.9998 5.2281 5.2281 5.2299 5.2299 7.2688 7.2688 7.2732 7.2732 7.3694 7.3694 7.3733 7.3733 7.8805 7.8805 7.8855 7.8855 8.2572 8.2572 8.3016 8.3016 8.7169 8.7169 8.7482 8.7482 8.8919 8.8919 8.8933 8.8933 9.1970 9.1970 9.2137 9.2137 9.3595 9.3595 9.3794 9.3794 9.8653 9.8653 9.8767 9.8767 10.0731 10.0731 10.0783 10.0783 12.5885 12.5885 12.5896 12.5896 13.1757 13.1757 13.1779 13.1779 15.5650 15.5650 15.5743 15.5743 15.9668 15.9668 k = 0.5000 0.5000 0.0909 ( 2944 PWs) bands (ev): 5.0075 5.0075 5.0091 5.0091 5.2413 5.2413 5.2434 5.2434 7.2609 7.2609 7.2660 7.2660 7.3686 7.3686 7.3733 7.3733 7.8755 7.8755 7.8811 7.8811 8.2422 8.2422 8.2923 8.2923 8.7150 8.7150 8.7489 8.7489 8.8963 8.8963 8.8968 8.8968 9.2018 9.2018 9.2215 9.2215 9.3631 9.3631 9.3893 9.3893 9.8557 9.8557 9.8694 9.8694 10.0658 10.0658 10.0722 10.0722 12.5119 12.5119 12.5127 12.5127 13.1178 13.1178 13.1200 13.1200 15.6498 15.6498 15.6602 15.6602 16.0804 16.0804 k = 0.5000 0.5000 0.1061 ( 2944 PWs) bands (ev): 5.0181 5.0181 5.0199 5.0199 5.2567 5.2567 5.2593 5.2593 7.2507 7.2507 7.2562 7.2562 7.3691 7.3691 7.3745 7.3745 7.8699 7.8699 7.8760 7.8760 8.2264 8.2264 8.2810 8.2810 8.7130 8.7130 8.7483 8.7483 8.8989 8.8989 8.8999 8.8999 9.2082 9.2082 9.2309 9.2309 9.3679 9.3679 9.4009 9.4009 9.8450 9.8450 9.8610 9.8610 10.0575 10.0575 10.0649 10.0649 12.4292 12.4292 12.4296 12.4296 13.0544 13.0544 13.0563 13.0563 15.7450 15.7450 15.7562 15.7562 16.2071 16.2071 k = 0.5000 0.5000 0.1212 ( 2944 PWs) bands (ev): 5.0303 5.0303 5.0324 5.0324 5.2744 5.2744 5.2773 5.2773 7.2381 7.2381 7.2437 7.2437 7.3712 7.3712 7.3771 7.3771 7.8639 7.8639 7.8703 7.8703 8.2100 8.2100 8.2681 8.2681 8.7106 8.7106 8.7462 8.7462 8.8989 8.8989 8.9021 8.9021 9.2162 9.2162 9.2421 9.2421 9.3738 9.3738 9.4141 9.4141 9.8333 9.8333 9.8516 9.8516 10.0482 10.0482 10.0566 10.0566 12.3424 12.3424 12.3425 12.3425 12.9868 12.9868 12.9882 12.9882 15.8491 15.8491 15.8609 15.8609 16.3446 16.3446 k = 0.5000 0.5000 0.1364 ( 2944 PWs) bands (ev): 5.0440 5.0440 5.0464 5.0464 5.2941 5.2941 5.2975 5.2975 7.2232 7.2232 7.2288 7.2288 7.3747 7.3747 7.3811 7.3811 7.8577 7.8577 7.8642 7.8642 8.1933 8.1933 8.2537 8.2537 8.7075 8.7075 8.7423 8.7423 8.8965 8.8965 8.9022 8.9022 9.2259 9.2259 9.2553 9.2553 9.3811 9.3811 9.4288 9.4288 9.8211 9.8211 9.8415 9.8415 10.0379 10.0379 10.0474 10.0474 12.2530 12.2530 12.2539 12.2539 12.9161 12.9161 12.9168 12.9168 15.9607 15.9607 15.9730 15.9730 16.4910 16.4910 k = 0.5000 0.5000 0.1515 ( 2948 PWs) bands (ev): 5.0593 5.0593 5.0620 5.0620 5.3158 5.3158 5.3195 5.3195 7.2064 7.2064 7.2118 7.2118 7.3794 7.3794 7.3862 7.3862 7.8512 7.8512 7.8577 7.8577 8.1763 8.1763 