Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:40: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu2Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 23 6 1162 763 120 Max 31 24 7 1169 776 131 Sum 1101 845 241 41917 27725 4555 bravais-lattice index = 14 lattice parameter (alat) = 7.5600 a.u. unit-cell volume = 659.2993 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.560038 celldm(2)= 1.000000 celldm(3)= 1.525846 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 1.525846 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.655374 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 16 Sym. Ops., with inversion, found (12 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 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -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 = 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 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 = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027855 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027855 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027855 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027855 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027855 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027855 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027855 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0027855 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027855 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0027855 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027855 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027855 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027855 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027855 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0027855 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0027855 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0027855 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0027855 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0027855 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027855 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0027855 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0027855 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0027855 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0027855 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0027855 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027855 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0027855 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0027855 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027855 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0027855 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0027855 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0027855 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0027855 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027855 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0027855 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0027855 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0027855 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0027855 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0027855 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027855 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027855 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0027855 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0027855 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0027855 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0027855 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027855 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0027855 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027855 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0027855 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0027855 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0027855 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0027855 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0027855 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027855 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027855 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0027855 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0027855 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0027855 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0027855 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027855 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027855 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 141) = ( 0.0000000 0.0000000 0.0126033), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0252067), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.0378100), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.0504134), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.0630167), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.0756201), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.0882234), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.1008268), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.1134301), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.1260335), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.1386368), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.1512402), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.1638435), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.1764469), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.1890502), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.2016536), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.2142569), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.2268603), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.2394636), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.2520670), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.2646703), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.2772736), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.2898770), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.3024803), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.3150837), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.3276870), wk = 0.0027855 k( 167) = ( 0.0000000 0.0000000 0.3276870), wk = 0.0027855 k( 168) = ( 0.0000000 0.0125000 0.3276870), wk = 0.0027855 k( 169) = ( 0.0000000 0.0250000 0.3276870), wk = 0.0027855 k( 170) = ( 0.0000000 0.0375000 0.3276870), wk = 0.0027855 k( 171) = ( 0.0000000 0.0500000 0.3276870), wk = 0.0027855 k( 172) = ( 0.0000000 0.0625000 0.3276870), wk = 0.0027855 k( 173) = ( 0.0000000 0.0750000 0.3276870), wk = 0.0027855 k( 174) = ( 0.0000000 0.0875000 0.3276870), wk = 0.0027855 k( 175) = ( 0.0000000 0.1000000 0.3276870), wk = 0.0027855 k( 176) = ( 0.0000000 0.1125000 0.3276870), wk = 0.0027855 k( 177) = ( 0.0000000 0.1250000 0.3276870), wk = 0.0027855 k( 178) = ( 0.0000000 0.1375000 0.3276870), wk = 0.0027855 k( 179) = ( 0.0000000 0.1500000 0.3276870), wk = 0.0027855 k( 180) = ( 0.0000000 0.1625000 0.3276870), wk = 0.0027855 k( 181) = ( 0.0000000 0.1750000 0.3276870), wk = 0.0027855 k( 182) = ( 0.0000000 0.1875000 0.3276870), wk = 0.0027855 k( 183) = ( 0.0000000 0.2000000 0.3276870), wk = 0.0027855 k( 184) = ( 0.0000000 0.2125000 0.3276870), wk = 0.0027855 k( 185) = ( 0.0000000 0.2250000 0.3276870), wk = 0.0027855 k( 186) = ( 0.0000000 0.2375000 0.3276870), wk = 0.0027855 k( 187) = ( 0.0000000 0.2500000 0.3276870), wk = 0.0027855 k( 188) = ( 0.0000000 0.2625000 0.3276870), wk = 0.0027855 k( 189) = ( 0.0000000 0.2750000 0.3276870), wk = 0.0027855 k( 190) = ( 0.0000000 0.2875000 0.3276870), wk = 0.0027855 k( 191) = ( 0.0000000 0.3000000 0.3276870), wk = 0.0027855 k( 192) = ( 0.0000000 0.3125000 0.3276870), wk = 0.0027855 k( 193) = ( 0.0000000 0.3250000 0.3276870), wk = 0.0027855 k( 194) = ( 0.0000000 0.3375000 0.3276870), wk = 0.0027855 k( 195) = ( 0.0000000 0.3500000 0.3276870), wk = 0.0027855 k( 196) = ( 0.0000000 0.3625000 0.3276870), wk = 0.0027855 k( 197) = ( 0.0000000 0.3750000 0.3276870), wk = 0.0027855 k( 198) = ( 0.0000000 0.3875000 0.3276870), wk = 0.0027855 k( 199) = ( 0.0000000 0.4000000 0.3276870), wk = 0.0027855 k( 200) = ( 0.0000000 0.4125000 0.3276870), wk = 0.0027855 k( 201) = ( 0.0000000 0.4250000 0.3276870), wk = 0.0027855 k( 202) = ( 0.0000000 0.4375000 0.3276870), wk = 0.0027855 k( 203) = ( 0.0000000 0.4500000 0.3276870), wk = 0.0027855 k( 204) = ( 0.0000000 0.4625000 0.3276870), wk = 0.0027855 k( 205) = ( 0.0000000 0.4750000 0.3276870), wk = 0.0027855 k( 206) = ( 0.0000000 0.4875000 0.3276870), wk = 0.0027855 k( 207) = ( 0.0000000 0.5000000 0.3276870), wk = 0.0027855 k( 208) = ( 0.0000000 0.5000000 0.3276870), wk = 0.0027855 k( 209) = ( 0.0125000 0.5000000 0.3276870), wk = 0.0027855 k( 210) = ( 0.0250000 0.5000000 0.3276870), wk = 0.0027855 k( 211) = ( 0.0375000 0.5000000 0.3276870), wk = 0.0027855 k( 212) = ( 0.0500000 0.5000000 0.3276870), wk = 0.0027855 k( 213) = ( 0.0625000 0.5000000 0.3276870), wk = 0.0027855 k( 214) = ( 0.0750000 0.5000000 0.3276870), wk = 0.0027855 k( 215) = ( 0.0875000 0.5000000 0.3276870), wk = 0.0027855 k( 216) = ( 0.1000000 0.5000000 0.3276870), wk = 0.0027855 k( 217) = ( 0.1125000 0.5000000 0.3276870), wk = 0.0027855 k( 218) = ( 0.1250000 0.5000000 0.3276870), wk = 0.0027855 k( 219) = ( 0.1375000 0.5000000 0.3276870), wk = 0.0027855 k( 220) = ( 0.1500000 0.5000000 0.3276870), wk = 0.0027855 k( 221) = ( 0.1625000 0.5000000 0.3276870), wk = 0.0027855 k( 222) = ( 0.1750000 0.5000000 0.3276870), wk = 0.0027855 k( 223) = ( 0.1875000 0.5000000 0.3276870), wk = 0.0027855 k( 224) = ( 0.2000000 0.5000000 0.3276870), wk = 0.0027855 k( 225) = ( 0.2125000 0.5000000 0.3276870), wk = 0.0027855 k( 226) = ( 0.2250000 0.5000000 0.3276870), wk = 0.0027855 k( 227) = ( 0.2375000 0.5000000 0.3276870), wk = 0.0027855 k( 228) = ( 0.2500000 0.5000000 0.3276870), wk = 0.0027855 k( 229) = ( 0.2625000 0.5000000 0.3276870), wk = 0.0027855 k( 230) = ( 0.2750000 0.5000000 0.3276870), wk = 0.0027855 k( 231) = ( 0.2875000 0.5000000 0.3276870), wk = 0.0027855 k( 232) = ( 0.3000000 0.5000000 0.3276870), wk = 0.0027855 k( 233) = ( 0.3125000 0.5000000 0.3276870), wk = 0.0027855 k( 234) = ( 0.3250000 0.5000000 0.3276870), wk = 0.0027855 k( 235) = ( 0.3375000 0.5000000 0.3276870), wk = 0.0027855 k( 236) = ( 0.3500000 0.5000000 0.3276870), wk = 0.0027855 k( 237) = ( 0.3625000 0.5000000 0.3276870), wk = 0.0027855 k( 238) = ( 0.3750000 0.5000000 0.3276870), wk = 0.0027855 k( 239) = ( 0.3875000 0.5000000 0.3276870), wk = 0.0027855 k( 240) = ( 0.4000000 0.5000000 0.3276870), wk = 0.0027855 k( 241) = ( 0.4125000 0.5000000 0.3276870), wk = 0.0027855 k( 242) = ( 0.4250000 0.5000000 0.3276870), wk = 0.0027855 k( 243) = ( 0.4375000 0.5000000 0.3276870), wk = 0.0027855 k( 244) = ( 0.4500000 0.5000000 0.3276870), wk = 0.0027855 k( 245) = ( 0.4625000 0.5000000 0.3276870), wk = 0.0027855 k( 246) = ( 0.4750000 0.5000000 0.3276870), wk = 0.0027855 k( 247) = ( 0.4875000 0.5000000 0.3276870), wk = 0.0027855 k( 248) = ( 0.5000000 0.5000000 0.3276870), wk = 0.0027855 k( 249) = ( 0.5000000 0.5000000 0.3276870), wk = 0.0027855 k( 250) = ( 0.4910714 0.4910714 0.3276870), wk = 0.0027855 k( 251) = ( 0.4821429 0.4821429 0.3276870), wk = 0.0027855 k( 252) = ( 0.4732143 0.4732143 0.3276870), wk = 0.0027855 k( 253) = ( 0.4642857 0.4642857 0.3276870), wk = 0.0027855 k( 254) = ( 0.4553571 0.4553571 0.3276870), wk = 0.0027855 k( 255) = ( 0.4464286 0.4464286 0.3276870), wk = 0.0027855 k( 256) = ( 0.4375000 0.4375000 0.3276870), wk = 0.0027855 k( 257) = ( 0.4285714 0.4285714 0.3276870), wk = 0.0027855 k( 258) = ( 0.4196429 0.4196429 0.3276870), wk = 0.0027855 k( 259) = ( 0.4107143 0.4107143 0.3276870), wk = 0.0027855 k( 260) = ( 0.4017857 0.4017857 0.3276870), wk = 0.0027855 k( 261) = ( 0.3928571 0.3928571 0.3276870), wk = 0.0027855 k( 262) = ( 0.3839286 0.3839286 0.3276870), wk = 0.0027855 k( 263) = ( 0.3750000 0.3750000 0.3276870), wk = 0.0027855 k( 264) = ( 0.3660714 0.3660714 0.3276870), wk = 0.0027855 k( 265) = ( 0.3571429 0.3571429 0.3276870), wk = 0.0027855 k( 266) = ( 0.3482143 0.3482143 0.3276870), wk = 0.0027855 k( 267) = ( 0.3392857 0.3392857 0.3276870), wk = 0.0027855 k( 268) = ( 0.3303571 0.3303571 0.3276870), wk = 0.0027855 k( 269) = ( 0.3214286 0.3214286 0.3276870), wk = 0.0027855 k( 270) = ( 0.3125000 0.3125000 0.3276870), wk = 0.0027855 k( 271) = ( 0.3035714 0.3035714 0.3276870), wk = 0.0027855 k( 272) = ( 0.2946429 0.2946429 0.3276870), wk = 0.0027855 k( 273) = ( 0.2857143 0.2857143 0.3276870), wk = 0.0027855 k( 274) = ( 0.2767857 0.2767857 0.3276870), wk = 0.0027855 k( 275) = ( 0.2678571 0.2678571 0.3276870), wk = 0.0027855 k( 276) = ( 0.2589286 0.2589286 0.3276870), wk = 0.0027855 k( 277) = ( 0.2500000 0.2500000 0.3276870), wk = 0.0027855 k( 278) = ( 0.2410714 0.2410714 0.3276870), wk = 0.0027855 k( 279) = ( 0.2321429 0.2321429 0.3276870), wk = 0.0027855 k( 280) = ( 0.2232143 0.2232143 0.3276870), wk = 0.0027855 k( 281) = ( 0.2142857 0.2142857 0.3276870), wk = 0.0027855 k( 282) = ( 0.2053571 0.2053571 0.3276870), wk = 0.0027855 k( 283) = ( 0.1964286 0.1964286 0.3276870), wk = 0.0027855 k( 284) = ( 0.1875000 0.1875000 0.3276870), wk = 0.0027855 k( 285) = ( 0.1785714 0.1785714 0.3276870), wk = 0.0027855 k( 286) = ( 0.1696429 0.1696429 0.3276870), wk = 0.0027855 k( 287) = ( 0.1607143 0.1607143 0.3276870), wk = 0.0027855 k( 288) = ( 0.1517857 0.1517857 0.3276870), wk = 0.0027855 k( 289) = ( 0.1428571 0.1428571 0.3276870), wk = 0.0027855 k( 290) = ( 0.1339286 0.1339286 0.3276870), wk = 0.0027855 k( 291) = ( 0.1250000 0.1250000 0.3276870), wk = 0.0027855 k( 292) = ( 0.1160714 0.1160714 0.3276870), wk = 0.0027855 k( 293) = ( 0.1071429 0.1071429 0.3276870), wk = 0.0027855 k( 294) = ( 0.0982143 0.0982143 0.3276870), wk = 0.0027855 k( 295) = ( 0.0892857 0.0892857 0.3276870), wk = 0.0027855 k( 296) = ( 0.0803571 0.0803571 0.3276870), wk = 0.0027855 k( 297) = ( 0.0714286 0.0714286 0.3276870), wk = 0.0027855 k( 298) = ( 0.0625000 0.0625000 0.3276870), wk = 0.0027855 k( 299) = ( 0.0535714 0.0535714 0.3276870), wk = 0.0027855 k( 300) = ( 0.0446429 0.0446429 0.3276870), wk = 0.0027855 k( 301) = ( 0.0357143 0.0357143 0.3276870), wk = 0.0027855 k( 302) = ( 0.0267857 0.0267857 0.3276870), wk = 0.0027855 k( 303) = ( 0.0178571 0.0178571 0.3276870), wk = 0.0027855 k( 304) = ( 0.0089286 0.0089286 0.3276870), wk = 0.0027855 k( 305) = ( 0.0000000 0.0000000 0.3276870), wk = 0.0027855 k( 306) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 307) = ( 0.0000000 0.5000000 0.0126033), wk = 0.0027855 k( 308) = ( 0.0000000 0.5000000 0.0252067), wk = 0.0027855 k( 309) = ( 0.0000000 0.5000000 0.0378100), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 0.0504134), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0630167), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.0756201), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.0882234), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.1008268), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.1134301), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.1260335), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.1386368), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.1512402), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.1638435), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.1764469), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.1890502), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.2016536), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.2142569), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.2268603), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.2394636), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.2520670), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.2646703), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.2772736), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.2898770), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.3024803), wk = 0.0027855 k( 331) = ( 0.0000000 0.5000000 0.3150837), wk = 0.0027855 k( 332) = ( 0.0000000 0.5000000 0.3276870), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.0126033), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.0252067), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0378100), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.0504134), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.0630167), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.0756201), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.0882234), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.1008268), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.1134301), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.1260335), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.1386368), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.1512402), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.1638435), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.1764469), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.1890502), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.2016536), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.2142569), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.2268603), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.2394636), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.2520670), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.2646703), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.2772736), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.2898770), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.3024803), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.3150837), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.3276870), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0027855 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0027855 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0027855 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0027855 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0027855 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027855 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0027855 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027855 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0027855 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0027855 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0027855 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0027855 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0027855 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0027855 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027855 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0027855 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0027855 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0027855 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027855 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0027855 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0027855 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0027855 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0027855 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0027855 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0027855 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027855 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0027855 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0027855 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0027855 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0027855 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0027855 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0027855 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027855 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0027855 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0027855 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0027855 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0027855 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027855 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0027855 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0027855 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0027855 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0027855 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0027855 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027855 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0027855 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0027855 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027855 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027855 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0027855 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0027855 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0027855 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027855 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0027855 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0027855 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0027855 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0027855 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0027855 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027855 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027855 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0027855 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0027855 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0027855 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0027855 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027855 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0027855 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027855 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0027855 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0027855 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0027855 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0027855 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0027855 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027855 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027855 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0027855 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0027855 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0027855 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0027855 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027855 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027855 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 141) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 168) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0027855 k( 169) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0027855 k( 170) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0027855 k( 171) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0027855 k( 172) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0027855 k( 173) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0027855 k( 174) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0027855 k( 175) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027855 k( 176) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0027855 k( 177) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027855 k( 178) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0027855 k( 179) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0027855 k( 180) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0027855 k( 181) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0027855 k( 182) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0027855 k( 183) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027855 k( 184) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0027855 k( 185) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0027855 k( 186) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0027855 k( 187) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027855 k( 188) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0027855 k( 189) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0027855 k( 190) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0027855 k( 191) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027855 k( 192) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0027855 k( 193) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0027855 k( 194) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0027855 k( 195) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0027855 k( 196) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0027855 k( 197) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027855 k( 198) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0027855 k( 199) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027855 k( 200) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0027855 k( 201) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0027855 k( 202) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0027855 k( 203) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0027855 k( 204) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0027855 k( 205) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0027855 k( 206) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0027855 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 208) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 209) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027855 k( 210) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027855 k( 211) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027855 k( 212) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027855 k( 213) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027855 k( 214) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027855 k( 215) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027855 k( 216) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027855 k( 217) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027855 k( 218) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027855 k( 219) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027855 k( 220) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027855 k( 221) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027855 k( 222) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027855 k( 223) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027855 k( 224) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027855 k( 225) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027855 k( 226) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027855 k( 227) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027855 k( 228) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027855 k( 229) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027855 k( 230) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027855 k( 231) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027855 k( 232) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027855 k( 233) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027855 k( 234) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027855 k( 235) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027855 k( 236) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027855 k( 237) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027855 k( 238) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027855 k( 239) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027855 k( 240) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027855 k( 241) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027855 k( 242) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027855 k( 243) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027855 k( 244) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027855 k( 247) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027855 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 250) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0027855 k( 251) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0027855 k( 252) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0027855 k( 253) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0027855 k( 254) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0027855 k( 255) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0027855 k( 256) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0027855 k( 257) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0027855 k( 258) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0027855 k( 259) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0027855 k( 260) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0027855 k( 261) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0027855 k( 262) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0027855 k( 263) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0027855 k( 264) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0027855 k( 265) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0027855 k( 266) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0027855 k( 267) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0027855 k( 268) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0027855 k( 269) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0027855 k( 270) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0027855 k( 271) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0027855 k( 272) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0027855 k( 273) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027855 k( 274) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0027855 k( 275) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0027855 k( 276) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0027855 k( 277) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027855 k( 278) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0027855 k( 279) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0027855 k( 280) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0027855 k( 281) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0027855 k( 282) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0027855 k( 283) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0027855 k( 284) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0027855 k( 285) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0027855 k( 286) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0027855 k( 287) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0027855 k( 288) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0027855 k( 289) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027855 k( 290) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0027855 k( 291) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027855 k( 292) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0027855 k( 293) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0027855 k( 294) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0027855 k( 295) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0027855 k( 296) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0027855 k( 297) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0027855 k( 298) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0027855 k( 299) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0027855 k( 300) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0027855 k( 301) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0027855 k( 302) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0027855 k( 303) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0027855 k( 304) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0027855 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 306) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 307) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0027855 k( 308) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0027855 k( 309) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0027855 k( 331) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0027855 k( 332) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 Dense grid: 41917 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 27725 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 214, 64) NL pseudopotentials 0.33 Mb ( 107, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1165) G-vector shells 0.00 Mb ( 598) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 214, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.40 Mb ( 204, 2, 64) The potential is recalculated from file : ./Cu2Sb.