8.2383 8.2383 8.7031 8.7031 8.7365 8.7365 8.8911 8.8911 8.8998 8.8998 9.2373 9.2373 9.2704 9.2704 9.3897 9.3897 9.4446 9.4446 9.8086 9.8086 9.8308 9.8308 10.0268 10.0268 10.0373 10.0373 12.1631 12.1631 12.1650 12.1650 12.8432 12.8432 12.8433 12.8433 16.0787 16.0787 16.0914 16.0914 16.6443 16.6443 k = 0.5000 0.5000 0.1667 ( 2936 PWs) bands (ev): 5.0761 5.0761 5.0790 5.0790 5.3393 5.3393 5.3435 5.3435 7.1880 7.1880 7.1931 7.1931 7.3853 7.3853 7.3925 7.3925 7.8447 7.8447 7.8510 7.8510 8.1593 8.1593 8.2222 8.2222 8.6974 8.6974 8.7287 8.7287 8.8826 8.8826 8.8945 8.8945 9.2503 9.2503 9.2875 9.2875 9.3999 9.3999 9.4613 9.4613 9.7966 9.7966 9.8199 9.8199 10.0152 10.0152 10.0265 10.0265 12.0741 12.0741 12.0772 12.0772 12.7681 12.7681 12.7691 12.7691 16.2023 16.2023 16.2152 16.2152 16.8030 16.8030 k = 0.5000 0.5000 0.1818 ( 2952 PWs) bands (ev): 5.0943 5.0943 5.0975 5.0975 5.3644 5.3644 5.3690 5.3690 7.1682 7.1682 7.1729 7.1729 7.3919 7.3919 7.3995 7.3995 7.8382 7.8382 7.8441 7.8441 8.1421 8.1421 8.2054 8.2054 8.6897 8.6897 8.7185 8.7185 8.8708 8.8708 8.8858 8.8858 9.2644 9.2644 9.3061 9.3061 9.4116 9.4116 9.4780 9.4780 9.7854 9.7854 9.8092 9.8092 10.0027 10.0027 10.0148 10.0148 11.9872 11.9872 11.9916 11.9916 12.6921 12.6921 12.6941 12.6941 16.3306 16.3306 16.3436 16.3436 16.9657 16.9657 k = 0.5000 0.5000 0.1970 ( 2952 PWs) bands (ev): 5.1139 5.1139 5.1173 5.1173 5.3910 5.3910 5.3960 5.3960 7.1477 7.1477 7.1519 7.1519 7.3992 7.3992 7.4072 7.4072 7.8319 7.8319 7.8373 7.8373 8.1251 8.1251 8.1883 8.1883 8.6800 8.6800 8.7059 8.7059 8.8559 8.8559 8.8736 8.8736 9.2797 9.2797 9.3262 9.3262 9.4250 9.4250 9.4945 9.4945 9.7761 9.7761 9.7990 9.7990 9.9898 9.9898 10.0027 10.0027 11.9032 11.9032 11.9092 11.9092 12.6157 12.6157 12.6190 12.6190 16.4629 16.4629 16.4759 16.4759 17.1310 17.1310 k = 0.5000 0.5000 0.2121 ( 2948 PWs) bands (ev): 5.1348 5.1348 5.1385 5.1385 5.4187 5.4187 5.4242 5.4242 7.1266 7.1266 7.1303 7.1303 7.4069 7.4069 7.4153 7.4153 7.8258 7.8258 7.8306 7.8306 8.1083 8.1083 8.1710 8.1710 8.6680 8.6680 8.6909 8.6909 8.8379 8.8379 8.8578 8.8578 9.2956 9.2956 9.3472 9.3472 9.4400 9.4400 9.5101 9.5101 9.7695 9.7695 9.7897 9.7897 9.9766 9.9766 9.9900 9.9900 11.8230 11.8230 11.8308 11.8308 12.5394 12.5394 12.5440 12.5440 16.5986 16.5986 16.6115 16.6115 17.2975 17.2975 k = 0.5000 0.5000 0.2273 ( 2956 PWs) bands (ev): 5.1570 5.1570 5.1610 5.1610 5.4474 5.4474 5.4534 5.4534 7.1054 7.1054 7.1085 7.1085 7.4148 7.4148 7.4236 7.4236 7.8201 7.8201 7.8241 7.8241 8.0917 8.0917 8.1536 8.1536 8.6537 8.6537 8.6732 8.6732 8.8166 8.8166 8.8382 8.8382 9.3120 9.3120 9.3686 9.3686 9.4566 9.4566 9.5241 9.5241 9.7663 