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.7 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.0 secs Computing kpt #: 21 total cpu time spent up to now is 14.5 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 16.0 secs Computing kpt #: 25 total cpu time spent up to now is 16.5 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.6 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 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Computing kpt #: 62 total cpu time spent up to now is 35.5 secs Computing kpt #: 63 total cpu time spent up to now is 36.0 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 36.8 secs Computing kpt #: 66 total cpu time spent up to now is 37.3 secs Computing kpt #: 67 total cpu time spent up to now is 37.7 secs Computing kpt #: 68 total cpu time spent up to now is 38.1 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 38.9 secs Computing kpt #: 71 total cpu time spent up to now is 39.3 secs Computing kpt #: 72 total cpu time spent up to now is 39.7 secs Computing kpt #: 73 total cpu time spent up to now is 40.1 secs Computing kpt #: 74 total cpu time spent up to now is 40.5 secs Computing kpt #: 75 total cpu time spent up to now is 41.0 secs Computing kpt #: 76 total cpu time spent up to now is 41.4 secs Computing kpt #: 77 total cpu time spent 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total cpu time spent up to now is 71.1 secs Computing kpt #: 140 total cpu time spent up to now is 71.7 secs Computing kpt #: 141 total cpu time spent up to now is 72.4 secs Computing kpt #: 142 total cpu time spent up to now is 73.0 secs Computing kpt #: 143 total cpu time spent up to now is 73.6 secs Computing kpt #: 144 total cpu time spent up to now is 74.2 secs Computing kpt #: 145 total cpu time spent up to now is 74.8 secs Computing kpt #: 146 total cpu time spent up to now is 75.3 secs Computing kpt #: 147 total cpu time spent up to now is 75.9 secs Computing kpt #: 148 total cpu time spent up to now is 76.4 secs Computing kpt #: 149 total cpu time spent up to now is 76.9 secs Computing kpt #: 150 total cpu time spent up to now is 77.3 secs Computing kpt #: 151 total cpu time spent up to now is 77.8 secs Computing kpt #: 152 total cpu time spent up to now is 78.2 secs Computing kpt #: 153 total cpu time spent up to now is 78.7 secs Computing kpt #: 154 total cpu time spent up 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Computing kpt #: 170 total cpu time spent up to now is 86.4 secs Computing kpt #: 171 total cpu time spent up to now is 86.8 secs Computing kpt #: 172 total cpu time spent up to now is 87.3 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.2 secs Computing kpt #: 175 total cpu time spent up to now is 88.7 secs Computing kpt #: 176 total cpu time spent up to now is 89.2 secs Computing kpt #: 177 total cpu time spent up to now is 89.7 secs Computing kpt #: 178 total cpu time spent up to now is 90.2 secs Computing kpt #: 179 total cpu time spent up to now is 90.7 secs Computing kpt #: 180 total cpu time spent up to now is 91.2 secs Computing kpt #: 181 total cpu time spent up to now is 91.6 secs Computing kpt #: 182 total cpu time spent up to now is 92.1 secs Computing kpt #: 183 total cpu time spent up to now is 92.6 secs Computing kpt #: 184 total cpu time spent up to now is 93.1 secs Computing kpt #: 185 total cpu time spent up to now is 93.5 secs Computing kpt #: 186 total cpu time spent up to now is 94.0 secs Computing kpt #: 187 total cpu time spent up to now is 94.5 secs Computing kpt #: 188 total cpu time spent up to now is 94.9 secs Computing kpt #: 189 total cpu time spent up to now is 95.4 secs Computing kpt #: 190 total cpu time spent up to now is 95.8 secs Computing kpt #: 191 total cpu time spent up to now is 96.3 secs Computing kpt #: 192 total cpu time spent up to now is 96.8 secs Computing kpt #: 193 total cpu time spent up to now is 97.3 secs Computing kpt #: 194 total cpu time spent up to now is 97.7 secs Computing kpt #: 195 total cpu time spent up to now is 98.2 secs Computing kpt #: 196 total cpu time spent up to now is 98.7 secs Computing kpt #: 197 total cpu time spent up to now is 99.1 secs Computing kpt #: 198 total cpu time spent up to now is 99.6 secs Computing kpt #: 199 total cpu time spent up to now is 100.1 secs Computing kpt #: 200 total cpu time spent up to now is 100.6 secs Computing kpt #: 201 total cpu time spent up to now is 101.1 secs Computing kpt #: 202 total cpu time spent up to now is 101.6 secs Computing kpt #: 203 total cpu time spent up to now is 102.2 secs Computing kpt #: 204 total cpu time spent up to now is 102.7 secs Computing kpt #: 205 total cpu time spent up to now is 103.2 secs Computing kpt #: 206 total cpu time spent up to now is 103.7 secs Computing kpt #: 207 total cpu time spent up to now is 104.3 secs Computing kpt #: 208 total cpu time spent up to now is 104.8 secs Computing kpt #: 209 total cpu time spent up to now is 105.3 secs Computing kpt #: 210 total cpu time spent up to now is 105.8 secs Computing kpt #: 211 total cpu time spent up to now is 106.2 secs Computing kpt #: 212 total cpu time spent up to now is 106.7 secs Computing kpt #: 213 total cpu time spent up to now is 107.1 secs Computing kpt #: 214 total cpu time spent up to now is 107.6 secs Computing kpt #: 215 total cpu time spent up to now is 108.0 secs Computing kpt #: 216 total cpu time spent up to now is 108.5 secs Computing kpt #: 217 total cpu time spent up to now is 108.9 secs Computing kpt #: 218 total cpu time spent up to now is 109.4 secs Computing kpt #: 219 total cpu time spent up to now is 109.8 secs Computing kpt #: 220 total cpu time spent up to now is 110.2 secs Computing kpt #: 221 total cpu time spent up to now is 110.6 secs Computing kpt #: 222 total cpu time spent up to now is 111.1 secs Computing kpt #: 223 total cpu time spent up to now is 111.5 secs Computing kpt #: 224 total cpu time spent up to now is 111.9 secs Computing kpt #: 225 total cpu time spent up to now is 112.3 secs Computing kpt #: 226 total cpu time spent up to now is 112.8 secs Computing kpt #: 227 total cpu time spent up to now is 113.2 secs Computing kpt #: 228 total cpu time spent up to now is 113.6 secs Computing kpt #: 229 total cpu time spent up to now is 114.0 secs Computing kpt #: 230 total cpu time spent up to now is 114.5 secs Computing kpt #: 231 total cpu time spent up to now is 114.9 secs Computing kpt #: 232 total cpu time spent up to now is 115.3 secs Computing kpt #: 233 total cpu time spent up to now is 115.7 secs Computing kpt #: 234 total cpu time spent up to now is 116.2 secs Computing kpt #: 235 total cpu time spent up to now is 116.6 secs Computing kpt #: 236 total cpu time spent up to now is 117.1 secs Computing kpt #: 237 total cpu time spent up to now is 117.5 secs Computing kpt #: 238 total cpu time spent up to now is 117.9 secs Computing kpt #: 239 total cpu time spent up to now is 118.4 secs Computing kpt #: 240 total cpu time spent up to now is 118.8 secs Computing kpt #: 241 total cpu time spent up to now is 119.3 secs Computing kpt #: 242 total cpu time spent up to now is 119.7 secs Computing kpt #: 243 total cpu time spent up to now is 120.2 secs Computing kpt #: 244 total cpu time spent up to now is 120.6 secs Computing kpt #: 245 total cpu time spent up to now is 121.1 secs Computing kpt #: 246 total cpu time spent up to now is 121.7 secs Computing kpt #: 247 total cpu time spent up to now is 122.2 secs Computing kpt #: 248 total cpu time spent up to now is 122.8 secs Computing kpt #: 249 total cpu time spent up to now is 123.4 secs Computing kpt #: 250 total cpu time spent up to now is 123.9 secs Computing kpt #: 251 total cpu time spent up to now is 124.4 secs Computing kpt #: 252 total cpu time spent up to now is 124.8 secs Computing kpt #: 253 total cpu time spent up to now is 125.3 secs Computing kpt #: 254 total cpu time spent up to now is 125.8 secs Computing kpt #: 255 total cpu time spent up to now is 126.3 secs Computing kpt #: 256 total cpu time spent up to now is 126.8 secs Computing kpt #: 257 total cpu time spent up to now is 127.3 secs Computing kpt #: 258 total cpu time spent up to now is 127.7 secs Computing kpt #: 259 total cpu time spent up to now is 128.2 secs Computing kpt #: 260 total cpu time spent up to now is 128.7 secs Computing kpt #: 261 total cpu time spent up to now is 129.2 secs Computing kpt #: 262 total cpu time spent up to now is 129.7 secs Computing kpt #: 263 total cpu time spent up to now is 130.2 secs Computing kpt #: 264 total cpu time spent up to now is 130.8 secs Computing kpt #: 265 total cpu time spent up to now is 131.3 secs Computing kpt #: 266 total cpu time spent up to now is 131.9 secs Computing kpt #: 267 total cpu time spent up to now is 132.4 secs Computing kpt #: 268 total cpu time spent up to now is 133.0 secs Computing kpt #: 269 total cpu time spent up to now is 133.6 secs Computing kpt #: 270 total cpu time spent up to now is 134.1 secs Computing kpt #: 271 total cpu time spent up to now is 134.7 secs Computing kpt #: 272 total cpu time spent up to now is 135.3 secs Computing kpt #: 273 total cpu time spent up to now is 135.9 secs Computing kpt #: 274 total cpu time spent up to now is 136.4 secs Computing kpt #: 275 total cpu time spent up to now is 137.0 secs Computing kpt #: 276 total cpu time spent up to now is 137.5 secs Computing kpt #: 277 total cpu time spent up to now is 138.0 secs Computing kpt #: 278 total cpu time spent up to now is 138.5 secs Computing kpt #: 279 total cpu time spent up to now is 139.0 secs Computing kpt #: 280 total cpu time spent up to now is 139.6 secs Computing kpt #: 281 total cpu time spent up to now is 140.2 secs Computing kpt #: 282 total cpu time spent up to now is 140.8 secs Computing kpt #: 283 total cpu time spent up to now is 141.3 secs Computing kpt #: 284 total cpu time spent up to now is 141.9 secs Computing kpt #: 285 total cpu time spent up to now is 142.5 secs Computing kpt #: 286 total cpu time spent up to now is 143.0 secs Computing kpt #: 287 total cpu time spent up to now is 143.6 secs Computing kpt #: 288 total cpu time spent up to now is 144.1 secs Computing kpt #: 289 total cpu time spent up to now is 144.6 secs Computing kpt #: 290 total cpu time spent up to now is 145.2 secs Computing kpt #: 291 total cpu time spent up to now is 145.6 secs Computing kpt #: 292 total cpu time spent up to now is 146.1 secs Computing kpt #: 293 total cpu time spent up to now is 146.6 secs Computing kpt #: 294 total cpu time spent up to now is 147.1 secs Computing kpt #: 295 total cpu time spent up to now is 147.7 secs Computing kpt #: 296 total cpu time spent up to now is 148.2 secs Computing kpt #: 297 total cpu time spent up to now is 148.7 secs Computing kpt #: 298 total cpu time spent up to now is 149.1 secs Computing kpt #: 299 total cpu time spent up to now is 149.6 secs Computing kpt #: 300 total cpu time spent up to now is 150.1 secs Computing kpt #: 301 total cpu time spent up to now is 150.5 secs Computing kpt #: 302 total cpu time spent up to now is 151.0 secs Computing kpt #: 303 total cpu time spent up to now is 151.4 secs Computing kpt #: 304 total cpu time spent up to now is 151.9 secs Computing kpt #: 305 total cpu time spent up to now is 152.3 secs Computing kpt #: 306 total cpu time spent up to now is 152.8 secs Computing kpt #: 307 total cpu time spent up to now is 153.3 secs Computing kpt #: 308 total cpu time spent up to now is 153.9 secs Computing kpt #: 309 total cpu time spent up to now is 154.4 secs Computing kpt #: 310 total cpu time spent up to now is 154.9 secs Computing kpt #: 311 total cpu time spent up to now is 155.4 secs Computing kpt #: 312 total cpu time spent up to now is 155.9 secs Computing kpt #: 313 total cpu time spent up to now is 156.4 secs Computing kpt #: 314 total cpu time spent up to now is 156.9 secs Computing kpt #: 315 total cpu time spent up to now is 157.4 secs Computing kpt #: 316 total cpu time spent up to now is 157.9 secs Computing kpt #: 317 total cpu time spent up to now is 158.3 secs Computing kpt #: 318 total cpu time spent up to now is 158.8 secs Computing kpt #: 319 total cpu time spent up to now is 159.3 secs Computing kpt #: 320 total cpu time spent up to now is 159.8 secs Computing kpt #: 321 total cpu time spent up to now is 160.2 secs Computing kpt #: 322 total cpu time spent up to now is 160.7 secs Computing kpt #: 323 total cpu time spent up to now is 161.2 secs Computing kpt #: 324 total cpu time spent up to now is 161.6 secs Computing kpt #: 325 total cpu time spent up to now is 162.1 secs Computing kpt #: 326 total cpu time spent up to now is 162.6 secs Computing kpt #: 327 total cpu time spent up to now is 163.1 secs Computing kpt #: 328 total cpu time spent up to now is 163.6 secs Computing kpt #: 329 total cpu time spent up to now is 164.1 secs Computing kpt #: 330 total cpu time spent up to now is 164.6 secs Computing kpt #: 331 total cpu time spent up to now is 165.1 secs Computing kpt #: 332 total cpu time spent up to now is 165.6 secs Computing kpt #: 333 total cpu time spent up to now is 166.0 secs Computing kpt #: 334 total cpu time spent up to now is 166.4 secs Computing kpt #: 335 total cpu time spent up to now is 166.8 secs Computing kpt #: 336 total cpu time spent up to now is 167.2 secs Computing kpt #: 337 total cpu time spent up to now is 167.6 secs Computing kpt #: 338 total cpu time spent up to now is 168.0 secs Computing kpt #: 339 total cpu time spent up to now is 168.4 secs Computing kpt #: 340 total cpu time spent up to now is 168.8 secs Computing kpt #: 341 total cpu time spent up to now is 169.2 secs Computing kpt #: 342 total cpu time spent up to now is 169.6 secs Computing kpt #: 343 total cpu time spent up to now is 170.0 secs Computing kpt #: 344 total cpu time spent up to now is 170.4 secs Computing kpt #: 345 total cpu time spent up to now is 170.8 secs Computing kpt #: 346 total cpu time spent up to now is 171.2 secs Computing kpt #: 347 total cpu time spent up to now is 171.6 secs Computing kpt #: 348 total cpu time spent up to now is 172.1 secs Computing kpt #: 349 total cpu time spent up to now is 172.5 secs Computing kpt #: 350 total cpu time spent up to now is 172.9 secs Computing kpt #: 351 total cpu time spent up to now is 173.3 secs Computing kpt #: 352 total cpu time spent up to now is 173.7 secs Computing kpt #: 353 total cpu time spent up to now is 174.2 secs Computing kpt #: 354 total cpu time spent up to now is 174.6 secs Computing kpt #: 355 total cpu time spent up to now is 175.1 secs Computing kpt #: 356 total cpu time spent up to now is 175.5 secs Computing kpt #: 357 total cpu time spent up to now is 176.0 secs Computing kpt #: 358 total cpu time spent up to now is 176.5 secs Computing kpt #: 359 total cpu time spent up to now is 177.0 secs ethr = 1.85E-08, avg # of iterations = 17.1 total cpu time spent up to now is 177.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -1.4524 -1.4524 0.9198 0.9198 4.1646 4.1646 6.1795 6.1795 6.4210 6.4210 6.4362 6.4362 6.6326 6.6326 6.7173 6.7173 6.8342 6.8342 7.1697 7.1697 7.2686 7.2686 7.4807 7.4807 7.7886 7.7886 7.8154 7.8154 7.8235 7.8235 7.9220 7.9220 8.0114 8.0114 8.1479 8.1479 8.1772 8.1772 8.2426 8.2426 8.2938 8.2938 8.3214 8.3214 8.3226 8.3226 8.4102 8.4102 8.5759 8.5759 9.7736 9.7736 11.9019 11.9019 12.3728 12.3728 12.4877 12.4877 13.5461 13.5461 13.8565 13.8565 15.5364 15.5364 k = 0.0000 0.0125-0.0000 ( 3453 PWs) bands (ev): -1.4510 -1.4510 0.9204 0.9204 4.1659 4.1659 6.1793 6.1793 6.4205 6.4205 6.4356 6.4356 6.6329 6.6329 6.7149 6.7149 6.8345 6.8345 7.1695 7.1695 7.2685 7.2685 7.4806 7.4806 7.7720 7.7720 7.8177 7.8177 7.8305 7.8305 7.9234 7.9234 8.0112 8.0112 8.1454 8.1454 8.1770 8.1770 8.2426 8.2426 8.2908 8.2908 8.3198 8.3198 8.3231 8.3231 8.4108 8.4108 8.5743 8.5743 9.7858 9.7858 11.8861 11.8861 12.3181 12.3181 12.5572 12.5572 13.5424 13.5424 13.8612 13.8612 15.5337 15.5337 k = 0.0000 0.0250-0.0000 ( 3461 PWs) bands (ev): -1.4470 -1.4470 0.9222 0.9222 4.1697 4.1697 6.1791 6.1791 6.4191 6.4191 6.4342 6.4342 6.6337 6.6337 6.7082 6.7082 6.8353 6.8353 7.1689 7.1689 7.2681 7.2681 7.4804 7.4804 7.7434 7.7434 7.8100 7.8100 7.8456 7.8456 7.9269 7.9269 8.0106 8.0106 8.1389 8.1389 8.1751 8.1751 8.2426 8.2426 8.2820 8.2820 8.3181 8.3181 8.3232 8.3232 8.4088 8.4088 8.5743 8.5743 9.8204 9.8204 11.8367 11.8367 12.2523 12.2523 12.6695 12.6695 13.5315 13.5315 13.8755 13.8755 15.5227 15.5227 k = 0.0000 0.0375-0.0000 ( 3461 PWs) bands (ev): -1.4402 -1.4402 0.9252 0.9252 4.1762 4.1762 6.1785 6.1785 6.4166 6.4166 6.4321 6.4321 6.6350 6.6350 6.6970 6.6970 6.8366 6.8366 7.1677 7.1677 7.2675 7.2675 7.4800 7.4800 7.7113 7.7113 7.7974 7.7974 7.8557 7.8557 7.9318 7.9318 8.0094 8.0094 8.1295 8.1295 8.1687 8.1687 8.2422 8.2422 8.2699 8.2699 8.3175 8.3175 8.3230 8.3230 8.3985 8.3985 8.5855 8.5855 9.8729 9.8729 11.7544 11.7544 12.2115 12.2115 12.7875 12.7875 13.5135 13.5135 13.8994 13.8994 15.5012 15.5012 k = 0.0000 0.0500-0.0000 ( 3457 PWs) bands (ev): -1.4308 -1.4308 0.9294 0.9294 4.1852 4.1852 6.1773 6.1773 6.4126 6.4126 6.4296 6.4296 6.6367 6.6367 6.6816 6.6816 6.8382 6.8382 7.1659 7.1659 7.2668 7.2668 7.4795 7.4795 7.6772 7.6772 7.7811 7.7811 7.8574 7.8574 7.9370 7.9370 8.0076 8.0076 8.1181 8.1181 8.1553 8.1553 8.2413 8.2413 8.2586 8.2586 8.3168 8.3168 8.3234 8.3234 8.3820 8.3820 8.6114 8.6114 9.9375 9.9375 11.6480 11.6480 12.1931 12.1931 12.9048 12.9048 13.4892 13.4892 13.9327 13.9327 15.4740 15.4740 k = 0.0000 0.0625-0.0000 ( 3455 PWs) bands (ev): -1.4186 -1.4186 0.9347 0.9347 4.1968 4.1968 6.1749 6.1749 6.4066 6.4066 6.4270 6.4270 6.6379 6.6379 6.6626 6.6626 6.8402 6.8402 7.1631 7.1631 7.2660 7.2660 7.4787 7.4787 7.6419 7.6419 7.7611 7.7611 7.8482 7.8482 7.9418 7.9418 8.0047 8.0047 8.1051 8.1051 8.1363 8.1363 8.2401 8.2401 8.2509 8.2509 8.3144 8.3144 8.3252 8.3252 8.3666 8.3666 8.6493 8.6493 10.0087 10.0087 11.5276 11.5276 12.1896 12.1896 13.0175 13.0175 13.4601 13.4601 13.9753 13.9753 15.4469 15.4469 k = 0.0000 0.0750-0.0000 ( 3467 PWs) bands (ev): -1.4038 -1.4038 0.9411 0.9411 4.2110 4.2110 6.1705 6.1705 6.3986 6.3986 6.4244 6.4244 6.6306 6.6306 6.6482 6.6482 6.8421 6.8421 7.1589 7.1589 7.2652 7.2652 7.4776 7.4776 7.6065 7.6065 7.7366 7.7366 7.8268 7.8268 7.9455 7.9455 8.0009 8.0009 8.0916 8.0916 8.1173 8.1173 8.2392 8.2392 8.2459 8.2459 8.3093 8.3093 8.3280 8.3280 8.3568 8.3568 8.6958 8.6958 10.0818 10.0818 11.4005 11.4005 12.1954 12.1954 13.1211 13.1211 13.4301 13.4301 14.0266 14.0266 15.4247 15.4247 k = 0.0000 0.0875-0.0000 ( 3461 PWs) bands (ev): -1.3864 -1.3864 0.9484 0.9484 4.2277 4.2277 6.1628 6.1628 6.3885 6.3885 6.4218 6.4218 6.6055 6.6055 6.6488 6.6488 6.8443 6.8443 7.1533 7.1533 7.2647 7.2647 7.4758 7.4758 7.5718 7.5718 7.7055 7.7055 7.7966 7.7966 7.9475 7.9475 7.9967 7.9967 8.0800 8.0800 8.1019 8.1019 8.2391 8.2391 8.2419 8.2419 8.3026 8.3026 8.3311 8.3311 8.3534 8.3534 8.7489 8.7489 10.1529 10.1529 11.2707 11.2707 12.2074 12.2074 13.2033 13.2033 13.4118 13.4118 14.0861 14.0861 15.4110 15.4110 k = 0.0000 0.1000-0.0000 ( 3457 PWs) bands (ev): -1.3662 -1.3662 0.9567 0.9567 4.2469 4.2469 6.1500 6.1500 6.3763 6.3763 6.4191 6.4191 6.5756 6.5756 6.6523 6.6523 6.8464 6.8464 7.1458 7.1458 7.2642 7.2642 7.4721 7.4721 7.5394 7.5394 7.6655 7.6655 7.7646 7.7646 7.9469 7.9469 7.9929 7.9929 8.0710 8.0710 8.0907 8.0907 8.2373 8.2373 8.2402 8.2402 8.2954 8.2954 8.3340 8.3340 8.3547 8.3547 8.8072 8.8072 10.2188 10.2188 11.1409 11.1409 12.2241 12.2241 13.2342 13.2342 13.4356 13.4356 14.1527 14.1527 15.4086 15.4086 k = 0.0000 0.1125-0.0000 ( 3461 PWs) bands (ev): -1.3434 -1.3434 0.9657 0.9657 4.2686 4.2686 6.1297 6.1297 6.3618 6.3618 6.4160 6.4160 6.5451 6.5451 6.6566 6.6566 6.8484 6.8484 7.1362 7.1362 7.2639 7.2639 7.4637 7.4637 7.5126 7.5126 7.6178 7.6178 7.7359 7.7359 7.9433 7.9433 7.9899 7.9899 8.0630 8.0630 8.0837 8.0837 8.2330 8.2330 8.2410 8.2410 8.2884 8.2884 8.3366 8.3366 8.3592 8.3592 8.8698 8.8698 10.2769 10.2769 11.0130 11.0130 12.2443 12.2443 13.2122 13.2122 13.5045 13.5045 14.2252 14.2252 15.4198 15.4198 k = 0.0000 0.1250-0.0000 ( 3459 PWs) bands (ev): -1.3180 -1.3180 0.9754 0.9754 4.2928 4.2928 6.0989 6.0989 6.3450 6.3450 6.4126 6.4126 6.5172 6.5172 6.6616 6.6616 6.8503 6.8503 7.1243 7.1243 7.2634 7.2634 7.4458 7.4458 7.4966 7.4966 7.5670 7.5670 7.7110 7.7110 7.9366 7.9366 7.9875 7.9875 8.0554 8.0554 8.0803 8.0803 8.2282 8.2282 8.2420 8.2420 8.2819 8.2819 8.3393 8.3393 8.3657 8.3657 8.9362 8.9362 10.3247 10.3247 10.8888 10.8888 12.2674 12.2674 13.1697 13.1697 13.5877 13.5877 14.3017 14.3017 15.4465 15.4465 k = 0.0000 0.1375-0.0000 ( 3471 PWs) bands (ev): -1.2900 -1.2900 0.9857 0.9857 4.3195 4.3195 6.0552 6.0552 6.3253 6.3253 6.4090 6.4090 6.4947 6.4947 6.6671 6.6671 6.8519 6.8519 7.1100 7.1100 7.2625 7.2625 7.4203 7.4203 7.4891 7.4891 7.5180 7.5180 7.6888 7.6888 7.9270 7.9270 7.9852 7.9852 8.0485 8.0485 8.0788 8.0788 8.2229 8.2229 8.2428 8.2428 8.2759 8.2759 8.3425 8.3425 8.3733 8.3733 9.0058 9.0058 10.3589 10.3589 10.7707 10.7707 12.2930 12.2930 13.1215 13.1215 13.6722 13.6722 14.3805 14.3805 15.4904 15.4904 k = 0.0000 0.1500-0.0000 ( 3467 PWs) bands (ev): -1.2594 -1.2594 0.9963 0.9963 4.3486 4.3486 5.9977 5.9977 6.3029 6.3029 6.4058 6.4058 6.4791 6.4791 6.6730 6.6730 6.8534 6.8534 7.0935 7.0935 7.2611 7.2611 7.3927 7.3927 7.4686 7.4686 7.4893 7.4893 7.6689 7.6689 7.9149 7.9149 7.9830 7.9830 8.0428 8.0428 8.0781 8.0781 8.2173 8.2173 8.2434 8.2434 8.2707 8.2707 8.3465 8.3465 8.3817 8.3817 9.0785 9.0785 10.3748 10.3748 10.6634 10.6634 12.3206 12.3206 13.0730 13.0730 13.7546 13.7546 14.4593 14.4593 15.5525 15.5525 k = 0.0000 0.1625-0.0000 ( 3468 PWs) bands (ev): -1.2263 -1.2263 1.0071 1.0071 4.3801 4.3801 5.9274 5.9274 6.2774 6.2774 6.4034 6.4034 6.4701 6.4701 6.6793 6.6793 6.8546 6.8546 7.0748 7.0748 7.2587 7.2587 7.3650 7.3650 7.4292 7.4292 7.4862 7.4862 7.6511 7.6511 7.9009 7.9009 7.9804 7.9804 8.0382 8.0382 8.0775 8.0775 8.2113 8.2113 8.2436 8.2436 8.2661 8.2661 8.3513 8.3513 8.3908 8.3908 9.1539 9.1539 10.3619 10.3619 10.5770 10.5770 12.3498 12.3498 13.0270 13.0270 13.8338 13.8338 14.5363 14.5363 15.6335 15.6335 k = 0.0000 0.1750-0.0000 ( 3468 PWs) bands (ev): -1.1906 -1.1906 1.0179 1.0179 4.4139 4.4139 5.8464 5.8464 6.2487 6.2487 6.4019 6.4019 6.4666 6.4666 6.6859 6.6859 6.8555 6.8555 7.0543 7.0543 7.2547 7.2547 7.3372 7.3372 7.3948 7.3948 7.4843 7.4843 7.6357 7.6357 7.8854 7.8854 7.9777 7.9777 8.0344 8.0344 8.0767 8.0767 8.2048 8.2048 8.2433 8.2433 8.2621 8.2621 8.3569 8.3569 8.4003 8.4003 9.2317 9.2317 10.3095 10.3095 10.5224 10.5224 12.3802 12.3802 12.9853 12.9853 13.9096 13.9096 14.6103 14.6103 15.7322 15.7322 k = 0.0000 0.1875-0.0000 ( 3468 PWs) bands (ev): -1.1524 -1.1524 1.0285 1.0285 4.4500 4.4500 5.7575 5.7575 6.2166 6.2166 6.4011 6.4011 6.4673 6.4673 6.6930 6.6930 6.8560 6.8560 7.0324 7.0324 7.2481 7.2481 7.3098 7.3098 7.3666 7.3666 7.4825 7.4825 7.6230 7.6230 7.8690 7.8690 7.9750 7.9750 8.0309 8.0309 8.0755 8.0755 8.1978 8.1978 8.2426 8.2426 8.2588 8.2588 8.3635 8.3635 8.4104 8.4104 9.3119 9.3119 10.2278 10.2278 10.4896 10.4896 12.4113 12.4113 12.9491 12.9491 13.9821 13.9821 14.6807 14.6807 15.8408 15.8408 k = 0.0000 0.2000-0.0000 ( 3474 PWs) bands (ev): -1.1118 -1.1118 1.0385 1.0385 4.4883 4.4883 5.6633 5.6633 6.1810 6.1810 6.4007 6.4007 6.4716 6.4716 6.7004 6.7004 6.8560 6.8560 7.0093 7.0093 7.2371 7.2371 7.2848 7.2848 7.3436 7.3436 7.4802 7.4802 7.6135 7.6135 7.8520 7.8520 7.9724 7.9724 8.0274 8.0274 8.0738 8.0738 8.1903 8.1903 8.2415 8.2415 8.2561 8.2561 8.3708 8.3708 8.4209 8.4209 9.3942 9.3942 10.1356 10.1356 10.4606 10.4606 12.4428 12.4428 12.9193 12.9193 14.0513 14.0513 14.7474 14.7474 15.9213 15.9213 k = 0.0000 0.2125-0.0000 ( 3470 PWs) bands (ev): -1.0687 -1.0687 1.0479 1.0479 4.5288 4.5288 5.5660 5.5660 6.1419 6.1419 6.4006 6.4006 6.4787 6.4787 6.7081 6.7081 6.8556 6.8556 6.9856 6.9856 7.2183 7.2183 7.2657 7.2657 7.3246 7.3246 7.4774 7.4774 7.6073 7.6073 7.8350 7.8350 7.9699 7.9699 8.0236 8.0236 8.0717 8.0717 8.1824 8.1824 8.2403 8.2403 8.2539 8.2539 8.3790 8.3790 8.4319 8.4319 9.4785 9.4785 10.0421 10.0421 10.4270 10.4270 12.4742 12.4742 12.8963 12.8963 14.1174 14.1174 14.8111 14.8111 15.9743 15.9743 k = 0.0000 0.2250-0.0000 ( 3474 PWs) bands (ev): -1.0232 -1.0232 1.0561 1.0561 4.5714 4.5714 5.4677 5.4677 6.0990 6.0990 6.4005 6.4005 6.4879 6.4879 6.7161 6.7161 6.8543 6.8543 6.9617 6.9617 7.1920 7.1920 7.2527 7.2527 7.3082 7.3082 7.4741 7.4741 7.6045 7.6045 7.8184 7.8184 7.9677 7.9677 8.0191 8.0191 8.0692 8.0692 8.1741 8.1741 8.2389 8.2389 8.2522 8.2522 8.3880 8.3880 8.4435 8.4435 9.5646 9.5646 9.9508 9.9508 10.3864 10.3864 12.5049 12.5049 12.8803 12.8803 14.1804 14.1804 14.8723 14.8723 16.0229 16.0229 k = 0.0000 0.2375-0.0000 ( 3482 PWs) bands (ev): -0.9754 -0.9754 1.0629 1.0629 4.6158 4.6158 5.3702 5.3702 6.0523 6.0523 6.4004 6.4004 6.4987 6.4987 6.7243 6.7243 6.8520 6.8520 6.9384 6.9384 7.1614 7.1614 7.2427 7.2427 7.2934 7.2934 7.4704 7.4704 7.6047 7.6047 7.8023 7.8023 7.9657 7.9657 8.0139 8.0139 8.0664 8.0664 8.1654 8.1654 8.2374 8.2374 8.2507 8.2507 8.3977 8.3977 8.4557 8.4557 9.6519 9.6519 9.8635 9.8635 10.3385 10.3385 12.5343 12.5343 12.8713 12.8713 14.2401 14.2401 14.9320 14.9320 16.0542 16.0542 k = 0.0000 0.2500-0.0000 ( 3490 PWs) bands (ev): -0.9253 -0.9253 1.0680 1.0680 4.6619 4.6619 5.2748 5.2748 6.0019 6.0019 6.4004 6.4004 6.5106 6.5106 6.7328 6.7328 6.8477 6.8477 6.9167 6.9167 7.1286 7.1286 7.2338 7.2338 7.2799 7.2799 7.4667 7.4667 7.6075 7.6075 7.7871 7.7871 7.9640 7.9640 8.0079 8.0079 8.0635 8.0635 8.1563 8.1563 8.2360 8.2360 8.2494 8.2494 8.4081 8.4081 8.4686 8.4686 9.7331 9.7331 9.7880 9.7880 10.2840 10.2840 12.5616 12.5616 12.8690 12.8690 14.2962 14.2962 14.9907 14.9907 15.9921 15.9921 k = 0.0000 0.2625-0.0000 ( 3486 PWs) bands (ev): -0.8730 -0.8730 1.0709 1.0709 4.7091 4.7091 5.1834 5.1834 5.9478 5.9478 6.4007 6.4007 6.5231 6.5231 6.7414 6.7414 6.8399 6.8399 6.8986 6.8986 7.0943 7.0943 7.2252 7.2252 7.2674 7.2674 7.4631 7.4631 7.6125 7.6125 7.7733 7.7733 7.9626 7.9626 8.0009 8.0009 8.0604 8.0604 8.1471 8.1471 8.2347 8.2347 8.2483 8.2483 8.4194 8.4194 8.4822 8.4822 9.6931 9.6931 9.8396 9.8396 10.2237 10.2237 12.5862 12.5862 12.8729 12.8729 14.3482 14.3482 15.0490 15.0490 15.9097 15.9097 k = 0.0000 0.2750-0.0000 ( 3480 PWs) bands (ev): -0.8185 -0.8185 1.0714 1.0714 4.7564 4.7564 5.0979 5.0979 5.8904 5.8904 6.4012 6.4012 6.5357 6.5357 6.7501 6.7501 6.8273 6.8273 6.8857 6.8857 7.0589 7.0589 7.2163 7.2163 7.2563 7.2563 7.4596 7.4596 7.6190 7.6190 7.7609 7.7609 7.9614 7.9614 7.9931 7.9931 8.0572 8.0572 8.1378 8.1378 8.2336 8.2336 8.2474 8.2474 8.4312 8.4312 8.4966 8.4966 9.6189 9.6189 9.9310 9.9310 10.1590 10.1590 12.6073 12.6073 12.8827 12.8827 14.3952 14.3952 15.1071 15.1071 15.8281 15.8281 k = 0.0000 0.2875-0.0000 ( 3480 PWs) bands (ev): -0.7620 -0.7620 1.0689 1.0689 4.8004 4.8004 5.0226 5.0226 5.8297 5.8297 6.4019 6.4019 6.5479 6.5479 6.7581 6.7581 6.8105 6.8105 6.8778 6.8778 7.0227 7.0227 7.2066 7.2066 7.2468 7.2468 7.4562 7.4562 7.6265 7.6265 7.7503 7.7503 7.9605 7.9605 7.9846 7.9846 8.0539 8.0539 8.1283 8.1283 8.2325 8.2325 8.2467 8.2467 8.4437 8.4437 8.5118 8.5118 9.5475 9.5475 10.0241 10.0241 10.0918 10.0918 12.6238 12.6238 12.8980 12.8980 14.4359 14.4359 15.1651 15.1651 15.7513 15.7513 k = 0.0000 0.3000-0.0000 ( 3484 PWs) bands (ev): -0.7034 -0.7034 1.0632 1.0632 4.8275 4.8275 4.9717 4.9717 5.7662 5.7662 6.4030 6.4030 6.5589 6.5589 6.7631 6.7631 6.7939 6.7939 6.8727 6.8727 6.9865 6.9865 7.1957 7.1957 7.2393 7.2393 7.4527 7.4527 7.6346 7.6346 7.7420 7.7420 7.9593 7.9593 7.9759 7.9759 8.0503 8.0503 8.1189 8.1189 8.2314 8.2314 8.2460 8.2460 8.4569 8.4569 8.5279 8.5279 9.4798 9.4798 10.0171 10.0171 10.1237 10.1237 12.6349 12.6349 12.9182 12.9182 14.4686 14.4686 15.2229 15.2229 15.6826 15.6826 k = 0.0000 0.3125-0.0000 ( 3488 PWs) bands (ev): -0.6429 -0.6429 1.0538 1.0538 4.8090 4.8090 4.9747 4.9747 5.7000 5.7000 6.4044 6.4044 6.5679 6.5679 6.7560 6.7560 6.7884 6.7884 6.8683 6.8683 6.9518 6.9518 7.1838 7.1838 7.2338 7.2338 7.4490 7.4490 7.6425 7.6425 7.7362 7.7362 7.9569 7.9569 7.9682 7.9682 8.0464 8.0464 8.1095 8.1095 8.2305 8.2305 8.2453 8.2453 8.4707 8.4707 8.5450 8.5450 9.4157 9.4157 9.9448 9.9448 10.2208 10.2208 12.6397 12.6397 12.9429 12.9429 14.4912 14.4912 15.2798 15.2798 15.6252 15.6252 k = 0.0000 0.3250-0.0000 ( 3480 PWs) bands (ev): -0.5805 -0.5805 1.0404 1.0404 4.7606 4.7606 5.0163 5.0163 5.6319 5.6319 6.4063 6.4063 6.5736 6.5736 6.7375 6.7375 6.7941 6.7941 6.8619 6.8619 6.9215 6.9215 7.1710 7.1710 7.2302 7.2302 7.4448 7.4448 7.6500 7.6500 7.7334 7.7334 7.9502 7.9502 7.9646 7.9646 8.0422 8.0422 8.1003 8.1003 8.2298 8.2298 8.2448 8.2448 8.4853 8.4853 8.5633 8.5633 9.3553 9.3553 9.8711 9.8711 10.3198 10.3198 12.6373 12.6373 12.9718 12.9718 14.5014 14.5014 15.3344 15.3344 15.5830 15.5830 k = 0.0000 0.3375-0.0000 ( 3488 PWs) bands (ev): -0.5164 -0.5164 1.0227 1.0227 4.7093 4.7093 5.0698 5.0698 5.5622 5.5622 6.4087 6.4087 6.5740 6.5740 6.7164 6.7164 6.8022 6.8022 6.8495 6.8495 6.9009 6.9009 7.1575 7.1575 7.2281 7.2281 7.4399 7.4399 7.6565 7.6565 7.7338 7.7338 7.9403 7.9403 7.9641 7.9641 8.0374 8.0374 8.0913 8.0913 8.2292 8.2292 8.2442 8.2442 8.5005 8.5005 8.5828 8.5828 9.2982 9.2982 9.7970 9.7970 10.4202 10.4202 12.6269 12.6269 13.0046 13.0046 14.4975 14.4975 15.3832 15.3832 15.5604 15.5604 k = 0.0000 0.3500-0.0000 ( 3488 PWs) bands (ev): -0.4508 -0.4508 1.0004 1.0004 4.6628 4.6628 5.1276 5.1276 5.4918 5.4918 6.4115 6.4115 6.5670 6.5670 6.6950 6.6950 6.8102 6.8102 6.8321 6.8321 6.8921 6.8921 7.1437 7.1437 7.2275 7.2275 7.4342 7.4342 7.6620 7.6620 7.7372 7.7372 7.9297 7.9297 7.9647 7.9647 8.0322 8.0322 8.0826 8.0826 8.2287 8.2287 8.2436 8.2436 8.5164 8.5164 8.6036 8.6036 9.2442 9.2442 9.7233 9.7233 10.5218 10.5218 12.6080 12.6080 13.0408 13.0408 14.4784 14.4784 15.4197 15.4197 15.5632 15.5632 k = 0.0000 0.3625-0.0000 ( 3490 PWs) bands (ev): -0.3836 -0.3836 0.9735 0.9735 4.6233 4.6233 5.1869 5.1869 5.4218 5.4218 6.4149 6.4149 6.5502 6.5502 6.6740 6.6740 6.8111 6.8111 6.8231 6.8231 6.8898 6.8898 7.1297 7.1297 7.2281 7.2281 7.4275 7.4275 7.6668 7.6668 7.7432 7.7432 7.9189 7.9189 7.9657 7.9657 8.0264 8.0264 8.0744 8.0744 8.2284 8.2284 8.2430 8.2430 8.5330 8.5330 8.6257 8.6257 9.1932 9.1932 9.6506 9.6506 10.6244 10.6244 12.5801 12.5801 13.0804 13.0804 14.4448 14.4448 15.4391 15.4391 15.5516 15.5516 k = 0.0000 0.3750-0.0000 ( 3482 PWs) bands (ev): -0.3151 -0.3151 0.9418 0.9418 4.5917 4.5917 5.2425 5.2425 5.3573 5.3573 6.4187 6.4187 6.5225 6.5225 6.6538 6.6538 6.8025 6.8025 6.8290 6.8290 6.8908 6.8908 7.1156 7.1156 7.2300 7.2300 7.4198 7.4198 7.6715 7.6715 7.7507 7.7507 7.9085 7.9085 7.9670 7.9670 8.0200 8.0200 8.0667 8.0667 8.2283 8.2283 8.2424 8.2424 8.5504 8.5504 8.6494 8.6494 9.1450 9.1450 9.5792 9.5792 10.7280 10.7280 12.5430 12.5430 13.1231 13.1231 14.3986 14.3986 15.4470 15.4470 15.5554 15.5554 k = 0.0000 0.3875-0.0000 ( 3486 PWs) bands (ev): -0.2454 -0.2454 0.9053 0.9053 4.5684 4.5684 5.2505 5.2505 5.3421 5.3421 6.4229 6.4229 6.4849 6.4849 6.6342 6.6342 6.7986 6.7986 6.8356 6.8356 6.8939 6.8939 7.1014 7.1014 7.2331 7.2331 7.4111 7.4111 7.6764 7.6764 7.7589 7.7589 7.8987 7.8987 7.9684 7.9684 8.0132 8.0132 8.0594 8.0594 8.2283 8.2283 8.2417 8.2417 8.5687 8.5687 8.6747 8.6747 9.0993 9.0993 9.5096 9.5096 10.8323 10.8323 12.4968 12.4968 13.1688 13.1688 14.3423 14.3423 15.4534 15.4534 15.5779 15.5779 k = 0.0000 0.4000-0.0000 ( 3496 PWs) bands (ev): -0.1748 -0.1748 0.8641 0.8641 4.5535 4.5535 5.1917 5.1917 5.3957 5.3957 6.4247 6.4247 6.4424 6.4424 6.6155 6.6155 6.7993 6.7993 6.8412 6.8412 6.8988 6.8988 7.0871 7.0871 7.2373 7.2373 7.4014 7.4014 7.6818 7.6818 7.7668 7.7668 7.8901 7.8901 7.9695 7.9695 8.0063 8.0063 8.0525 8.0525 8.2284 8.2284 8.2409 8.2409 8.5878 8.5878 8.7017 8.7017 9.0560 9.0560 9.4421 9.4421 10.9373 10.9373 12.4419 12.4419 13.2174 13.2174 14.2785 14.2785 15.4655 15.4655 15.6128 