9.7663 9.7815 9.7815 9.9631 9.9631 9.9768 9.9768 11.7472 11.7472 11.7571 11.7571 12.4634 12.4634 12.4695 12.4695 16.7371 16.7371 16.7499 16.7499 17.4640 17.4640 k = 0.5000 0.5000 0.2424 ( 2956 PWs) bands (ev): 5.1805 5.1805 5.1847 5.1847 5.4767 5.4767 5.4832 5.4832 7.0846 7.0846 7.0871 7.0871 7.4226 7.4226 7.4319 7.4319 7.8149 7.8149 7.8180 7.8180 8.0755 8.0755 8.1363 8.1363 8.6369 8.6369 8.6529 8.6529 8.7925 8.7925 8.8151 8.8151 9.3285 9.3285 9.3901 9.3901 9.4746 9.4746 9.5366 9.5366 9.7672 9.7672 9.7747 9.7747 9.9497 9.9497 9.9634 9.9634 11.6763 11.6763 11.6885 11.6885 12.3881 12.3881 12.3958 12.3958 16.8779 16.8779 16.8906 16.8906 17.6293 17.6293 k = 0.5000 0.5000 0.2576 ( 2956 PWs) bands (ev): 5.2050 5.2050 5.2095 5.2095 5.5062 5.5062 5.5132 5.5132 7.0645 7.0645 7.0665 7.0665 7.4300 7.4300 7.4398 7.4398 7.8101 7.8101 7.8124 7.8124 8.0595 8.0595 8.1192 8.1192 8.6178 8.6178 8.6302 8.6302 8.7657 8.7657 8.7886 8.7886 9.3451 9.3451 9.4108 9.4108 9.4941 9.4941 9.5476 9.5476 9.7694 9.7694 9.7722 9.7722 9.9366 9.9366 9.9497 9.9497 11.6107 11.6107 11.6255 11.6255 12.3138 12.3138 12.3231 12.3231 17.0205 17.0205 17.0330 17.0330 17.7920 17.7920 k = 0.5000 0.5000 0.2727 ( 2956 PWs) bands (ev): 5.2306 5.2306 5.2354 5.2354 5.5355 5.5355 5.5430 5.5430 7.0457 7.0457 7.0471 7.0471 7.4367 7.4367 7.4470 7.4470 7.8061 7.8061 7.8076 7.8076 8.0439 8.0439 8.1023 8.1023 8.5964 8.5964 8.6051 8.6051 8.7365 8.7365 8.7591 8.7591 9.3616 9.3616 9.4303 9.4303 9.5146 9.5146 9.5577 9.5577 9.7656 9.7656 9.7807 9.7807 9.9241 9.9241 9.9361 9.9361 11.5507 11.5507 11.5683 11.5683 12.2405 12.2405 12.2515 12.2515 17.1645 17.1645 17.1768 17.1768 17.9507 17.9507 k = 0.5000 0.5000 0.2879 ( 2964 PWs) bands (ev): 5.2572 5.2572 5.2623 5.2623 5.5642 5.5642 5.5722 5.5722 7.0287 7.0287 7.0294 7.0294 7.4423 7.4423 7.4529 7.4529 7.8028 7.8028 7.8036 7.8036 8.0287 8.0287 8.0857 8.0857 8.5729 8.5729 8.5776 8.5776 8.7053 8.7053 8.7271 8.7271 9.3779 9.3779 9.4479 9.4479 9.5359 9.5359 9.5680 9.5680 9.7630 9.7630 9.7916 9.7916 9.9129 9.9129 9.9226 9.9226 11.4965 11.4965 11.5171 11.5171 12.1684 12.1684 12.1813 12.1813 17.3092 17.3092 17.3214 17.3214 18.1042 18.1042 k = 0.5000 0.5000 0.3030 ( 2964 PWs) bands (ev): 5.2846 5.2846 5.2900 5.2900 5.5918 5.5918 5.6003 5.6003 7.0140 7.0140 7.0142 7.0142 7.4465 7.4465 7.4572 7.4572 7.8004 7.8004 7.8007 7.8007 8.0141 8.0141 8.0695 8.0695 8.5475 8.5475 8.5482 8.5482 8.6729 8.6729 8.6933 8.6933 9.3943 9.3943 9.4632 9.4632 9.5578 9.5578 9.5791 9.5791 9.7614 9.7614 9.8029 9.8029 9.9041 9.9041 9.9094 9.9094 11.4482 11.4482 11.4721 11.4721 12.0978 12.0978 12.1126 12.1126 17.4544 17.4544 17.4665 17.4665 