15.6128 k = 0.0000 0.4125-0.0000 ( 3494 PWs) bands (ev): -0.1033 -0.1033 0.8184 0.8184 4.5469 4.5469 5.1243 5.1243 5.4602 5.4602 6.3849 6.3849 6.4361 6.4361 6.5976 6.5976 6.8031 6.8031 6.8454 6.8454 6.9053 6.9053 7.0730 7.0730 7.2428 7.2428 7.3911 7.3911 7.6880 7.6880 7.7734 7.7734 7.8835 7.8835 7.9698 7.9698 7.9999 7.9999 8.0461 8.0461 8.2287 8.2287 8.2401 8.2401 8.6078 8.6078 8.7304 8.7304 9.0149 9.0149 9.3768 9.3768 11.0427 11.0427 12.3788 12.3788 13.2688 13.2688 14.2098 14.2098 15.4860 15.4860 15.6556 15.6556 k = 0.0000 0.4250-0.0000 ( 3490 PWs) bands (ev): -0.0313 -0.0313 0.7684 0.7684 4.5486 4.5486 5.0568 5.0568 5.5272 5.5272 6.3291 6.3291 6.4420 6.4420 6.5806 6.5806 6.8086 6.8086 6.8483 6.8483 6.9133 6.9133 7.0590 7.0590 7.2493 7.2493 7.3800 7.3800 7.6948 7.6948 7.7776 7.7776 7.8797 7.8797 7.9681 7.9681 7.9955 7.9955 8.0401 8.0401 8.2292 8.2292 8.2393 8.2393 8.6288 8.6288 8.7611 8.7611 8.9760 8.9760 9.3140 9.3140 11.1483 11.1483 12.3081 12.3081 13.3229 13.3229 14.1378 14.1378 15.5154 15.5154 15.7026 15.7026 k = 0.0000 0.4375-0.0000 ( 3482 PWs) bands (ev): 0.0411 0.0411 0.7144 0.7144 4.5581 4.5581 4.9910 4.9910 5.5954 5.5954 6.2695 6.2695 6.4492 6.4492 6.5645 6.5645 6.8149 6.8149 6.8499 6.8499 6.9226 6.9226 7.0452 7.0452 7.2569 7.2569 7.3684 7.3684 7.7024 7.7024 7.7786 7.7786 7.8793 7.8793 7.9633 7.9633 7.9939 7.9939 8.0344 8.0344 8.2297 8.2297 8.2385 8.2385 8.6507 8.6507 8.7937 8.7937 8.9391 8.9391 9.2537 9.2537 11.2540 11.2540 12.2308 12.2308 13.3797 13.3797 14.0641 14.0641 15.5530 15.5530 15.7506 15.7506 k = 0.0000 0.4500-0.0000 ( 3488 PWs) bands (ev): 0.1136 0.1136 0.6568 0.6568 4.5751 4.5751 4.9276 4.9276 5.6643 5.6643 6.2072 6.2072 6.4570 6.4570 6.5492 6.5492 6.8214 6.8214 6.8503 6.8503 6.9327 6.9327 7.0315 7.0315 7.2654 7.2654 7.3564 7.3564 7.7104 7.7104 7.7762 7.7762 7.8826 7.8826 7.9557 7.9557 7.9949 7.9949 8.0288 8.0288 8.2304 8.2304 8.2375 8.2375 8.6737 8.6737 8.8281 8.8281 8.9042 8.9042 9.1961 9.1961 11.3595 11.3595 12.1476 12.1476 13.4390 13.4390 13.9898 13.9898 15.5976 15.5976 15.7950 15.7950 k = 0.0000 0.4625-0.0000 ( 3480 PWs) bands (ev): 0.1858 0.1858 0.5959 0.5959 4.5993 4.5993 4.8672 4.8672 5.7336 5.7336 6.1428 6.1428 6.4658 6.4658 6.5349 6.5349 6.8276 6.8276 6.8498 6.8498 6.9436 6.9436 7.0181 7.0181 7.2749 7.2749 7.3442 7.3442 7.7190 7.7190 7.7710 7.7710 7.8887 7.8887 7.9467 7.9467 7.9974 7.9974 8.0235 8.0235 8.2311 8.2311 8.2366 8.2366 8.6978 8.6978 8.8584 8.8584 8.8773 8.8773 9.1412 9.1412 11.4644 11.4644 12.0594 12.0594 13.5008 13.5008 13.9157 13.9157 15.6472 15.6472 15.8281 15.8281 k = 0.0000 0.4750-0.0000 ( 3476 PWs) bands (ev): 0.2576 0.2576 0.5323 0.5323 4.6302 4.6302 4.8105 4.8105 5.8031 5.8031 6.0768 6.0768 6.4752 6.4752 6.5213 6.5213 6.8333 6.8333 6.8483 6.8483 6.9550 6.9550 7.0049 7.0049 7.2854 7.2854 7.3320 7.3320 7.7281 7.7281 7.7639 7.7639 7.8969 7.8969 7.9368 7.9368 8.0007 8.0007 8.0184 8.0184 8.2319 8.2319 8.2356 8.2356 8.7231 8.7231 8.8362 8.8362 8.9071 8.9071 9.0890 9.0890 11.5685 11.5685 11.9670 11.9670 13.5650 13.5650 13.8424 13.8424 15.6993 15.6993 15.8398 15.8398 k = 0.0000 0.4875-0.0000 ( 3468 PWs) bands (ev): 0.3285 0.3285 0.4662 0.4662 4.6672 4.6672 4.7579 4.7579 5.8723 5.8723 6.0095 6.0095 6.4855 6.4855 6.5086 6.5086 6.8384 6.8384 6.8459 6.8459 6.9669 6.9669 6.9919 6.9919 7.2964 7.2964 7.3199 7.3199 7.7373 7.7373 7.7555 7.7555 7.9063 7.9063 7.9267 7.9267 8.0047 8.0047 8.0136 8.0136 8.2328 8.2328 8.2347 8.2347 8.7496 8.7496 8.8062 8.8062 8.9484 8.9484 9.0395 9.0395 11.6712 11.6712 11.8710 11.8710 13.6314 13.6314 13.7703 13.7703 15.7503 15.7503 15.8272 15.8272 k = 0.0000 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.3981 0.3981 0.3981 0.3981 4.7100 4.7100 4.7100 4.7100 5.9412 5.9412 5.9412 5.9412 6.4967 6.4967 6.4967 6.4967 6.8426 6.8426 6.8426 6.8426 6.9793 6.9793 6.9793 6.9793 7.3080 7.3080 7.3080 7.3080 7.7466 7.7466 7.7466 7.7466 7.9164 7.9164 7.9164 7.9164 8.0091 8.0091 8.0091 8.0091 8.2338 8.2338 8.2338 8.2338 8.7773 8.7773 8.7773 8.7773 8.9926 8.9926 8.9926 8.9926 11.7723 11.7723 11.7723 11.7723 13.6999 13.6999 13.6999 13.6999 15.7951 15.7951 15.7951 15.7951 k = 0.0000 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.3981 0.3981 0.3981 0.3981 4.7100 4.7100 4.7100 4.7100 5.9412 5.9412 5.9412 5.9412 6.4967 6.4967 6.4967 6.4967 6.8426 6.8426 6.8426 6.8426 6.9793 6.9793 6.9793 6.9793 7.3080 7.3080 7.3080 7.3080 7.7466 7.7466 7.7466 7.7466 7.9164 7.9164 7.9164 7.9164 8.0091 8.0091 8.0091 8.0091 8.2338 8.2338 8.2338 8.2338 8.7773 8.7773 8.7773 8.7773 8.9926 8.9926 8.9926 8.9926 11.7723 11.7723 11.7723 11.7723 13.6999 13.6999 13.6999 13.6999 15.7951 15.7951 15.7951 15.7951 k = 0.0125 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.3990 0.3990 0.3991 0.3991 4.7102 4.7102 4.7106 4.7106 5.9407 5.9407 5.9428 5.9428 6.4968 6.4968 6.4972 6.4972 6.8393 6.8393 6.8453 6.8453 6.9794 6.9794 6.9802 6.9802 7.3067 7.3067 7.3091 7.3091 7.7442 7.7442 7.7477 7.7477 7.9148 7.9148 7.9178 7.9178 8.0076 8.0076 8.0113 8.0113 8.2313 8.2313 8.2358 8.2358 8.7765 8.7765 8.7776 8.7776 8.9917 8.9917 8.9927 8.9927 11.7497 11.7497 11.7532 11.7532 13.7240 13.7240 13.7250 13.7250 15.6845 15.6845 15.8043 15.8043 k = 0.0250 0.5000-0.0000 ( 3478 PWs) bands (ev): 0.4018 0.4018 0.4020 0.4020 4.7114 4.7114 4.7121 4.7121 5.9413 5.9413 5.9455 5.9455 6.4979 6.4979 6.4987 6.4987 6.8358 6.8358 6.8477 6.8477 6.9808 6.9808 6.9824 6.9824 7.3053 7.3053 7.3102 7.3102 7.7406 7.7406 7.7478 7.7478 7.9132 7.9132 7.9189 7.9189 8.0070 8.0070 8.0141 8.0141 8.2286 8.2286 8.2376 8.2376 8.7753 8.7753 8.7775 8.7775 8.9901 8.9901 8.9920 8.9920 11.6888 11.6888 11.6953 11.6953 13.7943 13.7943 13.7958 13.7958 15.5399 15.5399 15.6805 15.6805 k = 0.0375 0.5000-0.0000 ( 3476 PWs) bands (ev): 0.4065 0.4065 0.4068 0.4068 4.7134 4.7134 4.7145 4.7145 5.9430 5.9430 5.9493 5.9493 6.4999 6.4999 6.5010 6.5010 6.8321 6.8321 6.8498 6.8498 6.9835 6.9835 6.9856 6.9856 7.3040 7.3040 7.3113 7.3113 7.7361 7.7361 7.7466 7.7466 7.9115 7.9115 7.9197 7.9197 8.0073 8.0073 8.0177 8.0177 8.2256 8.2256 8.2391 8.2391 8.7736 8.7736 8.7770 8.7770 8.9877 8.9877 8.9906 8.9906 11.5968 11.5968 11.6061 11.6061 13.9033 13.9033 13.9047 13.9047 15.3789 15.3789 15.5142 15.5142 k = 0.0500 0.5000-0.0000 ( 3468 PWs) bands (ev): 0.4131 0.4131 0.4135 0.4135 4.7162 4.7162 4.7177 4.7177 5.9456 5.9456 5.9541 5.9541 6.5028 6.5028 6.5044 6.5044 6.8284 6.8284 6.8516 6.8516 6.9874 6.9874 6.9899 6.9899 7.3026 7.3026 7.3123 7.3123 7.7306 7.7306 7.7445 7.7445 7.9096 7.9096 7.9201 7.9201 8.0085 8.0085 8.0217 8.0217 8.2224 8.2224 8.2403 8.2403 8.7716 8.7716 8.7760 8.7760 8.9845 8.9845 8.9884 8.9884 11.4825 11.4825 11.4941 11.4941 14.0419 14.0419 14.0421 14.0421 15.2096 15.2096 15.3352 15.3352 k = 0.0625 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.4216 0.4216 0.4220 0.4220 4.7198 4.7198 4.7216 4.7216 5.9492 5.9492 5.9600 5.9600 6.5066 6.5066 6.5087 6.5087 6.8246 6.8246 6.8530 6.8530 6.9925 6.9925 6.9952 6.9952 7.3012 7.3012 7.3133 7.3133 7.7243 7.7243 7.7414 7.7414 7.9075 7.9075 7.9199 7.9199 8.0105 8.0105 8.0263 8.0263 8.2190 8.2190 8.2413 8.2413 8.7690 8.7690 8.7745 8.7745 8.9806 8.9806 8.9855 8.9855 11.3531 11.3531 11.3667 11.3667 14.1981 14.1981 14.2013 14.2013 15.0386 15.0386 15.1523 15.1523 k = 0.0750 0.5000-0.0000 ( 3462 PWs) bands (ev): 0.4319 0.4319 0.4324 0.4324 4.7241 4.7241 4.7263 4.7263 5.9537 5.9537 5.9667 5.9667 6.5112 6.5112 6.5139 6.5139 6.8208 6.8208 6.8543 6.8543 6.9987 6.9987 7.0014 7.0014 7.2997 7.2997 7.3140 7.3140 7.7172 7.7172 7.7373 7.7373 7.9051 7.9051 7.9189 7.9189 8.0131 8.0131 8.0310 8.0310 8.2155 8.2155 8.2421 8.2421 8.7660 8.7660 8.7724 8.7724 8.9758 8.9758 8.9819 8.9819 11.2144 11.2144 11.2298 11.2298 14.3575 14.3575 14.3712 14.3712 14.8780 14.8780 14.9730 14.9730 k = 0.0875 0.5000-0.0000 ( 3466 PWs) bands (ev): 0.4439 0.4439 0.4446 0.4446 4.7290 4.7290 4.7315 4.7315 5.9590 5.9590 5.9744 5.9744 6.5169 6.5169 6.5202 6.5202 6.8172 6.8172 6.8555 6.8555 7.0060 7.0060 7.0083 7.0083 7.2982 7.2982 7.3147 7.3147 7.7094 7.7094 7.7325 7.7325 7.9025 7.9025 7.9172 7.9172 8.0163 8.0163 8.0358 8.0358 8.2121 8.2121 8.2429 8.2429 8.7624 8.7624 8.7697 8.7697 8.9703 8.9703 8.9777 8.9777 11.0705 11.0705 11.0876 11.0876 14.4618 14.4618 14.5207 14.5207 14.7841 14.7841 14.8253 14.8253 k = 0.1000 0.5000-0.0000 ( 3474 PWs) bands (ev): 0.4578 0.4578 0.4586 0.4586 4.7344 4.7344 4.7372 4.7372 5.9650 5.9650 5.9827 5.9827 6.5235 6.5235 6.5275 6.5275 6.8139 6.8139 6.8568 6.8568 7.0141 7.0141 7.0161 7.0161 7.2966 7.2966 7.3151 7.3151 7.7012 7.7012 7.7270 7.7270 7.8995 7.8995 7.9146 7.9146 8.0198 8.0198 8.0407 8.0407 8.2088 8.2088 8.2436 8.2436 8.7583 8.7583 8.7663 8.7663 8.9640 8.9640 8.9727 8.9727 10.9243 10.9243 10.9430 10.9430 14.3894 14.3894 14.5016 14.5016 14.8542 14.8542 14.8766 14.8766 k = 0.1125 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.4734 0.4734 0.4743 0.4743 4.7402 4.7402 4.7434 4.7434 5.9716 5.9716 5.9918 5.9918 6.5313 6.5313 6.5360 6.5360 6.8110 6.8110 6.8582 6.8582 7.0232 7.0232 7.0245 7.0245 7.2951 7.2951 7.3154 7.3154 7.6926 7.6926 7.7210 7.7210 7.8960 7.8960 7.9111 7.9111 8.0233 8.0233 8.0454 8.0454 8.2059 8.2059 8.2444 8.2444 8.7536 8.7536 8.7622 8.7622 8.9570 8.9570 8.9671 8.9671 10.7780 10.7780 10.7983 10.7983 14.2312 14.2312 14.3428 14.3428 15.0249 15.0249 15.0636 15.0636 k = 0.1250 0.5000-0.0000 ( 3478 PWs) bands (ev): 0.4908 0.4908 0.4917 0.4917 4.7462 4.7462 4.7497 4.7497 5.9788 5.9788 6.0014 6.0014 6.5401 6.5401 6.5457 6.5457 6.8086 6.8086 6.8600 6.8600 7.0332 7.0332 7.0338 7.0338 7.2935 7.2935 7.3156 7.3156 7.6836 7.6836 7.7145 7.7145 7.8921 7.8921 7.9067 7.9067 8.0268 8.0268 8.0500 8.0500 8.2035 8.2035 8.2455 8.2455 8.7483 8.7483 8.7574 8.7574 8.9493 8.9493 8.9610 8.9610 10.6331 10.6331 10.6550 10.6550 14.0564 14.0564 14.1630 14.1630 15.1982 15.1982 15.2746 15.2746 k = 0.1375 0.5000-0.0000 ( 3478 PWs) bands (ev): 0.5097 0.5097 0.5107 0.5107 4.7523 4.7523 4.7562 4.7562 5.9864 5.9864 6.0115 6.0115 6.5502 6.5502 6.5566 6.5566 6.8068 6.8068 6.8621 6.8621 7.0439 7.0439 7.0440 7.0440 7.2918 7.2918 7.3154 7.3154 7.6744 7.6744 7.7075 7.7075 7.8876 7.8876 7.9013 7.9013 8.0299 8.0299 8.0541 8.0541 8.2019 8.2019 8.2468 8.2468 8.7423 8.7423 8.7518 8.7518 8.9408 8.9408 8.9543 8.9543 10.4908 10.4908 10.5142 10.5142 13.8779 13.8779 13.9802 13.9802 15.2714 15.2714 15.4731 15.4731 k = 0.1500 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.5302 0.5302 0.5313 0.5313 4.7583 4.7583 4.7625 4.7625 5.9943 5.9943 6.0218 6.0218 6.5615 6.5615 6.5688 6.5688 6.8056 6.8056 6.8646 6.8646 7.0546 7.0546 7.0557 7.0557 7.2902 7.2902 7.3151 7.3151 7.6650 7.6650 7.7002 7.7002 7.8825 7.8825 7.8949 7.8949 8.0326 8.0326 8.0580 8.0580 8.2011 8.2011 8.2486 8.2486 8.7355 8.7355 8.7452 8.7452 8.9317 8.9317 8.9471 8.9471 10.3521 10.3521 10.3771 10.3771 13.6991 13.6991 13.7978 13.7978 15.2042 15.2042 15.3502 15.3502 k = 0.1625 0.5000-0.0000 ( 3476 PWs) bands (ev): 0.5523 0.5523 0.5534 0.5534 4.7641 4.7641 4.7686 4.7686 6.0025 6.0025 6.0323 6.0323 6.5741 6.5741 6.5822 6.5822 6.8051 6.8051 6.8676 6.8676 7.0661 7.0661 7.0681 7.0681 7.2885 7.2885 7.3146 7.3146 7.6555 7.6555 7.6926 7.6926 7.8767 7.8767 7.8873 7.8873 8.0346 8.0346 8.0612 8.0612 8.2013 8.2013 8.2507 8.2507 8.7280 8.7280 8.7375 8.7375 8.9218 8.9218 8.9394 8.9394 10.2177 10.2177 10.2442 10.2442 13.5216 13.5216 13.6171 13.6171 15.0930 15.0930 15.2140 15.2140 k = 0.1750 0.5000-0.0000 ( 3476 PWs) bands (ev): 0.5758 0.5758 0.5770 0.5770 4.7694 4.7694 4.7743 4.7743 6.0108 6.0108 6.0428 6.0428 6.5879 6.5879 6.5969 6.5969 6.8055 6.8055 6.8712 6.8712 7.0784 7.0784 7.0813 7.0813 7.2869 7.2869 7.3137 7.3137 7.6459 7.6459 7.6847 7.6847 7.8702 7.8702 7.8786 7.8786 8.0359 8.0359 8.0639 8.0639 8.2026 8.2026 8.2534 8.2534 8.7195 8.7195 8.7288 8.7288 8.9114 8.9114 8.9313 8.9313 10.0882 10.0882 10.1162 10.1162 13.3461 13.3461 13.4390 13.4390 14.9710 14.9710 15.0779 15.0779 k = 0.1875 0.5000-0.0000 ( 3472 PWs) bands (ev): 0.6006 0.6006 0.6019 0.6019 4.7741 4.7741 4.7792 4.7792 6.0192 6.0192 6.0533 6.0533 6.6028 6.6028 6.6127 6.6127 6.8070 6.8070 6.8754 6.8754 7.0915 7.0915 7.0953 7.0953 7.2853 7.2853 7.3125 7.3125 7.6362 7.6362 7.6765 7.6765 7.8631 7.8631 7.8689 7.8689 8.0367 8.0367 8.0660 8.0660 8.2050 8.2050 8.2566 8.2566 8.7102 8.7102 8.7190 8.7190 8.9003 8.9003 8.9227 8.9227 9.9640 9.9640 9.9935 9.9935 13.1732 13.1732 13.2637 13.2637 14.8459 14.8459 14.9432 14.9432 k = 0.2000 0.5000-0.0000 ( 3474 PWs) bands (ev): 0.6267 0.6267 0.6281 0.6281 4.7780 4.7780 4.7833 4.7833 6.0278 6.0278 6.0636 6.0636 6.6187 6.6187 6.6294 6.6294 6.8095 6.8095 6.8804 6.8804 7.1055 7.1055 7.1101 7.1101 7.2838 7.2838 7.3112 7.3112 7.6266 7.6266 7.6680 7.6680 7.8552 7.8552 7.8581 7.8581 8.0369 8.0369 8.0675 8.0675 8.2083 8.2083 8.2603 8.2603 8.6999 8.6999 8.7079 8.7079 8.8886 8.8886 8.9138 8.9138 9.8457 9.8457 9.8764 9.8764 13.0032 13.0032 13.0916 13.0916 14.7206 14.7206 14.8103 14.8103 k = 0.2125 0.5000-0.0000 ( 3478 PWs) bands (ev): 0.6540 0.6540 0.6554 0.6554 4.7808 4.7808 4.7863 4.7863 6.0363 6.0363 6.0737 6.0737 6.6353 6.6353 6.6470 6.6470 6.8136 6.8136 6.8862 6.8862 7.1203 7.1203 7.1257 7.1257 7.2827 7.2827 7.3096 7.3096 7.6171 7.6171 7.6593 7.6593 7.8463 7.8463 7.8465 7.8465 8.0366 8.0366 8.0684 8.0684 8.2124 8.2124 8.2644 8.2644 8.6887 8.6887 8.6956 8.6956 8.8763 8.8763 8.9043 8.9043 9.7334 9.7334 9.7653 9.7653 12.8365 12.8365 12.9231 12.9231 14.5964 14.5964 14.6798 14.6798 k = 0.2250 0.5000-0.0000 ( 3484 PWs) bands (ev): 0.6823 0.6823 0.6838 0.6838 4.7823 4.7823 4.7880 4.7880 6.0450 6.0450 6.0835 6.0835 6.6522 6.6522 6.6649 6.6649 6.8195 6.8195 6.8931 6.8931 7.1360 7.1360 7.1418 7.1418 7.2819 7.2819 7.3078 7.3078 7.6078 7.6078 7.6503 7.6503 7.8338 7.8338 7.8373 7.8373 8.0360 8.0360 8.0689 8.0689 8.2172 8.2172 8.2689 8.2689 8.6764 8.6764 8.6822 8.6822 8.8635 8.8635 8.8944 8.8944 9.6274 9.6274 9.6604 9.6604 12.6734 12.6734 12.7584 12.7584 14.4742 14.4742 14.5523 14.5523 k = 0.2375 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.7116 0.7116 0.7130 0.7130 4.7824 4.7824 4.7882 4.7882 6.0537 6.0537 6.0931 6.0931 6.6686 6.6686 6.6828 6.6828 6.8279 6.8279 6.9015 6.9015 7.1528 7.1528 7.1586 7.1586 7.2818 7.2818 7.3058 7.3058 7.5987 7.5987 7.6411 7.6411 7.8208 7.8208 7.8274 7.8274 8.0353 8.0353 8.0689 8.0689 8.2227 8.2227 8.2737 8.2737 8.6632 8.6632 8.6676 8.6676 8.8500 8.8500 8.8840 8.8840 9.5280 9.5280 9.5617 9.5617 12.5141 12.5141 12.5977 12.5977 14.3549 14.3549 14.4281 14.4281 k = 0.2500 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.7416 0.7416 0.7431 0.7431 4.7809 4.7809 4.7868 4.7868 6.0626 6.0626 6.1023 6.1023 6.6836 6.6836 6.6999 6.6999 6.8396 6.8396 6.9117 6.9117 7.1705 7.1705 7.1756 7.1756 7.2826 7.2826 7.3038 7.3038 7.5899 7.5899 7.6316 7.6316 7.8075 7.8075 7.8169 7.8169 8.0346 8.0346 8.0687 8.0687 8.2283 8.2283 8.2787 8.2787 8.6491 8.6491 8.6520 8.6520 8.8359 8.8359 8.8729 8.8729 9.4352 9.4352 9.4692 9.4692 12.3591 12.3591 12.4412 12.4412 14.2387 14.2387 14.3076 14.3076 k = 0.2625 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.7723 0.7723 0.7738 0.7738 4.7777 4.7777 4.7836 4.7836 6.0716 6.0716 6.1113 6.1113 6.6963 6.6963 6.7155 6.7155 6.8551 6.8551 6.9243 6.9243 7.1891 7.1891 7.1923 7.1923 7.2850 7.2850 7.3017 7.3017 7.5814 7.5814 7.6221 7.6221 7.7943 7.7943 7.8060 7.8060 8.0340 8.0340 8.0682 8.0682 8.2343 8.2343 8.2838 8.2838 8.6340 8.6340 8.6354 8.6354 8.8212 8.8212 8.8610 8.8610 9.3489 9.3489 9.3829 9.3829 12.2085 12.2085 12.2893 12.2893 14.1263 14.1263 14.1911 14.1911 k = 0.2750 0.5000-0.0000 ( 3486 PWs) bands (ev): 0.8035 0.8035 0.8050 0.8050 4.7727 4.7727 4.7785 4.7785 6.0808 6.0808 6.1202 6.1202 6.7061 6.7061 6.7286 6.7286 6.8751 6.8751 6.9398 6.9398 7.2081 7.2081 7.2085 7.2085 7.2895 7.2895 7.2999 7.2999 7.5734 7.5734 7.6125 7.6125 7.7814 7.7814 7.7948 7.7948 8.0335 8.0335 8.0675 8.0675 8.2404 8.2404 8.2888 8.2888 8.6181 8.6181 8.6182 8.6182 8.8058 8.8058 8.8482 8.8482 9.2692 9.2692 9.3026 9.3026 12.0626 12.0626 12.1422 12.1422 14.0179 14.0179 14.0788 14.0788 k = 0.2875 0.5000-0.0000 ( 3482 PWs) bands (ev): 0.8349 0.8349 0.8365 0.8365 4.7658 4.7658 4.7715 4.7715 6.0903 6.0903 6.1289 6.1289 6.7126 6.7126 6.7387 6.7387 6.8994 6.8994 6.9589 6.9589 7.2219 7.2219 7.2284 7.2284 7.2972 7.2972 