18.2510 18.2510 k = 0.5000 0.5000 0.3182 ( 2960 PWs) bands (ev): 5.3128 5.3128 5.3184 5.3184 5.6176 5.6176 5.6266 5.6266 7.0019 7.0019 7.0022 7.0022 7.4486 7.4486 7.4592 7.4592 7.7989 7.7989 7.7991 7.7991 7.9999 7.9999 8.0536 8.0536 8.5173 8.5173 8.5206 8.5206 8.6397 8.6397 8.6583 8.6583 9.4107 9.4107 9.4763 9.4763 9.5798 9.5798 9.5915 9.5915 9.7603 9.7603 9.8122 9.8122 9.8970 9.8970 9.8997 9.8997 11.4061 11.4061 11.4334 11.4334 12.0288 12.0288 12.0455 12.0455 17.5994 17.5994 17.6115 17.6115 18.3899 18.3899 k = 0.5000 0.5000 0.3333 ( 2960 PWs) bands (ev): 5.3416 5.3416 5.3475 5.3475 5.6411 5.6411 5.6506 5.6506 6.9931 6.9931 6.9938 6.9938 7.4482 7.4482 7.4584 7.4584 7.7985 7.7985 7.7990 7.7990 7.9863 7.9863 8.0382 8.0382 8.4853 8.4853 8.4927 8.4927 8.6063 8.6063 8.6229 8.6229 9.4271 9.4271 9.4875 9.4875 9.6016 9.6016 9.6047 9.6047 9.7591 9.7591 9.8168 9.8168 9.8854 9.8854 9.9015 9.9015 11.3701 11.3701 11.4008 11.4008 11.9615 11.9615 11.9803 11.9803 17.7439 17.7439 17.7561 17.7561 18.5197 18.5197 k = 0.5000 0.5000 0.3485 ( 2952 PWs) bands (ev): 5.3709 5.3709 5.3771 5.3771 5.6618 5.6618 5.6717 5.6717 6.9883 6.9883 6.9895 6.9895 7.4446 7.4446 7.4543 7.4543 7.7992 7.7992 7.8006 7.8006 7.9733 7.9733 8.0232 8.0232 8.4533 8.4533 8.4643 8.4643 8.5732 8.5732 8.5879 8.5879 9.4437 9.4437 9.4975 9.4975 9.6179 9.6179 9.6228 9.6228 9.7574 9.7574 9.8162 9.8162 9.8753 9.8753 9.9099 9.9099 11.3403 11.3403 11.3745 11.3745 11.8962 11.8962 11.9170 11.9170 17.8874 17.8874 17.8998 17.8998 18.6393 18.6393 k = 0.5000 0.5000 0.3636 ( 2960 PWs) bands (ev): 5.4006 5.4006 5.4070 5.4070 5.6791 5.6791 5.6893 5.6893 6.9881 6.9881 6.9896 6.9896 7.4374 7.4374 7.4461 7.4461 7.8008 7.8008 7.8039 7.8039 7.9608 7.9608 8.0085 8.0085 8.4220 8.4220 8.4363 8.4363 8.5408 8.5408 8.5536 8.5536 9.4603 9.4603 9.5069 9.5069 9.6300 9.6300 9.6428 9.6428 9.7546 9.7546 9.8124 9.8124 9.8666 9.8666 9.9224 9.9224 11.3167 11.3167 11.3544 11.3544 11.8330 11.8330 11.8557 11.8557 18.0293 18.0293 18.0422 18.0422 18.7479 18.7479 k = 0.5000 0.5000 0.3788 ( 2964 PWs) bands (ev): 5.4303 5.4303 5.4370 5.4370 5.6924 5.6924 5.7029 5.7029 6.9929 6.9929 6.9945 6.9945 7.4261 7.4261 7.4336 7.4336 7.8035 7.8035 7.8090 7.8090 7.9490 7.9490 7.9942 7.9942 8.3926 8.3926 8.4097 8.4097 8.5095 8.5095 8.5207 8.5207 9.4772 9.4772 9.5163 9.5163 9.6400 9.6400 9.6606 9.6606 9.7513 9.7513 9.8079 9.8079 9.8597 9.8597 9.9367 9.9367 11.2993 11.2993 11.3403 11.3403 11.7720 11.7720 11.7968 11.7968 18.1691 18.1691 18.1828 18.1828 18.8452 18.8452 k = 0.5000 0.5000 0.3939 ( 2960 PWs) bands (ev): 5.4601 5.4601 5.4671 5.4671 5.7015 5.7015 5.7122 5.7122 7.0028 7.0028 7.0046 7.0046 7.4104 7.4104 7.4166 7.4166 7.8071 7.8071 7.8157 7.8157 7.9379 7.9379 7.9802 7.9802 8.3664 8.3664 8.3856 8.3856 8.4794 8.4794 8.4895 8.4895 9.4942 9.4942 9.5259 9.5259 9.6468 9.6468 9.6745 9.6745 9.7488 9.7488 9.8045 9.8045 9.8541 9.8541 9.9512 9.9512 11.2882 11.2882 11.3323 11.3323 11.7137 11.7137 11.7403 11.7403 18.3062 18.3062 18.3212 18.3212 18.9309 18.9309 k = 0.5000 0.5000 0.4091 ( 2952 PWs) bands (ev): 5.4896 5.4896 5.4968 5.4968 5.7061 5.7061 5.7170 5.7170 7.0181 7.0181 7.0198 7.0198 7.3902 7.3902 7.3950 7.3950 7.8114 7.8114 7.8239 7.8239 7.9275 7.9275 7.9666 7.9666 8.3442 8.3442 8.3648 8.3648 8.4508 8.4508 8.4601 8.4601 9.5114 9.5114 9.5359 9.5359 9.6498 9.6498 9.6818 9.6818 9.7499 9.7499 9.8029 9.8029 9.8496 9.8496 9.9648 9.9648 11.2831 11.2831 11.3302 11.3302 11.6581 11.6581 11.6864 11.6864 18.4402 18.4402 18.4570 18.4570 19.0051 19.0051 k = 0.5000 0.5000 0.4242 ( 2960 PWs) bands (ev): 5.5186 5.5186 5.5261 5.5261 5.7061 5.7061 5.7171 5.7171 7.0383 7.0383 7.0400 7.0400 7.3656 7.3656 7.3691 7.3691 7.8161 7.8161 7.8332 7.8332 7.9179 7.9179 7.9532 7.9532 8.3268 8.3268 8.3481 8.3481 8.4240 8.4240 8.4328 8.4328 9.5287 9.5287 9.5463 9.5463 9.6489 9.6489 9.6806 9.6806 9.7564 9.7564 9.8033 9.8033 9.8453 9.8453 9.9769 9.9769 11.2839 11.2839 11.3337 11.3337 11.6056 11.6056 11.6353 11.6353 18.5702 18.5702 18.5896 18.5896 19.0675 19.0675 k = 0.5000 0.5000 0.4394 ( 2960 PWs) bands (ev): 5.5468 5.5468 5.5545 5.5545 5.7017 5.7017 5.7127 5.7127 7.0633 7.0633 7.0649 7.0649 7.3369 7.3369 7.3394 7.3394 7.8211 7.8211 7.8434 7.8434 7.9091 7.9091 7.9401 7.9401 8.3146 8.3146 8.3362 8.3362 8.3993 8.3993 8.4079 8.4079 9.5461 9.5461 9.5571 9.5571 9.6445 9.6445 9.6727 9.6727 9.7670 9.7670 9.8052 9.8052 9.8408 9.8408 9.9872 9.9872 11.2903 11.2903 11.3428 11.3428 11.5568 11.5568 11.5873 11.5873 18.6952 18.6952 18.7185 18.7185 19.1179 19.1179 k = 0.5000 0.5000 0.4545 ( 2976 PWs) bands (ev): 5.5739 5.5739 5.5818 5.5818 5.6931 5.6931 5.7041 5.7041 7.0924 7.0924 7.0938 7.0938 7.3047 7.3047 7.3065 7.3065 7.8258 7.8258 7.8543 7.8543 7.9014 7.9014 7.9271 7.9271 8.3076 8.3076 8.3293 8.3293 8.3771 8.3771 8.3856 8.3856 9.5634 9.5634 9.5681 9.5681 9.6375 9.6375 9.6608 9.6608 9.7791 9.7791 9.8078 9.8078 9.8355 9.8355 9.9953 9.9953 11.3017 11.3017 11.3572 11.3572 11.5122 11.5122 11.5425 11.5425 18.8135 18.8135 18.8427 18.8427 19.1547 19.1547 k = 0.5000 0.5000 0.4697 ( 2976 PWs) bands (ev): 5.5997 5.5997 5.6075 5.6075 5.6805 5.6805 5.6917 5.6917 7.1250 7.1250 7.1261 7.1261 7.2699 7.2699 7.2712 7.2712 7.8299 7.8299 7.8657 7.8657 7.8952 7.8952 7.9144 7.9144 8.3056 8.3056 8.3275 8.3275 8.3583 8.3583 8.3663 8.3663 9.5792 9.5792 