7.2985 7.2985 7.5661 7.5661 7.6031 7.6031 7.7692 7.7692 7.7835 7.7835 8.0333 8.0333 8.0668 8.0668 8.2464 8.2464 8.2937 8.2937 8.6003 8.6003 8.6017 8.6017 8.7896 8.7896 8.8342 8.8342 9.1960 9.1960 9.2281 9.2281 11.9219 11.9219 12.0001 12.0001 13.9139 13.9139 13.9712 13.9712 k = 0.3000 0.5000-0.0000 ( 3486 PWs) bands (ev): 0.8665 0.8665 0.8681 0.8681 4.7571 4.7571 4.7626 4.7626 6.1000 6.1000 6.1376 6.1376 6.7159 6.7159 6.7451 6.7451 6.9278 6.9278 6.9814 6.9814 7.2330 7.2330 7.2482 7.2482 7.2982 7.2982 7.3084 7.3084 7.5596 7.5596 7.5941 7.5941 7.7579 7.7579 7.7722 7.7722 8.0335 8.0335 8.0659 8.0659 8.2521 8.2521 8.2983 8.2983 8.5820 8.5820 8.5845 8.5845 8.7726 8.7726 8.8189 8.8189 9.1290 9.1290 9.1592 9.1592 11.7865 11.7865 11.8633 11.8633 13.8146 13.8146 13.8683 13.8683 k = 0.3125 0.5000-0.0000 ( 3498 PWs) bands (ev): 0.8981 0.8981 0.8996 0.8996 4.7465 4.7465 4.7519 4.7519 6.1100 6.1100 6.1462 6.1462 6.7165 6.7165 6.7480 6.7480 6.9596 6.9596 7.0075 7.0075 7.2417 7.2417 7.2659 7.2659 7.3008 7.3008 7.3228 7.3228 7.5541 7.5541 7.5860 7.5860 7.7478 7.7478 7.7610 7.7610 8.0340 8.0340 8.0650 8.0650 8.2575 8.2575 8.3022 8.3022 8.5637 8.5637 8.5669 8.5669 8.7546 8.7546 8.8021 8.8021 9.0681 9.0681 9.0956 9.0956 11.6568 11.6568 11.7321 11.7321 13.7202 13.7202 13.7704 13.7704 k = 0.3250 0.5000-0.0000 ( 3494 PWs) bands (ev): 0.9293 0.9293 0.9308 0.9308 4.7344 4.7344 4.7395 4.7395 6.1204 6.1204 6.1549 6.1549 6.7147 6.7147 6.7474 6.7474 6.9942 6.9942 7.0366 7.0366 7.2488 7.2488 7.2772 7.2772 7.3107 7.3107 7.3392 7.3392 7.5500 7.5500 7.5792 7.5792 7.7389 7.7389 7.7503 7.7503 8.0350 8.0350 8.0641 8.0641 8.2624 8.2624 8.3056 8.3056 8.5456 8.5456 8.5489 8.5489 8.7358 8.7358 8.7837 8.7837 9.0129 9.0129 9.0371 9.0371 11.5332 11.5332 11.6069 11.6069 13.6310 13.6310 13.6778 13.6778 k = 0.3375 0.5000-0.0000 ( 3494 PWs) bands (ev): 0.9600 0.9600 0.9615 0.9615 4.7207 4.7207 4.7255 4.7255 6.1310 6.1310 6.1637 6.1637 6.7108 6.7108 6.7438 6.7438 7.0310 7.0310 7.0681 7.0681 7.2554 7.2554 7.2813 7.2813 7.3278 7.3278 7.3559 7.3559 7.5476 7.5476 7.5742 7.5742 7.7315 7.7315 7.7400 7.7400 8.0367 8.0367 8.0632 8.0632 8.2669 8.2669 8.3082 8.3082 8.5279 8.5279 8.5307 8.5307 8.7160 8.7160 8.7635 8.7635 8.9632 8.9632 8.9833 8.9833 11.4162 11.4162 11.4879 11.4879 13.5471 13.5471 13.5906 13.5906 k = 0.3500 0.5000-0.0000 ( 3490 PWs) bands (ev): 0.9899 0.9899 0.9914 0.9914 4.7058 4.7058 4.7104 4.7104 6.1419 6.1419 6.1726 6.1726 6.7053 6.7053 6.7376 6.7376 7.0695 7.0695 7.1012 7.1012 7.2622 7.2622 7.2827 7.2827 7.3474 7.3474 7.3713 7.3713 7.5472 7.5472 7.5715 7.5715 7.7257 7.7257 7.7303 7.7303 8.0391 8.0391 8.0622 8.0622 8.2707 8.2707 8.3098 8.3098 8.5111 8.5111 8.5123 8.5123 8.6954 8.6954 8.7418 8.7418 8.9184 8.9184 8.9340 8.9340 11.3060 11.3060 11.3755 11.3755 13.4688 13.4688 13.5090 13.5090 k = 0.3625 0.5000-0.0000 ( 3490 PWs) bands (ev): 1.0189 1.0189 1.0202 1.0202 4.6901 4.6901 4.6943 4.6943 6.1529 6.1529 6.1814 6.1814 6.6983 6.6983 6.7293 6.7293 7.1090 7.1090 7.1348 7.1348 7.2703 7.2703 7.2835 7.2835 7.3666 7.3666 7.3843 7.3843 7.5495 7.5495 7.5715 7.5715 7.7214 7.7214 7.7215 7.7215 8.0423 8.0423 8.0610 8.0610 8.2738 8.2738 8.3102 8.3102 8.4940 8.4940 8.4953 8.4953 8.6741 8.6741 8.7189 8.7189 8.8778 8.8778 8.8888 8.8888 11.2032 11.2032 11.2700 11.2700 13.3963 13.3963 13.4332 13.4332 k = 0.3750 0.5000-0.0000 ( 3492 PWs) bands (ev): 1.0465 1.0465 1.0478 1.0478 4.6737 4.6737 4.6776 4.6776 6.1640 6.1640 6.1902 6.1902 6.6904 6.6904 6.7195 6.7195 7.1489 7.1489 7.1674 7.1674 7.2808 7.2808 7.2843 7.2843 7.3842 7.3842 7.3942 7.3942 7.5547 7.5547 7.5741 7.5741 7.7135 7.7135 7.7188 7.7188 8.0464 8.0464 8.0596 8.0596 8.2762 8.2762 8.3093 8.3093 8.4758 8.4758 8.4810 8.4810 8.6524 8.6524 8.6955 8.6955 8.8406 8.8406 8.8477 8.8477 11.1081 11.1081 11.1717 11.1717 13.3297 13.3297 13.3633 13.3633 k = 0.3875 0.5000-0.0000 ( 3492 PWs) bands (ev): 1.0726 1.0726 1.0738 1.0738 4.6573 4.6573 4.6608 4.6608 6.1751 6.1751 6.1989 6.1989 6.6818 6.6818 6.7086 6.7086 7.1883 7.1883 7.1968 7.1968 7.2855 7.2855 7.2954 7.2954 7.3994 7.3994 7.4009 7.4009 7.5629 7.5629 7.5786 7.5786 7.7068 7.7068 7.7178 7.7178 8.0514 8.0514 8.0579 8.0579 8.2777 8.2777 8.3071 8.3071 8.4582 8.4582 8.4685 8.4685 8.6306 8.6306 8.6720 8.6720 8.8061 8.8061 8.8102 8.8102 11.0212 11.0212 11.0811 11.0811 13.2692 13.2692 13.2995 13.2995 k = 0.4000 0.5000-0.0000 ( 3492 PWs) bands (ev): 1.0969 1.0969 1.0980 1.0980 4.6410 4.6410 4.6442 4.6442 6.1859 6.1859 6.2073 6.2073 6.6728 6.6728 6.6971 6.6971 7.2205 7.2205 7.2259 7.2259 7.2877 7.2877 7.3158 7.3158 7.4049 7.4049 7.4125 7.4125 7.5736 7.5736 7.5843 7.5843 7.7014 7.7014 7.7182 7.7182 8.0558 8.0558 8.0571 8.0571 8.2787 8.2787 8.3038 8.3038 8.4414 8.4414 8.4580 8.4580 8.6089 8.6089 8.6490 8.6490 8.7738 8.7738 8.7763 8.7763 10.9428 10.9428 10.9985 10.9985 13.2149 13.2149 13.2418 13.2418 k = 0.4125 0.5000-0.0000 ( 3492 PWs) bands (ev): 1.1191 1.1191 1.1201 1.1201 4.6254 4.6254 4.6282 4.6282 6.1964 6.1964 6.2153 6.2153 6.6639 6.6639 6.6854 6.6854 7.2377 7.2377 7.2584 7.2584 7.2928 7.2928 7.3419 7.3419 7.4074 7.4074 7.4244 7.4244 7.5855 7.5855 7.5898 7.5898 7.6975 7.6975 7.7192 7.7192 8.0533 8.0533 8.0632 8.0632 8.2794 8.2794 8.2999 8.2999 8.4261 8.4261 8.4496 8.4496 8.5877 8.5877 8.6267 8.6267 8.7432 8.7432 8.7459 8.7459 10.8734 10.8734 10.9241 10.9241 13.1669 13.1669 13.1905 13.1905 k = 0.4250 0.5000-0.0000 ( 3500 PWs) bands (ev): 1.1390 1.1390 1.1399 1.1399 4.6109 4.6109 4.6133 4.6133 6.2062 6.2062 6.2226 6.2226 6.6553 6.6553 6.6740 6.6740 7.2498 7.2498 7.2763 7.2763 7.3084 7.3084 7.3693 7.3693 7.4112 7.4112 7.4365 7.4365 7.5947 7.5947 7.5970 7.5970 7.6954 7.6954 7.7201 7.7201 8.0504 8.0504 8.0688 8.0688 8.2807 8.2807 8.2962 8.2962 8.4127 8.4127 8.4433 8.4433 8.5672 8.5672 8.6049 8.6049 8.7149 8.7149 8.7190 8.7190 10.8133 10.8133 10.8584 10.8584 13.1253 13.1253 13.1456 13.1456 k = 0.4375 0.5000-0.0000 ( 3496 PWs) bands (ev): 1.1562 1.1562 1.1570 1.1570 4.5980 4.5980 4.6000 4.6000 6.2154 6.2154 6.2292 6.2292 6.6475 6.6475 6.6632 6.6632 7.2587 7.2587 7.2816 7.2816 7.3311 7.3311 7.3873 7.3873 7.4250 7.4250 7.4508 7.4508 7.5986 7.5986 7.6066 7.6066 7.6949 7.6949 7.7202 7.7202 8.0476 8.0476 8.0728 8.0728 8.2835 8.2835 8.2935 8.2935 8.4019 8.4019 8.4389 8.4389 8.5477 8.5477 8.5830 8.5830 8.6898 8.6898 8.6957 8.6957 10.7627 10.7627 10.8015 10.8015 13.0903 13.0903 13.1072 13.1072 k = 0.4500 0.5000-0.0000 ( 3500 PWs) bands (ev): 1.1707 1.1707 1.1714 1.1714 4.5868 4.5868 4.5884 4.5884 6.2236 6.2236 6.2347 6.2347 6.6408 6.6408 6.6535 6.6535 7.2656 7.2656 7.2835 7.2835 7.3500 7.3500 7.3915 7.3915 7.4510 7.4510 7.4679 7.4679 7.6017 7.6017 7.6134 7.6134 7.6956 7.6956 7.7188 7.7188 8.0452 8.0452 8.0740 8.0740 8.2884 8.2884 8.2923 8.2923 8.3945 8.3945 8.4360 8.4360 8.5296 8.5296 8.5601 8.5601 8.6688 8.6688 8.6761 8.6761 10.7218 10.7218 10.7538 10.7538 13.0618 13.0618 13.0754 13.0754 k = 0.4625 0.5000-0.0000 ( 3504 PWs) bands (ev): 1.1822 1.1822 1.1827 1.1827 4.5778 4.5778 4.5790 4.5790 6.2305 6.2305 6.2389 6.2389 6.6356 6.6356 6.6451 6.6451 7.2711 7.2711 7.2842 7.2842 7.3633 7.3633 7.3909 7.3909 7.4783 7.4783 7.4866 7.4866 7.6042 7.6042 7.6172 7.6172 7.6966 7.6966 7.7154 7.7154 8.0442 8.0442 8.0719 8.0719 8.2931 8.2931 8.2948 8.2948 8.3915 8.3915 8.4339 8.4339 8.5134 8.5134 8.5365 8.5365 8.6531 8.6531 8.6604 8.6604 10.6909 10.6909 10.7154 10.7154 13.0400 13.0400 13.0502 13.0502 k = 0.4750 0.5000-0.0000 ( 3508 PWs) bands (ev): 1.1906 1.1906 1.1909 1.1909 4.5713 4.5713 4.5721 4.5721 6.2361 6.2361 6.2417 6.2417 6.6321 6.6321 6.6385 6.6385 7.2754 7.2754 7.2840 7.2840 7.3722 7.3722 7.3888 7.3888 7.5014 7.5014 7.5041 7.5041 7.6067 7.6067 7.6183 7.6183 7.6975 7.6975 7.7107 7.7107 8.0451 8.0451 8.0670 8.0670 8.2956 8.2956 8.3006 8.3006 8.3944 8.3944 8.4315 8.4315 8.5001 8.5001 8.5139 8.5139 8.6427 8.6427 8.6485 8.6485 10.6700 10.6700 10.6866 10.6866 13.0248 13.0248 13.0316 13.0316 k = 0.4875 0.5000-0.0000 ( 3520 PWs) bands (ev): 1.1957 1.1957 1.1959 1.1959 4.5673 4.5673 4.5677 4.5677 6.2400 6.2400 6.2429 6.2429 6.6305 6.6305 6.6337 6.6337 7.2788 7.2788 7.2830 7.2830 7.3782 7.3782 7.3860 7.3860 7.5166 7.5166 7.5169 7.5169 7.6098 7.6098 7.6168 7.6168 7.6987 7.6987 7.7055 7.7055 8.0484 8.0484 8.0605 8.0605 8.2990 8.2990 8.3031 8.3031 8.4036 8.4036 8.4264 8.4264 8.4910 8.4910 8.4964 8.4964 8.6374 8.6374 8.6406 8.6406 10.6592 10.6592 10.6676 10.6676 13.0164 13.0164 13.0198 13.0198 k = 0.5000 0.5000-0.0000 ( 3520 PWs) bands (ev): 1.1975 1.1975 1.1975 1.1975 4.5661 4.5661 4.5661 4.5661 6.2423 6.2423 6.2423 6.2423 6.6311 6.6311 6.6311 6.6311 7.2813 7.2813 7.2813 7.2813 7.3826 7.3826 7.3826 7.3826 7.5218 7.5218 7.5218 7.5218 7.6136 7.6136 7.6136 7.6136 7.7013 7.7013 7.7013 7.7013 8.0538 8.0538 8.0538 8.0538 8.3021 8.3021 8.3021 8.3021 8.4162 8.4162 8.4162 8.4162 8.4887 8.4887 8.4887 8.4887 8.6369 8.6369 8.6369 8.6369 10.6584 10.6584 10.6584 10.6584 13.0148 13.0148 13.0148 13.0148 k = 0.5000 0.5000-0.0000 ( 3520 PWs) bands (ev): 1.1975 1.1975 1.1975 1.1975 4.5661 4.5661 4.5661 4.5661 6.2423 6.2423 6.2423 6.2423 6.6311 6.6311 6.6311 6.6311 7.2813 7.2813 7.2813 7.2813 7.3826 7.3826 7.3826 7.3826 7.5218 7.5218 7.5218 7.5218 7.6136 7.6136 7.6136 7.6136 7.7013 7.7013 7.7013 7.7013 8.0538 8.0538 8.0538 8.0538 8.3021 8.3021 8.3021 8.3021 8.4162 8.4162 8.4162 8.4162 8.4887 8.4887 8.4887 8.4887 8.6369 8.6369 8.6369 8.6369 10.6584 10.6584 10.6584 10.6584 13.0148 13.0148 13.0148 13.0148 k = 0.4911 0.4911-0.0000 ( 3520 PWs) bands (ev): 1.1937 1.1937 1.1977 1.1977 4.5673 4.5673 4.5678 4.5678 6.2400 6.2400 6.2429 6.2429 6.6304 6.6304 6.6339 6.6339 7.2788 7.2788 7.2831 7.2831 7.3781 7.3781 7.3860 7.3860 7.5125 7.5125 7.5210 7.5210 7.6091 7.6091 7.6173 7.6173 7.6984 7.6984 7.7059 7.7059 8.0476 8.0476 8.0613 8.0613 8.2980 8.2980 8.3042 8.3042 8.4032 8.4032 8.4266 8.4266 8.4909 8.4909 8.4969 8.4969 8.6365 8.6365 8.6416 8.6416 10.6577 10.6577 10.6693 10.6693 13.0149 13.0149 13.0214 13.0214 k = 0.4821 0.4821-0.0000 ( 3508 PWs) bands (ev): 1.1827 1.1827 1.1986 1.1986 4.5711 4.5711 4.5725 4.5725 6.2357 6.2357 6.2417 6.2417 6.6314 6.6314 6.6394 6.6394 7.2752 7.2752 7.2840 7.2840 7.3721 7.3721 7.3891 7.3891 7.4879 7.4879 7.5188 7.5188 7.6023 7.6023 7.6209 7.6209 7.6954 7.6954 7.7127 7.7127 8.0395 8.0395 8.0729 8.0729 8.2894 8.2894 8.3071 8.3071 8.3919 8.3919 8.4318 8.4318 8.4997 8.4997 8.5172 8.5172 8.6372 8.6372 8.6536 8.6536 10.6608 10.6608 10.6966 10.6966 13.0170 13.0170 13.0400 13.0400 k = 0.4732 0.4732-0.0000 ( 3504 PWs) bands (ev): 1.1644 1.1644 1.2000 1.2000 4.5776 4.5776 4.5802 4.5802 6.2292 6.2292 6.2388 6.2388 6.6336 6.6336 6.6480 6.6480 7.2704 7.2704 7.2841 7.2841 7.3636 7.3636 7.3921 7.3921 7.4545 7.4545 7.5152 7.5152 7.5927 7.5927 7.6233 7.6233 7.6915 7.6915 7.7201 7.7201 8.0286 8.0286 8.0884 8.0884 8.2775 8.2775 8.3117 8.3117 8.3839 8.3839 8.4337 8.4337 8.5136 8.5136 8.5463 8.5463 8.6385 8.6385 8.6722 8.6722 10.6665 10.6665 10.7410 10.7410 13.0204 13.0204 13.0708 13.0708 k = 0.4643 0.4643-0.0000 ( 3498 PWs) bands (ev): 1.1391 1.1391 1.2019 1.2019 4.5865 4.5865 4.5909 4.5909 6.2202 6.2202 6.2340 6.2340 6.6370 6.6370 6.6595 6.6595 7.2642 7.2642 7.2829 7.2829 7.3504 7.3504 7.3943 7.3943 7.4194 7.4194 7.5106 7.5106 7.5804 7.5804 7.6238 7.6238 7.6868 7.6868 7.7268 7.7268 8.0153 8.0153 8.1063 8.1063 8.2648 8.2648 8.3178 8.3178 8.3788 8.3788 8.4347 8.4347 8.5320 8.5320 8.5812 8.5812 8.6407 8.6407 8.6962 8.6962 10.6747 10.6747 10.8022 10.8022 13.0252 13.0252 13.1134 13.1134 k = 0.4554 0.4554-0.0000 ( 3504 PWs) bands (ev): 1.1072 1.1072 1.2042 1.2042 4.5981 4.5981 4.6045 4.6045 6.2083 6.2083 6.2273 6.2273 6.6413 6.6413 6.6737 6.6737 7.2562 7.2562 7.2800 7.2800 7.3272 7.3272 7.3841 7.3841 7.4031 7.4031 7.5053 7.5053 7.5656 7.5656 7.6223 7.6223 7.6818 7.6818 7.7321 7.7321 8.0007 8.0007 8.1242 8.1242 8.2539 8.2539 8.3246 8.3246 8.3762 8.3762 8.4359 8.4359 8.5544 8.5544 8.6192 8.6192 8.6454 8.6454 8.7246 8.7246 10.6856 10.6856 10.8790 10.8790 13.0313 13.0313 13.1677 13.1677 k = 0.4464 0.4464-0.0000 ( 3512 PWs) bands (ev): 1.0691 1.0691 1.2071 1.2071 4.6121 4.6121 4.6210 4.6210 6.1931 6.1931 6.2185 6.2185 6.6465 6.6465 6.6902 6.6902 7.2461 7.2461 7.2736 7.2736 7.2923 7.2923 7.3673 7.3673 7.4054 7.4054 7.4995 7.4995 7.5485 7.5485 7.6190 7.6190 7.6769 7.6769 7.7364 7.7364 7.9864 7.9864 8.1393 8.1393 8.2468 8.2468 8.3315 8.3315 8.3757 8.3757 8.4377 8.4377 8.5798 8.5798 8.6446 8.6446 8.6692 8.6692 8.7565 8.7565 10.6995 10.6995 10.9705 10.9705 13.0389 13.0389 13.2333 13.2333 k = 0.4375 0.4375-0.0000 ( 3510 PWs) bands (ev): 1.0252 1.0252 1.2102 1.2102 4.6287 4.6287 4.6401 4.6401 6.1743 6.1743 6.2075 6.2075 6.6527 6.6527 6.7084 6.7084 7.2327 7.2327 7.2456 7.2456 7.2705 7.2705 7.3571 7.3571 7.4090 7.4090 7.4934 7.4934 7.5300 7.5300 7.6139 7.6139 7.6727 7.6727 7.7399 7.7399 7.9736 7.9736 8.1497 8.1497 8.2450 8.2450 8.3375 8.3375 8.3773 8.3773 8.4403 8.4403 8.6045 8.6045 8.6579 8.6579 8.7147 8.7147 8.7917 8.7917 10.7165 10.7165 11.0756 11.0756 13.0479 13.0479 13.3096 13.3096 k = 0.4286 0.4286-0.0000 ( 3498 PWs) bands (ev): 0.9761 0.9761 1.2138 1.2138 4.6478 4.6478 4.6618 4.6618 6.1519 6.1519 6.1943 6.1943 6.6597 6.6597 6.7276 6.7276 7.1990 7.1990 7.2206 7.2206 7.2596 7.2596 7.3504 7.3504 7.4119 7.4119 7.4873 7.4873 7.5114 7.5114 7.6074 7.6074 7.6691 7.6691 7.7433 7.7433 7.9632 7.9632 8.1547 8.1547 8.2483 8.2483 8.3418 8.3418 8.3810 8.3810 8.4436 8.4436 8.6216 8.6216 8.6827 8.6827 8.7653 8.7653 8.8299 8.8299 10.7371 10.7371 11.1930 11.1930 13.0583 13.0583 13.3962 13.3962 k = 0.4196 0.4196-0.0000 ( 3500 PWs) bands (ev): 0.9222 0.9222 1.2175 1.2175 4.6693 4.6693 4.6861 4.6861 6.1257 6.1257 6.1785 6.1785 6.6676 6.6676 6.7470 6.7470 7.1559 7.1559 7.2030 7.2030 7.2470 7.2470 7.3448 7.3448 7.4126 7.4126 7.4804 7.4804 7.4961 7.4961 7.5999 7.5999 7.6663 7.6663 7.7472 7.7472 7.9556 7.9556 8.1556 8.1556 8.2550 8.2550 8.3446 8.3446 8.3860 8.3860 8.4475 8.4475 8.6303 8.6303 8.7206 8.7206 8.8193 8.8193 8.8713 8.8713 10.7616 10.7616 11.3218 11.3218 13.0702 13.0702 13.4926 13.4926 k = 0.4107 0.4107-0.0000 ( 3506 PWs) bands (ev): 0.8640 0.8640 1.2214 1.2214 4.6933 4.6933 4.7126 4.7126 6.0955 6.0955 6.1603 6.1603 6.6763 6.6763 6.7659 6.7659 7.1151 7.1151 7.1835 7.1835 7.2325 7.2325 7.3379 7.3379 7.4100 7.4100 7.4707 7.4707 7.4891 7.4891 7.5919 7.5919 7.6639 7.6639 7.7520 7.7520 7.9509 7.9509 8.1544 8.1544 8.2629 8.2629 8.3463 8.3463 8.3913 8.3913 8.4518 8.4518 8.6354 8.6354 8.7666 8.7666 8.8764 8.8764 8.9158 8.9158 10.7904 10.7904 11.4609 11.4609 13.0835 13.0835 13.5982 13.5982 k = 0.4018 0.4018-0.0000 ( 3502 PWs) bands (ev): 0.8021 0.8021 1.2255 1.2255 4.7196 4.7196 4.7415 4.7415 6.0617 6.0617 6.1395 6.1395 6.6857 6.6857 6.7834 6.7834 7.0779 7.0779 7.1623 7.1623 7.2163 7.2163 7.3271 7.3271 7.4053 7.4053 7.4605 7.4605 7.4900 7.4900 7.5843 7.5843 7.6622 7.6622 7.7583 7.7583 7.9487 7.9487 8.1523 8.1523 8.2704 8.2704 8.3477 8.3477 8.3964 8.3964 8.4563 8.4563 8.6392 8.6392 8.8182 8.8182 8.9360 8.9360 8.9642 8.9642 10.8241 10.8241 11.6093 11.6093 13.0984 13.0984 13.7125 13.7125 k = 0.3929 0.3929-0.0000 ( 3488 PWs) bands (ev): 0.7370 0.7370 1.2294 1.2294 4.7483 4.7483 4.7726 4.7726 6.0242 6.0242 6.1164 6.1164 6.6959 6.6959 6.7989 6.7989 7.0448 7.0448 7.1398 7.1398 7.1989 7.1989 7.3109 7.3109 7.4018 7.4018 7.4514 7.4514 7.4959 7.4959 7.5774 7.5774 7.6609 7.6609 7.7663 7.7663 7.9486 7.9486 8.1501 8.1501 8.2770 8.2770 8.3490 8.3490 8.4007 8.4007 8.4607 8.4607 8.6424 8.6424 8.8741 8.8741 8.9973 8.9973 9.0170 9.0170 10.8632 10.8632 11.7662 11.7662 13.1147 13.1147 13.8349 13.8349 k = 0.3839 0.3839-0.0000 ( 3488 PWs) bands (ev): 0.6692 0.6692 1.2333 1.2333 4.7793 4.7793 4.8057 4.8057 5.9833 5.9833 6.0913 6.0913 6.7067 6.7067 6.8120 6.8120 7.0162 7.0162 7.1162 7.1162 7.1802 7.1802 7.2896 7.2896 7.4010 7.4010 7.4431 7.4431 7.5047 7.5047 7.5715 7.5715 7.6599 7.6599 7.7757 7.7757 7.9500 7.9500 8.1481 8.1481 8.2823 8.2823 8.3505 8.3505 8.4042 8.4042 8.4646 8.4646 8.6455 8.6455 8.9335 8.9335 9.0583 9.0583 9.0759 9.0759 10.9082 10.9082 11.9309 11.9309 13.1327 13.1327 13.9650 13.9650 k = 0.3750 0.3750-0.0000 ( 3484 PWs) bands (ev): 0.5991 0.5991 1.2370 1.2370 4.8126 4.8126 4.8409 4.8409 5.9391 5.9391 6.0644 6.0644 6.7182 6.7182 6.8222 6.8222 6.9923 6.9923 7.0920 7.0920 