9.5808 9.5808 9.6288 9.6288 9.6466 9.6466 9.7913 9.7913 9.8104 9.8104 9.8292 9.8292 10.0012 10.0012 11.3169 11.3169 11.3768 11.3768 11.4733 11.4733 11.5012 11.5012 18.9219 18.9219 18.9607 18.9607 19.1745 19.1745 k = 0.5000 0.5000 0.4848 ( 3016 PWs) bands (ev): 5.6236 5.6236 5.6307 5.6307 5.6644 5.6644 5.6763 5.6763 7.1599 7.1599 7.1609 7.1609 7.2335 7.2335 7.2345 7.2345 7.8327 7.8327 7.8774 7.8774 7.8909 7.8909 7.9017 7.9017 8.3070 8.3070 8.3305 8.3305 8.3441 8.3441 8.3504 8.3504 9.5892 9.5892 9.5978 9.5978 9.6197 9.6197 9.6310 9.6310 9.8024 9.8024 9.8120 9.8120 9.8215 9.8215 10.0046 10.0046 11.3327 11.3327 11.4012 11.4012 11.4430 11.4430 11.4636 11.4636 19.0122 19.0122 19.0692 19.0692 19.1723 19.1723 k = 0.5000 0.5000 0.5000 ( 3016 PWs) bands (ev): 5.6453 5.6453 5.6453 5.6453 5.6453 5.6453 5.6644 5.6644 7.1955 7.1955 7.1974 7.1974 7.1974 7.1974 7.1974 7.1974 7.8337 7.8337 7.8894 7.8894 7.8894 7.8894 7.8894 7.8894 8.3086 8.3086 8.3383 8.3383 8.3383 8.3383 8.3383 8.3383 9.5946 9.5946 9.6146 9.6146 9.6146 9.6146 9.6146 9.6146 9.8126 9.8126 9.8126 9.8126 9.8126 9.8126 10.0058 10.0058 11.3407 11.3407 11.4303 11.4303 11.4303 11.4303 11.4303 11.4303 19.0562 19.0562 19.1604 19.1604 19.1604 19.1604 Writing output data file AlPd.save init_run : 3.72s CPU 13.87s WALL ( 1 calls) electrons : 646.50s CPU 652.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 646.46s CPU 652.12s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.59s WALL ( 1 calls) newd : 0.59s CPU 0.80s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 253 calls) cegterg : 611.50s CPU 615.36s WALL ( 645 calls) Called by sum_band: Called by *egterg: h_psi : 204.92s CPU 211.57s WALL ( 10968 calls) s_psi : 34.03s CPU 34.54s WALL ( 10968 calls) g_psi : 0.40s CPU 0.43s WALL ( 10070 calls) cdiaghg : 298.11s CPU 295.81s WALL ( 10323 calls) cegterg:over : 50.00s CPU 47.95s WALL ( 10070 calls) cegterg:upda : 8.16s CPU 10.62s WALL ( 10070 calls) cegterg:last : 7.15s CPU 7.67s WALL ( 1522 calls) Called by h_psi: h_psi:vloc : 137.21s CPU 142.55s WALL ( 10968 calls) h_psi:vnl : 67.55s CPU 68.50s WALL ( 10968 calls) add_vuspsi : 23.80s CPU 26.80s WALL ( 10968 calls) General routines calbec : 43.71s CPU 41.59s WALL ( 10968 calls) fft : 0.41s CPU 1.29s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 126.61s CPU 129.22s WALL ( 1146160 calls) interpolate : 0.01s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 0.96s WALL ( 506 calls) Parallel routines fft_scatter : 90.08s CPU 92.32s WALL ( 1146183 calls) PWSCF : 11m29.30s CPU 12m30.03s WALL This run was terminated on: 1:38:42 29Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=