7.1607 7.1607 7.2654 7.2654 7.4027 7.4027 7.4353 7.4353 7.5156 7.5156 7.5671 7.5671 7.6593 7.6593 7.7867 7.7867 7.9526 7.9526 8.1464 8.1464 8.2862 8.2862 8.3523 8.3523 8.4068 8.4068 8.4677 8.4677 8.6485 8.6485 8.9959 8.9959 9.1184 9.1184 9.1412 9.1412 10.9599 10.9599 12.1027 12.1027 13.1522 13.1522 14.1020 14.1020 k = 0.3661 0.3661-0.0000 ( 3484 PWs) bands (ev): 0.5271 0.5271 1.2403 1.2403 4.8480 4.8480 4.8780 4.8780 5.8919 5.8919 6.0365 6.0365 6.7301 6.7301 6.8293 6.8293 6.9727 6.9727 7.0675 7.0675 7.1407 7.1407 7.2400 7.2400 7.4061 7.4061 7.4280 7.4280 7.5279 7.5279 7.5642 7.5642 7.6590 7.6590 7.7989 7.7989 7.9559 7.9559 8.1450 8.1450 8.2889 8.2889 8.3542 8.3542 8.4087 8.4087 8.4699 8.4699 8.6514 8.6514 9.0608 9.0608 9.1793 9.1793 9.2107 9.2107 11.0188 11.0188 12.2808 12.2808 13.1734 13.1734 14.2456 14.2456 k = 0.3571 0.3571-0.0000 ( 3488 PWs) bands (ev): 0.4536 0.4536 1.2432 1.2432 4.8855 4.8855 4.9168 4.9168 5.8420 5.8420 6.0081 6.0081 6.7424 6.7424 6.8334 6.8334 6.9571 6.9571 7.0430 7.0430 7.1207 7.1207 7.2146 7.2146 7.4103 7.4103 7.4212 7.4212 7.5408 7.5408 7.5629 7.5629 7.6591 7.6591 7.8121 7.8121 7.9598 7.9598 8.1439 8.1439 8.2906 8.2906 8.3564 8.3564 8.4097 8.4097 8.4711 8.4711 8.6543 8.6543 9.1279 9.1279 9.2417 9.2417 9.2830 9.2830 11.0857 11.0857 12.4647 12.4647 13.1964 13.1964 14.3951 14.3951 k = 0.3482 0.3482-0.0000 ( 3488 PWs) bands (ev): 0.3791 0.3791 1.2456 1.2456 4.9250 4.9250 4.9575 4.9575 5.7899 5.7899 5.9800 5.9800 6.7550 6.7550 6.8347 6.8347 6.9448 6.9448 7.0188 7.0188 7.1014 7.1014 7.1901 7.1901 7.4143 7.4143 7.4157 7.4157 7.5535 7.5535 7.5638 7.5638 7.6598 7.6598 7.8261 7.8261 7.9639 7.9639 8.1431 8.1431 8.2914 8.2914 8.3587 8.3587 8.4101 8.4101 8.4713 8.4713 8.6572 8.6572 9.1969 9.1969 9.3054 9.3054 9.3575 9.3575 11.1611 11.1611 12.6538 12.6538 13.2213 13.2213 14.5501 14.5501 k = 0.3393 0.3393-0.0000 ( 3484 PWs) bands (ev): 0.3039 0.3039 1.2473 1.2473 4.9663 4.9663 4.9998 4.9998 5.7358 5.7358 5.9527 5.9527 6.7676 6.7676 6.8334 6.8334 6.9350 6.9350 6.9952 6.9952 7.0834 7.0834 7.1667 7.1667 7.4091 7.4091 7.4201 7.4201 7.5620 7.5620 7.5705 7.5705 7.6613 7.6613 7.8406 7.8406 7.9681 7.9681 8.1426 8.1426 8.2916 8.2916 8.3610 8.3610 8.4098 8.4098 8.4704 8.4704 8.6601 8.6601 9.2676 9.2676 9.3699 9.3699 9.4339 9.4339 11.2456 11.2456 12.8471 12.8471 13.2485 13.2485 14.7098 14.7098 k = 0.3304 0.3304-0.0000 ( 3484 PWs) bands (ev): 0.2283 0.2283 1.2483 1.2483 5.0093 5.0093 5.0437 5.0437 5.6801 5.6801 5.9271 5.9271 6.7798 6.7798 6.8301 6.8301 6.9267 6.9267 6.9725 6.9725 7.0675 7.0675 7.1446 7.1446 7.4039 7.4039 7.4248 7.4248 7.5663 7.5663 7.5824 7.5824 7.6641 7.6641 7.8554 7.8554 7.9723 7.9723 8.1423 8.1423 8.2912 8.2912 8.3632 8.3632 8.4090 8.4090 8.4685 8.4685 8.6630 8.6630 9.3396 9.3396 9.4347 9.4347 9.5120 9.5120 11.3398 11.3398 13.0429 13.0429 13.2795 13.2795 14.8736 14.8736 k = 0.3214 0.3214-0.0000 ( 3488 PWs) bands (ev): 0.1525 0.1525 1.2485 1.2485 5.0537 5.0537 5.0891 5.0891 5.6235 5.6235 5.9036 5.9036 6.7909 6.7909 6.8251 6.8251 6.9191 6.9191 6.9510 6.9510 7.0547 7.0547 7.1241 7.1241 7.3991 7.3991 7.4293 7.4293 7.5713 7.5713 7.5941 7.5941 7.6687 7.6687 7.8702 7.8702 7.9762 7.9762 8.1422 8.1422 8.2905 8.2905 8.3653 8.3653 8.4076 8.4076 8.4657 8.4657 8.6659 8.6659 9.4126 9.4126 9.4994 9.4994 9.5917 9.5917 11.4439 11.4439 13.2285 13.2285 13.3263 13.3263 15.0409 15.0409 k = 0.3125 0.3125-0.0000 ( 3478 PWs) bands (ev): 0.0769 0.0769 1.2477 1.2477 5.0988 5.0988 5.1358 5.1358 5.5665 5.5665 5.8830 5.8830 6.7996 6.7996 6.8189 6.8189 6.9122 6.9122 6.9314 6.9314 7.0457 7.0457 7.1049 7.1049 7.3950 7.3950 7.4335 7.4335 7.5777 7.5777 7.6041 7.6041 7.6759 7.6759 7.8849 7.8849 7.9800 7.9800 8.1423 8.1423 8.2895 8.2895 8.3672 8.3672 8.4057 8.4057 8.4622 8.4622 8.6687 8.6687 9.4863 9.4863 9.5639 9.5639 9.6728 9.6728 11.5581 11.5581 13.3188 13.3188 13.4738 13.4738 15.2107 15.2107 k = 0.3036 0.3036-0.0000 ( 3480 PWs) bands (ev): 0.0017 0.0017 1.2460 1.2460 5.1438 5.1438 5.1839 5.1839 5.5106 5.5106 5.8656 5.8656 6.8033 6.8033 6.8120 6.8120 6.9056 6.9056 6.9153 6.9153 7.0409 7.0409 7.0870 7.0870 7.3912 7.3912 7.4372 7.4372 7.5852 7.5852 7.6119 7.6119 7.6859 7.6859 7.8992 7.8992 7.9834 7.9834 8.1426 8.1426 8.2882 8.2882 8.3688 8.3688 8.4033 8.4033 8.4580 8.4580 8.6715 8.6715 9.5596 9.5596 9.6286 9.6286 9.7550 9.7550 11.6824 11.6824 13.3587 13.3587 13.6762 13.6762 15.3819 15.3819 k = 0.2946 0.2946-0.0000 ( 3472 PWs) bands (ev): -0.0729 -0.0729 1.2432 1.2432 5.1862 5.1862 5.2332 5.2332 5.4581 5.4581 5.8519 5.8519 6.7985 6.7985 6.8066 6.8066 6.8928 6.8928 6.9112 6.9112 7.0404 7.0404 7.0704 7.0704 7.3881 7.3881 7.4405 7.4405 7.5937 7.5937 7.6178 7.6178 7.6988 7.6988 7.9132 7.9132 7.9866 7.9866 8.1429 8.1429 8.2869 8.2869 8.3701 8.3701 8.4007 8.4007 8.4533 8.4533 8.6742 8.6742 9.6311 9.6311 9.6945 9.6945 9.8383 9.8383 11.8166 11.8166 13.3955 13.3955 13.8855 13.8855 15.5533 15.5533 k = 0.2857 0.2857-0.0000 ( 3468 PWs) bands (ev): -0.1466 -0.1466 1.2393 1.2393 5.2193 5.2193 5.2837 5.2837 5.4158 5.4158 5.8420 5.8420 6.7879 6.7879 6.7997 6.7997 6.8769 6.8769 6.9166 6.9166 7.0432 7.0432 7.0554 7.0554 7.3854 7.3854 7.4435 7.4435 7.6024 7.6024 7.6231 7.6231 7.7140 7.7140 7.9265 7.9265 7.9896 7.9896 8.1434 8.1434 8.2855 8.2855 8.3708 8.3708 8.3978 8.3978 8.4480 8.4480 8.6767 8.6767 9.6988 9.6988 9.7636 9.7636 9.9225 9.9225 11.9603 11.9603 13.4331 13.4331 14.0967 14.0967 15.7225 15.7225 k = 0.2768 0.2768-0.0000 ( 3466 PWs) bands (ev): -0.2194 -0.2194 1.2344 1.2344 5.2272 5.2272 5.3356 5.3356 5.3995 5.3995 5.8364 5.8364 6.7742 6.7742 6.7905 6.7905 6.8612 6.8612 6.9271 6.9271 7.0388 7.0388 7.0518 7.0518 7.3832 7.3832 7.4463 7.4463 7.6095 7.6095 7.6297 7.6297 7.7307 7.7307 7.9390 7.9390 7.9925 7.9925 8.1440 8.1440 8.2839 8.2839 8.3709 8.3709 8.3948 8.3948 8.4425 8.4425 8.6792 8.6792 9.7615 9.7615 9.8371 9.8371 10.0073 10.0073 12.1132 12.1132 13.4720 13.4720 14.3072 14.3073 15.8854 15.8854 k = 0.2679 0.2679-0.0000 ( 3462 PWs) bands (ev): -0.2910 -0.2910 1.2283 1.2283 5.2004 5.2004 5.3889 5.3889 5.4187 5.4187 5.8350 5.8350 6.7582 6.7582 6.7806 6.7806 6.8459 6.8459 6.9408 6.9408 7.0258 7.0258 7.0606 7.0606 7.3815 7.3815 7.4488 7.4488 7.6138 7.6138 7.6394 7.6394 7.7486 7.7486 7.9505 7.9505 7.9954 7.9954 8.1448 8.1448 8.2824 8.2824 8.3702 8.3702 8.3920 8.3920 8.4367 8.4367 8.6816 8.6816 9.8197 9.8197 9.9143 9.9143 10.0927 10.0927 12.2747 12.2747 13.5126 13.5126 14.5133 14.5133 16.0211 16.0211 k = 0.2589 0.2589-0.0000 ( 3462 PWs) bands (ev): -0.3613 -0.3613 1.2211 1.2211 5.1540 5.1540 5.4436 5.4436 5.4581 5.4581 5.8381 5.8381 6.7407 6.7407 6.7707 6.7707 6.8313 6.8313 6.9562 6.9562 7.0132 7.0132 7.0721 7.0721 7.3803 7.3803 7.4513 7.4513 7.6157 7.6157 7.6517 7.6517 7.7672 7.7672 7.9606 7.9606 7.9988 7.9988 8.1456 8.1456 8.2807 8.2807 8.3683 8.3683 8.3896 8.3896 8.4308 8.4308 8.6838 8.6838 9.8747 9.8747 9.9941 9.9941 10.1784 10.1784 12.4439 12.4439 13.5550 13.5550 14.7072 14.7072 15.9501 15.9501 k = 0.2500 0.2500-0.0000 ( 3454 PWs) bands (ev): -0.4301 -0.4301 1.2128 1.2128 5.1006 5.1006 5.4995 5.4995 5.5055 5.5055 5.8455 5.8455 6.7226 6.7226 6.7613 6.7613 6.8176 6.8176 6.9717 6.9717 7.0025 7.0025 7.0855 7.0855 7.3797 7.3797 7.4539 7.4539 7.6165 7.6165 7.6657 7.6657 7.7864 7.7864 7.9686 7.9686 8.0033 8.0033 8.1467 8.1467 8.2791 8.2791 8.3653 8.3653 8.3878 8.3878 8.4248 8.4248 8.6858 8.6858 9.9276 9.9276 10.0755 10.0755 10.2643 10.2643 12.6203 12.6203 13.5991 13.5991 14.8707 14.8707 15.8118 15.8118 k = 0.2411 0.2411-0.0000 ( 3456 PWs) bands (ev): -0.4974 -0.4974 1.2035 1.2035 5.0448 5.0448 5.5542 5.5542 5.5580 5.5580 5.8571 5.8571 6.7041 6.7041 6.7526 6.7526 6.8048 6.8048 6.9800 6.9800 7.0004 7.0004 7.1003 7.1003 7.3797 7.3797 7.4565 7.4565 7.6166 7.6166 7.6807 7.6807 7.8060 7.8060 7.9743 7.9743 8.0092 8.0092 8.1478 8.1478 8.2772 8.2772 8.3612 8.3612 8.3863 8.3863 8.4188 8.4188 8.6875 8.6875 9.9791 9.9791 10.1578 10.1578 10.3500 10.3500 12.8029 12.8029 13.6449 13.6449 14.9634 14.9634 15.7417 15.7417 k = 0.2321 0.2321-0.0000 ( 3452 PWs) bands (ev): -0.5629 -0.5629 1.1932 1.1932 4.9885 4.9885 5.6061 5.6061 5.6153 5.6153 5.8729 5.8729 6.6858 6.6858 6.7448 6.7448 6.7931 6.7931 6.9734 6.9734 7.0143 7.0143 7.1164 7.1164 7.3804 7.3804 7.4595 7.4595 7.6166 7.6166 7.6965 7.6965 7.8258 7.8258 7.9777 7.9777 8.0165 8.0165 8.1491 8.1491 8.2753 8.2753 8.3562 8.3562 8.3852 8.3852 8.4130 8.4130 8.6891 8.6891 10.0299 10.0299 10.2404 10.2404 10.4355 10.4355 12.9908 12.9908 13.6924 13.6924 14.9424 14.9424 15.7877 15.7877 k = 0.2232 0.2232-0.0000 ( 3457 PWs) bands (ev): -0.6266 -0.6266 1.1820 1.1820 4.9326 4.9326 5.6580 5.6580 5.6735 5.6735 5.8925 5.8925 6.6678 6.6678 6.7381 6.7381 6.7825 6.7825 6.9638 6.9638 7.0322 7.0322 7.1333 7.1333 7.3817 7.3817 7.4628 7.4628 7.6165 7.6165 7.7129 7.7129 7.8457 7.8457 7.9794 7.9794 8.0246 8.0246 8.1506 8.1506 8.2730 8.2730 8.3508 8.3508 8.3840 8.3840 8.4072 8.4072 8.6904 8.6904 10.0804 10.0804 10.3226 10.3226 10.5204 10.5204 13.1829 13.1829 13.7414 13.7414 14.8311 14.8311 15.9258 15.9258 k = 0.2143 0.2143-0.0000 ( 3457 PWs) bands (ev): -0.6884 -0.6884 1.1700 1.1700 4.8776 4.8776 5.7098 5.7098 5.7318 5.7318 5.9158 5.9158 6.6502 6.6502 6.7327 6.7327 6.7734 6.7734 6.9541 6.9541 7.0508 7.0508 7.1510 7.1510 7.3838 7.3838 7.4665 7.4665 7.6166 7.6166 7.7299 7.7299 7.8657 7.8657 7.9802 7.9802 8.0329 8.0329 8.1524 8.1524 8.2705 8.2705 8.3451 8.3451 8.3828 8.3828 8.4017 8.4017 8.6913 8.6913 10.1310 10.1310 10.4038 10.4038 10.6046 10.6046 13.3778 13.3778 13.7917 13.7917 14.6798 14.6798 16.1019 16.1019 k = 0.2054 0.2054-0.0000 ( 3457 PWs) bands (ev): -0.7482 -0.7482 1.1572 1.1572 4.8237 4.8237 5.7612 5.7612 5.7896 5.7896 5.9423 5.9423 6.6330 6.6330 6.7284 6.7284 6.7665 6.7665 6.9447 6.9447 7.0695 7.0695 7.1691 7.1691 7.3868 7.3868 7.4708 7.4708 7.6171 7.6171 7.7472 7.7472 7.8855 7.8855 7.9803 7.9803 8.0411 8.0411 8.1543 8.1543 8.2673 8.2673 8.3393 8.3393 8.3814 8.3814 8.3963 8.3963 8.6919 8.6919 10.1822 10.1822 10.4830 10.4830 10.6879 10.6879 13.5734 13.5734 13.8429 13.8429 14.5161 14.5161 16.2733 16.2733 k = 0.1964 0.1964-0.0000 ( 3461 PWs) bands (ev): -0.8059 -0.8059 1.1438 1.1438 4.7712 4.7712 5.8117 5.8117 5.8463 5.8463 5.9720 5.9720 6.6164 6.6164 6.7246 6.7246 6.7628 6.7628 6.9359 6.9359 7.0880 7.0880 7.1876 7.1876 7.3908 7.3908 7.4757 7.4757 7.6180 7.6180 7.7648 7.7648 7.9052 7.9052 7.9801 7.9801 8.0490 8.0490 8.1566 8.1566 8.2635 8.2635 8.3337 8.3337 8.3797 8.3797 8.3913 8.3913 8.6920 8.6920 10.2341 10.2341 10.5591 10.5591 10.7705 10.7705 13.7654 13.7654 13.8955 13.8955 14.3531 14.3531 16.3193 16.3193 k = 0.1875 0.1875-0.0000 ( 3465 PWs) bands (ev): -0.8615 -0.8615 1.1299 1.1299 4.7203 4.7203 5.8612 5.8612 5.9009 5.9009 6.0049 6.0049 6.6004 6.6004 6.7203 6.7203 6.7637 6.7637 6.9277 6.9277 7.1060 7.1060 7.2059 7.2059 7.3959 7.3959 7.4812 7.4812 7.6198 7.6198 7.7827 7.7827 7.9248 7.9248 7.9799 7.9799 8.0563 8.0563 8.1591 8.1591 8.2588 8.2588 8.3285 8.3285 8.3776 8.3776 8.3866 8.3866 8.6917 8.6917 10.2871 10.2871 10.6307 10.6307 10.8524 10.8524 13.9128 13.9128 13.9799 13.9799 14.2035 14.2035 16.2055 16.2055 k = 0.1786 0.1786-0.0000 ( 3465 PWs) bands (ev): -0.9149 -0.9149 1.1157 1.1157 4.6712 4.6712 5.9094 5.9094 5.9519 5.9519 6.0414 6.0414 6.5851 6.5851 6.7152 6.7152 6.7701 6.7701 6.9203 6.9203 7.1234 7.1234 7.2240 7.2240 7.4022 7.4022 7.4875 7.4875 7.6226 7.6226 7.8008 7.8008 7.9440 7.9440 7.9797 7.9797 8.0632 8.0632 8.1619 8.1619 8.2531 8.2531 8.3239 8.3239 8.3751 8.3751 8.3825 8.3825 8.6907 8.6907 10.3413 10.3413 10.6960 10.6960 10.9339 10.9339 13.9261 13.9261 14.0891 14.0891 14.1621 14.1621 16.0622 16.0622 k = 0.1696 0.1696-0.0000 ( 3473 PWs) bands (ev): -0.9660 -0.9660 1.1011 1.1011 4.6239 4.6239 5.9557 5.9557 5.9976 5.9976 6.0824 6.0824 6.5705 6.5705 6.7093 6.7093 6.7821 6.7821 6.9137 6.9137 7.1399 7.1399 7.2416 7.2416 7.4098 7.4098 7.4945 7.4945 7.6267 7.6267 7.8190 7.8190 7.9630 7.9630 7.9797 7.9797 8.0695 8.0695 8.1650 8.1650 8.2462 8.2462 8.3200 8.3200 8.3719 8.3719 8.3788 8.3788 8.6892 8.6892 10.3968 10.3968 10.7531 10.7531 11.0154 11.0154 13.8349 13.8349 14.0974 14.0974 14.3191 14.3191 15.9086 15.9086 k = 0.1607 0.1607-0.0000 ( 3469 PWs) bands (ev): -1.0147 -1.0147 1.0865 1.0865 4.5785 4.5785 5.9996 5.9996 6.0374 6.0374 6.1280 6.1280 6.5567 6.5567 6.7030 6.7030 6.7993 6.7993 6.9085 6.9085 7.1554 7.1554 7.2584 7.2584 7.4189 7.4189 7.5024 7.5024 7.6325 7.6325 7.8373 7.8373 7.9797 7.9797 7.9819 7.9819 8.0753 8.0753 8.1683 8.1683 8.2384 8.2384 8.3169 8.3169 8.3684 8.3684 8.3756 8.3756 8.6870 8.6870 10.4532 10.4532 10.8002 10.8002 11.0972 11.0972 13.7146 13.7146 14.1393 14.1393 14.4538 14.4538 15.7596 15.7596 k = 0.1518 0.1518-0.0000 ( 3471 PWs) bands (ev): -1.0611 -1.0611 1.0718 1.0718 4.5352 4.5352 6.0397 6.0397 6.0725 6.0725 6.1768 6.1768 6.5434 6.5434 6.6968 6.6968 6.8205 6.8205 6.9058 6.9058 7.1698 7.1698 7.2743 7.2743 7.4292 7.4292 7.5112 7.5112 7.6404 7.6404 7.8557 7.8557 7.9807 7.9807 7.9998 7.9998 8.0805 8.0805 8.1717 8.1717 8.2298 8.2298 8.3145 8.3145 8.3645 8.3645 8.3727 8.3727 8.6841 8.6841 10.5098 10.5098 10.8359 10.8359 11.1794 11.1794 13.6010 13.6010 14.1860 14.1860 14.5431 14.5431 15.6198 15.6198 k = 0.1429 0.1429-0.0000 ( 3475 PWs) bands (ev): -1.1050 -1.1050 1.0572 1.0572 4.4941 4.4941 6.0738 6.0738 6.1061 6.1061 6.2270 6.2270 6.5309 6.5309 6.6906 6.6906 6.8422 6.8422 6.9083 6.9083 7.1831 7.1831 7.2894 7.2894 7.4403 7.4403 7.5213 7.5213 7.6506 7.6506 7.8739 7.8739 7.9819 7.9819 8.0173 8.0173 8.0854 8.0854 8.1750 8.1750 8.2210 8.2210 8.3128 8.3128 8.3606 8.3606 8.3699 8.3699 8.6803 8.6803 10.5646 10.5646 10.8605 10.8605 11.2620 11.2620 13.5021 13.5021 14.2304 14.2304 14.5722 14.5722 15.4920 15.4920 k = 0.1339 0.1339-0.0000 ( 3467 PWs) bands (ev): -1.1464 -1.1464 1.0429 1.0429 4.4551 4.4551 6.1003 6.1003 6.1408 6.1408 6.2770 6.2770 6.5195 6.5195 6.6846 6.6846 6.8573 6.8573 6.9228 6.9228 7.1953 7.1953 7.3041 7.3041 7.4515 7.4515 7.5333 7.5333 7.6632 7.6632 7.8921 7.8921 7.9837 7.9837 8.0337 8.0337 8.0902 8.0902 8.1776 8.1776 8.2129 8.2129 8.3115 8.3115 8.3567 8.3567 8.3672 8.3672 8.6756 8.6756 10.6134 10.6134 10.8773 10.8773 11.3445 11.3445 13.4206 13.4206 14.2679 14.2679 14.5402 14.5402 15.3797 15.3797 k = 0.1250 0.1250-0.0000 ( 3467 PWs) bands (ev): -1.1854 -1.1854 1.0289 1.0289 4.4184 4.4184 6.1203 6.1203 6.1756 6.1756 6.3257 6.3257 6.5090 6.5090 6.6788 6.6788 6.8622 6.8622 6.9514 6.9514 7.2065 7.2065 7.3188 7.3188 7.4620 7.4620 7.5478 7.5478 7.6782 7.6782 7.9099 7.9099 7.9860 7.9860 8.0483 8.0483 8.0954 8.0954 8.1781 8.1781 8.2073 8.2073 8.3106 8.3106 8.3527 8.3527 8.3646 8.3646 8.6699 8.6699 10.6468 10.6468 10.8950 10.8950 11.4265 11.4265 13.3581 13.3581 14.2934 14.2934 14.4609 14.4609 15.2872 15.2872 k = 0.1161 0.1161-0.0000 ( 3465 PWs) bands (ev): -1.2218 -1.2218 1.0154 1.0154 4.3840 4.3840 6.1357 6.1357 6.2093 6.2093 6.3723 6.3723 6.4998 6.4998 6.6733 6.6733 6.8618 6.8618 6.9874 6.9874 7.2168 7.2168 7.3346 7.3346 7.4710 7.4710 7.5653 7.5653 7.6953 7.6953 7.9275 7.9275 7.9891 7.9891 8.0593 8.0593 8.1024 8.1024 8.1755 8.1755 8.2058 8.2058 8.3099 8.3099 8.3489 8.3489 8.3622 8.3622 8.6632 8.6632 10.6518 10.6518 10.9271 10.9271 11.5075 11.5075 13.3143 13.3143 14.2940 14.2940 14.3590 14.3590 15.2189 15.2189 k = 0.1071 0.1071-0.0000 ( 3459 PWs) bands (ev): -1.2556 -1.2556 1.0025 1.0025 4.3520 4.3520 6.1474 6.1474 6.2411 6.2411 6.4151 6.4151 6.4931 6.4931 6.6682 6.6682 6.8595 6.8595 7.0252 7.0252 7.2264 7.2264 7.3530 7.3530 7.4784 7.4784 7.5858 7.5858 7.7141 7.7141 7.9444 7.9444 7.9930 7.9930 8.0650 8.0650 8.1124 8.1124 8.1714 8.1714 8.2080 8.2080 8.3095 8.3095 8.3451 8.3451 8.3601 8.3601 8.6554 8.6554 10.6240 10.6240 10.9793 10.9793 11.5870 11.5870 13.2883 13.2883 14.2017 14.2017 14.3119 14.3119 15.1783 15.1783 k = 0.0982 0.0982-0.0000 ( 3443 PWs) bands (ev): -1.2868 -1.2868 0.9902 0.9902 4.3224 4.3224 6.1565 6.1565 6.2708 6.2708 6.4486 6.4486 6.4942 6.4942 6.6633 6.6633 6.8567 6.8567 7.0610 7.0610 7.2351 7.2351 7.3753 7.3753 7.4846 7.4846 7.6089 7.6089 7.7342 7.7342 7.9601 7.9601 7.9981 7.9981 8.0650 8.0650 8.1247 8.1247 8.1688 8.1688 8.2122 8.2122 8.3094 8.3094 8.3415 8.3415 8.3585 8.3585 8.6465 8.6465 10.5699 10.5699 11.0473 11.0473 11.6645 11.6645 13.2777 13.2777 14.0621 14.0621 14.2821 14.2821 15.1658 15.1658 k = 0.0893 0.0893-0.0000 ( 3443 PWs) bands (ev): -1.3153 -1.3153 0.9787 0.9787 4.2953 4.2953 6.1633 6.1633 6.2979 6.2979 6.4592 6.4592 6.5159 6.5159 6.6587 6.6587 6.8537 6.8537 7.0918 7.0918 7.2428 7.2428 7.4021 7.4021 7.4908 7.4908 7.6339 7.6339 7.7546 7.7546 7.9734 7.9734 8.0050 8.0050 8.0607 8.0607 8.1365 8.1365 8.1705 8.1705 8.2173 8.2173 8.3095 8.3095 8.3379 8.3379 8.3577 8.3577 8.6365 8.6365 10.4974 10.4974 11.1255 11.1255 11.7392 11.7392 13.2793 13.2793 13.9148 13.9148 14.2395 14.2395 15.1776 15.1776 k = 0.0804 0.0804-0.0000 ( 3457 PWs) bands (ev): -1.3412 -1.3412 0.9680 0.9680 4.2707 4.2707 6.1682 6.1682 6.3224 6.3224 6.4566 6.4566 6.5484 6.5484 6.6544 6.6544 6.8507 6.8507 7.1163 7.1163 7.2493 7.2493 7.4315 7.4315 7.4997 7.4997 7.6602 7.6602 7.7750 7.7750 7.9830 7.9830 8.0130 8.0130 8.0548 8.0548 8.1451 8.1451 8.1787 8.1787 8.2228 8.2228 8.3101 8.3101 8.3345 8.3345 8.3581 8.3581 8.6254 8.6254 10.4127 10.4127 11.2108 11.2108 11.8108 11.8108 13.2882 13.2882 13.7672 13.7672 14.1873 14.1873 15.2080 15.2080 k = 0.0714 0.0714-0.0000 ( 3459 PWs) bands (ev): -1.3645 -1.3645 0.9583 0.9583 4.2485 4.2485 6.1718 6.1718 6.3444 6.3444 6.4518 6.4518 6.5806 6.5806 6.6506 6.6506 6.8479 6.8479 7.1344 7.1344 7.2547 7.2547 7.4562 7.4562 7.5179 7.5179 7.6870 7.6870 7.7944 7.7944 7.9889 7.9889 8.0164 8.0164 8.0543 8.0543 8.1509 8.1509 8.1920 8.1920 8.2285 8.2285 8.3113 8.3113 8.3314 8.3314 8.3604 8.3604 8.6134 8.6134 10.3203 10.3203 11.3013 11.3013 11.8788 11.8788 13.2958 13.2958 13.6277 13.6277 14.1309 14.1309 15.2508 15.2508 k = 0.0625 0.0625-0.0000 ( 3465 PWs) bands (ev): -1.3850 -1.3850 0.9495 0.9495 4.2289 4.2289 6.1744 6.1744 6.3638 6.3638 6.4469 6.4469 6.6100 6.6100 6.6475 6.6475 6.8452 6.8452 7.1472 7.1472 7.2589 7.2589 7.4693 7.4693 7.5501 7.5501 7.7136 7.7136 7.8122 7.8122 7.9907 7.9907 8.0111 8.0111 8.0644 8.0644 8.1559 8.1559 8.2072 8.2072 8.2338 8.2338 8.3131 8.3131 8.3284 8.3284 8.3654 8.3654 8.6010 8.6010 10.2244 10.2244 11.3957 11.3957 11.9430 11.9430 13.2797 13.2797 13.5176 13.5176 14.0744 14.0744 15.3008 15.3008 k = 0.0536 0.0536-0.0000 ( 3463 PWs) bands (ev): -1.4028 -1.4028 0.9418 0.9418 4.2119 4.2119 6.1762 6.1762 6.3806 6.3806 6.4426 6.4426 6.6334 6.6334 6.6476 6.6476 6.8426 6.8426 7.1559 7.1559 7.2621 7.2621 7.4750 7.4750 7.5900 7.5900 7.7391 7.7391 7.8277 7.8277 7.9841 7.9841 8.0067 8.0067 8.0801 8.0801 8.1609 8.1609 8.2223 8.2223 8.2383 8.2383 8.3151 8.3151 8.3259 8.3259 8.3740 8.3740 8.5889 8.5889 10.1285 10.1285 11.4925 11.4925 12.0034 12.0034 13.2026 13.2026 13.4727 13.4727 14.0211 14.0211 15.3537 15.3537 k = 0.0446 0.0446-0.0000 ( 3467 PWs) bands (ev): -1.4180 -1.4180 0.9351 0.9351 4.1975 4.1975 6.1774 6.1774 6.3946 6.3946 6.4389 6.4389 6.6382 6.6382 6.6631 6.6631 6.8403 6.8403 7.1616 7.1616 7.2644 7.2644 7.4777 7.4777 7.6313 7.6313 7.7625 7.7625 7.8400 7.8400 7.9699 7.9699 8.0069 8.0069 8.0971 8.0971 8.1660 8.1660 8.2362 8.2362 8.2424 8.2424 8.3168 8.3168 8.3240 8.3240 8.3857 8.3857 8.5781 8.5781 10.0363 10.0363 11.5897 11.5897 12.0606 12.0606 13.0797 13.0797 13.4766 13.4766 13.9732 13.9732 15.4057 15.4057 k = 0.0357 0.0357-0.0000 ( 3459 PWs) bands (ev): -1.4303 -1.4303 0.9297 0.9297 4.1857 4.1857 6.1782 6.1782 6.4058 6.4058 6.4363 6.4363 6.6367 6.6367 6.6817 6.6817 6.8384 6.8384 7.1653 7.1653 7.2661 7.2661 7.4791 7.4791 7.6713 7.6713 7.7829 7.7829 7.8478 7.8478 7.9538 7.9538 8.0083 8.0083 8.1133 8.1133 8.1706 8.1706 8.2415 8.2415 8.2537 8.2537 8.3175 8.3175 8.3232 8.3232 8.3982 8.3982 8.5705 8.5705 9.9517 9.9517 11.6840 11.6840 12.1166 12.1166 12.9441 12.9441 13.4950 13.4950 13.9324 13.9324 15.4534 15.4534 k = 0.0268 0.0268-0.0000 ( 3463 PWs) bands (ev): -1.4400 -1.4400 0.9254 0.9254 4.1764 4.1764 6.1787 6.1787 6.4138 6.4138 6.4348 6.4348 6.6350 6.6350 6.6968 6.6968 6.8367 6.8367 7.1676 7.1676 7.2673 7.2673 7.4799 7.4799 7.7085 7.7085 7.7993 7.7993 7.8495 7.8495 7.9393 7.9393 8.0096 8.0096 8.1273 8.1273 8.1741 8.1741 8.2424 8.2424 8.2683 8.2683 8.3175 8.3175 8.3231 8.3231 8.4076 8.4076 8.5677 8.5677 9.8789 9.8789 11.7701 11.7701 12.1747 12.1747 12.8083 12.8083 13.5150 13.5150 13.8997 13.8997 15.4932 15.4932 k = 0.0179 0.0179-0.0000 ( 3459 PWs) bands (ev): -1.4469 -1.4469 0.9223 0.9223 4.1698 4.1698 6.1790 6.1790 6.4185 6.4185 6.4348 6.4348 6.6337 6.6337 6.7080 6.7080 6.8353 6.8353 7.1688 7.1688 7.2680 7.2680 7.4804 7.4804 7.7423 7.7423 7.8114 7.8114 7.8433 7.8433 7.9289 7.9289 8.0106 8.0106 8.1382 8.1382 8.1763 8.1763 8.2426 8.2426 8.2816 8.2816 8.3181 8.3181 8.3233 8.3233 8.4115 8.4115 8.5698 8.5698 9.8222 9.8222 11.8403 11.8403 12.2403 12.2403 12.6778 12.6778 13.5316 13.5316 13.8758 13.8758 15.5207 15.5207 k = 0.0089 0.0089-0.0000 ( 3457 PWs) bands (ev): -1.4510 -1.4510 0.9204 0.9204 4.1659 4.1659 6.1792 6.1792 6.4205 6.4205 6.4357 6.4357 6.6329 6.6329 6.7148 6.7148 6.8345 6.8345 7.1695 7.1695 7.2685 7.2685 7.4806 7.4806 7.7717 7.7717 7.8182 7.8182 7.8301 7.8301 7.9236 7.9236 8.0112 8.0112 8.1453 8.1453 8.1770 8.1770 8.2426 8.2426 8.2907 8.2907 8.3198 8.3198 8.3231 8.3231 8.4110 8.4110 8.5740 8.5740 9.7861 9.7861 11.8861 11.8861 12.3162 12.3162 12.5591 12.5591 13.5424 13.5424 13.8613 13.8613 15.5335 15.5335 k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -1.4524 -1.4524 0.9198 0.9198 4.1646 4.1646 6.1795 6.1795 6.4210 6.4210 6.4362 6.4362 6.6326 6.6326 6.7173 6.7173 6.8342 6.8342 7.1697 7.1697 7.2686 7.2686 7.4807 7.4807 7.7886 7.7886 7.8154 7.8154 7.8235 7.8235 7.9220 7.9220 8.0114 8.0114 8.1479 8.1479 8.1772 8.1772 8.2426 8.2426 8.2938 8.2938 8.3214 8.3214 8.3226 8.3226 8.4102 8.4102 8.5759 8.5759 9.7736 9.7736 11.9019 11.9019 12.3728 12.3728 12.4877 12.4877 13.5461 13.5461 13.8565 13.8565 15.5364 15.5364 k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -1.4524 -1.4524 0.9198 0.9198 4.1646 4.1646 6.1795 6.1795 6.4210 6.4210 6.4362 6.4362 6.6326 6.6326 6.7173 6.7173 6.8342 6.8342 7.1697 7.1697 7.2686 7.2686 7.4807 7.4807 7.7886 7.7886 7.8154 7.8154 7.8235 7.8235 7.9220 7.9220 8.0114 8.0114 8.1479 8.1479 8.1772 8.1772 8.2426 8.2426 8.2938 8.2938 8.3214 8.3214 8.3226 8.3226 8.4102 8.4102 8.5759 8.5759 9.7736 9.7736 11.9019 11.9019 12.3728 12.3728 12.4877 12.4877 13.5461 13.5461 13.8565 13.8565 15.5364 15.5364 k = 0.0000 0.0000 0.0126 ( 3445 PWs) bands (ev): -1.4510 -1.4510 0.9156 0.9156 4.1683 4.1683 6.1794 6.1794 6.4209 6.4209 6.4360 6.4360 6.6327 6.6327 6.7176 6.7176 6.8354 6.8354 7.1700 7.1700 7.2688 7.2688 7.4804 7.4804 7.7883 7.7883 7.8127 7.8127 7.8245 7.8245 7.9216 7.9216 8.0116 8.0116 8.1474 8.1474 8.1658 8.1658 8.2370 8.2370 8.3002 8.3002 8.3215 8.3215 8.3301 8.3301 8.4109 8.4109 8.5840 8.5840 9.7728 9.7728 11.8976 11.8976 12.3673 12.3673 12.4841 12.4841 13.5543 13.5543 13.8572 13.8572 15.5413 15.5413 k = 0.0000 0.0000 0.0252 ( 3457 PWs) bands (ev): -1.4469 -1.4469 0.9032 0.9032 4.1795 4.1795 6.1790 6.1790 6.4208 6.4208 6.4355 6.4355 6.6327 6.6327 6.7185 6.7185 6.8390 6.8390 7.1710 7.1710 7.2694 7.2694 7.4795 7.4795 7.7874 7.7874 7.8064 7.8064 7.8255 7.8255 7.9201 7.9201 8.0120 8.0120 8.1404 8.1404 8.1458 8.1458 8.2218 8.2218 8.3074 8.3074 8.3216 8.3216 8.3548 8.3548 8.4137 8.4137 8.6064 8.6064 9.7703 9.7703 11.8850 11.8850 12.3512 12.3512 12.4740 12.4740 13.5783 13.5783 13.8593 13.8593 15.5559 15.5559 k = 0.0000 0.0000 0.0378 ( 3457 PWs) bands (ev): -1.4401 -1.4401 0.8829 0.8829 4.1979 4.1979 6.1781 6.1781 6.4207 6.4207 6.4348 6.4348 6.6328 6.6328 6.7201 6.7201 6.8454 6.8454 7.1727 7.1727 7.2705 7.2705 7.4781 7.4781 7.7860 7.7860 7.7978 7.7978 7.8256 7.8256 7.9178 7.9178 8.0127 8.0127 8.1109 8.1109 8.1424 8.1424 8.2012 8.2012 8.3124 8.3124 8.3221 8.3221 8.3839 8.3839 8.4250 8.4250 8.6401 8.6401 9.7662 9.7662 11.8642 11.8642 12.3247 12.3247 12.4581 12.4581 13.6171 13.6171 13.8629 13.8629 15.5800 15.5800 k = 0.0000 0.0000 0.0504 ( 3469 PWs) bands (ev): -1.4306 -1.4306 0.8549 0.8549 4.2231 4.2231 6.1760 6.1760 6.4205 6.4205 6.4338 6.4338 6.6330 6.6330 6.7221 6.7221 6.8547 6.8547 7.1750 7.1750 7.2719 7.2719 7.4761 7.4761 7.7837 7.7837 7.7872 7.7872 7.8243 7.8243 7.9146 7.9146 8.0135 8.0135 8.0814 8.0814 8.1347 8.1347 8.1808 8.1808 8.3179 8.3179 8.3227 8.3227 8.3972 8.3972 8.4581 8.4581 8.6818 8.6818 9.7604 9.7604 11.8355 11.8355 12.2886 12.2886 12.4379 12.4379 13.6690 13.6690 13.8679 13.8679 15.6130 15.6130 k = 0.0000 0.0000 0.0630 ( 3461 PWs) bands (ev): -1.4184 -1.4184 0.8198 0.8198 4.2545 4.2545 6.1729 6.1729 6.4204 6.4204 6.4327 6.4327 6.6333 6.6333 6.7250 6.7250 6.8670 6.8670 7.1780 7.1780 7.2737 7.2737 7.4737 7.4737 7.7746 7.7746 7.7812 7.7812 7.8218 7.8218 7.9105 7.9105 8.0146 8.0146 8.0535 8.0535 8.1189 8.1189 8.1667 8.1667 8.3236 8.3236 8.3245 8.3245 8.4011 8.4011 8.5048 8.5048 8.7293 8.7293 9.7532 9.7532 11.7996 11.7996 12.2435 12.2435 12.4148 12.4148 13.7322 13.7322 13.8743 13.8743 15.6544 15.6544 k = 0.0000 0.0000 0.0756 ( 3461 PWs) bands (ev): -1.4036 -1.4036 0.7783 0.7783 4.2915 4.2915 6.1680 6.1680 6.4201 6.4201 6.4312 6.4312 6.6336 6.6336 6.7285 6.7285 6.8828 6.8828 7.1816 7.1816 7.2758 7.2758 7.4708 7.4708 7.7601 7.7601 7.7780 7.7780 7.8181 7.8181 7.9053 7.9053 8.0155 8.0155 8.0274 8.0274 8.0961 8.0961 8.1595 8.1595 8.3247 8.3247 8.3330 8.3330 8.4027 8.4027 8.5565 8.5565 8.7812 8.7812 9.7445 9.7445 11.7568 11.7568 12.1904 12.1904 12.3902 12.3902 13.8046 13.8046 13.8821 13.8821 15.7033 15.7033 k = 0.0000 0.0000 0.0882 ( 3469 PWs) bands (ev): -1.3860 -1.3860 0.7310 0.7310 4.3335 4.3335 6.1607 6.1607 6.4197 6.4197 6.4295 6.4295 6.6340 6.6340 6.7324 6.7324 6.9021 6.9021 7.1856 7.1856 7.2780 7.2780 7.4675 7.4675 7.7441 7.7441 7.7742 7.7742 7.8132 7.8132 7.8991 7.8991 8.0034 8.0034 8.0158 8.0158 8.0714 8.0714 8.1556 8.1556 8.3259 8.3259 8.3437 8.3437 8.4037 8.4037 8.6113 8.6113 8.8364 8.8364 9.7344 9.7344 11.7077 11.7077 12.1303 12.1303 12.3653 12.3653 13.8843 13.8843 13.8914 13.8914 15.7358 15.7358 k = 0.0000 0.0000 0.1008 ( 3473 PWs) bands (ev): -1.3658 -1.3658 0.6786 0.6786 4.3798 4.3798 6.1506 6.1506 6.4194 6.4194 6.4278 6.4278 6.6344 6.6344 6.7369 6.7369 6.9251 6.9251 7.1901 7.1901 7.2803 7.2803 7.4639 7.4639 7.7268 7.7268 7.7699 7.7699 7.8073 7.8073 7.8919 7.8919 7.9815 7.9815 8.0140 8.0140 8.0492 8.0492 8.1529 8.1529 8.3273 8.3273 8.3566 8.3566 8.4046 8.4046 8.6684 8.6684 8.8945 8.8945 9.7229 9.7229 11.6531 11.6531 12.0641 12.0641 12.3411 12.3411 13.9021 13.9021 13.9689 13.9689 15.6167 15.6167 k = 0.0000 0.0000 0.1134 ( 3485 PWs) bands (ev): -1.3429 -1.3429 0.6217 0.6217 4.4298 4.4298 6.1373 6.1373 6.4188 6.4188 6.4259 6.4259 6.6346 6.6346 6.7419 6.7419 6.9516 6.9516 7.1951 7.1951 7.2828 7.2828 7.4601 7.4601 7.7087 7.7087 7.7650 7.7650 7.8002 7.8002 7.8835 7.8835 7.9614 7.9614 8.0051 8.0051 8.0355 8.0355 8.1508 8.1508 8.3288 8.3288 8.3721 8.3721 8.4059 8.4059 8.7275 8.7275 8.9550 8.9550 9.7101 9.7101 11.5934 11.5934 11.9927 11.9927 12.3182 12.3182 13.9143 13.9143 14.0555 14.0555 15.4223 15.4223 k = 0.0000 0.0000 0.1260 ( 3485 PWs) bands (ev): -1.3175 -1.3175 0.5611 0.5611 4.4828 4.4828 6.1204 6.1204 6.4184 6.4184 6.4241 6.4241 6.6350 6.6350 6.7473 6.7473 6.9816 6.9816 7.2006 7.2006 7.2853 7.2853 7.4563 7.4563 7.6901 7.6901 7.7595 7.7595 7.7923 7.7923 7.8743 7.8743 7.9428 7.9428 7.9881 7.9881 8.0319 8.0319 8.1490 8.1490 8.3304 8.3304 8.3887 8.3887 8.4093 8.4093 8.7883 8.7883 9.0175 9.0175 9.6960 9.6960 11.5294 11.5294 11.9169 11.9169 12.2974 12.2974 13.9278 13.9278 14.1395 14.1395 15.2348 15.2348 k = 0.0000 0.0000 0.1386 ( 3485 PWs) bands (ev): -1.2894 -1.2894 0.4973 0.4973 4.5382 4.5382 6.0999 6.0999 6.4180 6.4180 6.4224 6.4224 6.6355 6.6355 6.7531 6.7531 7.0146 7.0146 7.2064 7.2064 7.2877 7.2877 7.4525 7.4525 7.6715 7.6715 7.7533 7.7533 7.7835 7.7835 7.8644 7.8644 7.9256 7.9256 7.9697 7.9697 8.0321 8.0321 8.1473 8.1473 8.3320 8.3320 8.3990 8.3990 8.4227 8.4227 8.8507 8.8507 9.0820 9.0820 9.6806 9.6806 11.4616 11.4616 11.8377 11.8377 12.2790 12.2790 13.9428 13.9428 14.2121 14.2121 15.0639 15.0639 k = 0.0000 0.0000 0.1512 ( 3473 PWs) bands (ev): -1.2588 -1.2588 0.4309 0.4309 4.5956 4.5956 6.0756 6.0756 6.4175 6.4175 6.4208 6.4208 6.6361 6.6361 6.7593 6.7593 7.0501 7.0501 7.2126 7.2126 7.2900 7.2900 7.4489 7.4489 7.6532 7.6532 7.7463 7.7463 7.7738 7.7738 7.8542 7.8542 7.9095 7.9095 7.9524 7.9524 8.0335 8.0335 8.1459 8.1459 8.3336 8.3336 8.4017 8.4017 8.4476 8.4476 8.9145 8.9145 9.1480 9.1480 9.6639 9.6639 11.3908 11.3908 11.7557 11.7557 12.2634 12.2634 13.9591 13.9591 14.2553 14.2553 14.9284 14.9284 k = 0.0000 0.0000 0.1638 ( 3473 PWs) bands (ev): -1.2257 -1.2257 0.3626 0.3626 4.6545 4.6545 6.0477 6.0477 6.4171 6.4171 6.4193 6.4193 6.6366 6.6366 6.7656 6.7656 7.0875 7.0875 7.2189 7.2189 7.2918 7.2918 7.4456 7.4456 7.6355 7.6355 7.7386 7.7386 7.7634 7.7634 7.8439 7.8439 7.8944 7.8944 7.9368 7.9368 8.0352 8.0352 8.1445 8.1445 8.3352 8.3352 8.4027 8.4027 8.4785 8.4785 8.9793 8.9793 9.2154 9.2154 9.6457 9.6457 11.3175 11.3175 11.6717 11.6717 12.2508 12.2508 13.9767 13.9767 14.2392 14.2392 14.8582 14.8582 k = 0.0000 0.0000 0.1764 ( 3477 PWs) bands (ev): -1.1902 -1.1902 0.2928 0.2928 4.7144 4.7144 6.0162 6.0162 6.4165 6.4165 6.4178 6.4178 6.6371 6.6371 6.7719 6.7719 7.1261 7.1261 7.2252 7.2252 7.2931 7.2931 7.4426 7.4426 7.6186 7.6186 7.7300 7.7300 7.7524 7.7524 7.8341 7.8341 7.8803 7.8803 7.9228 7.9228 8.0370 8.0370 8.1432 8.1432 8.3367 8.3367 8.4032 8.4032 8.5142 8.5142 9.0452 9.0452 9.2840 9.2840 9.6260 9.6260 11.2423 11.2423 11.5863 11.5863 12.2415 12.2415 13.9956 13.9956 14.1515 14.1515 14.8657 14.8657 k = 0.0000 0.0000 0.1891 ( 3493 PWs) bands (ev): -1.1522 -1.1522 0.2220 0.2220 4.7752 4.7752 5.9814 5.9814 6.4160 6.4160 6.4164 6.4164 6.6376 6.6376 6.7784 6.7784 7.1651 7.1651 7.2313 7.2313 7.2938 7.2938 7.4401 7.4401 7.6027 7.6027 7.7208 7.7208 7.7405 7.7405 7.8252 7.8252 7.8667 7.8667 7.9100 7.9100 8.0388 8.0388 8.1419 8.1419 8.3382 8.3382 8.4035 8.4035 8.5546 8.5546 9.1117 9.1117 9.3534 9.3534 9.6046 9.6046 11.1658 11.1658 11.5001 11.5001 12.2358 12.2358 14.0158 14.0158 14.0178 14.0178 14.9252 14.9252 k = 0.0000 0.0000 0.2017 ( 3493 PWs) bands (ev): -1.1120 -1.1120 0.1507 0.1507 4.8364 4.8364 5.9434 5.9434 6.4153 6.4153 6.4157 6.4157 6.6380 6.6380 6.7849 6.7849 7.2038 7.2038 7.2373 7.2373 7.2939 7.2939 7.4383 7.4383 7.5882 7.5882 7.7112 7.7112 7.7282 7.7282 7.8174 7.8174 7.8542 7.8542 7.8987 7.8987 8.0405 8.0405 8.1408 8.1408 8.3397 8.3397 8.4037 8.4037 8.5996 8.5996 9.1786 9.1786 9.4235 9.4235 9.5813 9.5813 11.0888 11.0888 11.4138 11.4138 12.2339 12.2339 13.8656 13.8656 14.0370 14.0370 15.0089 15.0089 k = 0.0000 0.0000 0.2143 ( 3497 PWs) bands (ev): -1.0695 -1.0695 0.0792 0.0792 4.8980 4.8980 5.9026 5.9026 6.4142 6.4142 6.4153 6.4153 6.6385 6.6385 6.7913 6.7913 7.2413 7.2413 7.2434 7.2434 7.2935 7.2935 7.4370 7.4370 7.5751 7.5751 7.7015 7.7015 7.7153 7.7153 7.8109 7.8109 7.8424 7.8424 7.8882 7.8882 8.0422 8.0422 8.1398 8.1398 8.3410 8.3410 8.4039 8.4039 8.6489 8.6489 9.2456 9.2456 9.4938 9.4938 9.5559 9.5559 11.0119 11.0119 11.3281 11.3281 12.2359 12.2359 13.7091 13.7091 14.0592 14.0592 15.0411 15.0411 k = 0.0000 0.0000 0.2269 ( 3497 PWs) bands (ev): -1.0249 -1.0249 0.0079 0.0079 4.9596 4.9596 5.8590 5.8590 6.4133 6.4133 6.4149 6.4149 6.6390 6.6390 6.7974 6.7974 7.2488 7.2488 7.2778 7.2778 7.2925 7.2925 7.4364 7.4364 7.5636 7.5636 7.6920 7.6920 7.7020 7.7020 7.8055 7.8055 7.8316 7.8316 7.8787 7.8787 8.0437 8.0437 8.1389 8.1389 8.3423 8.3423 8.4040 8.4040 8.7021 8.7021 9.3120 9.3120 9.5282 9.5282 9.5639 9.5639 10.9358 10.9358 11.2437 11.2437 12.2423 12.2423 13.5553 13.5553 14.0821 14.0821 14.9825 14.9825 k = 0.0000 0.0000 0.2395 ( 3489 PWs) bands (ev): -0.9784 -0.9784 -0.0626 -0.0626 5.0212 5.0212 5.8131 5.8131 6.4126 6.4126 6.4147 6.4147 6.6393 6.6393 6.8033 6.8033 7.2540 7.2540 7.2911 7.2911 7.3118 7.3118 7.4362 7.4362 7.5539 7.5539 7.6830 7.6830 7.6882 7.6882 7.8013 7.8013 7.8217 7.8217 7.8699 7.8699 8.0451 8.0451 8.1381 8.1381 8.3435 8.3435 8.4042 8.4042 8.7589 8.7589 9.3772 9.3772 9.4980 9.4980 9.6331 9.6331 10.8614 10.8614 11.1614 11.1614 12.2532 12.2532 13.4077 13.4077 14.1055 14.1055 14.9274 14.9274 k = 0.0000 0.0000 0.2521 ( 3497 PWs) bands (ev): -0.9302 -0.9302 -0.1320 -0.1320 5.0825 5.0825 5.7649 5.7649 6.4117 6.4117 6.4143 6.4143 6.6397 6.6397 6.8085 6.8085 7.2587 7.2587 7.2895 7.2895 7.3432 7.3432 7.4364 7.4364 7.5460 7.5460 7.6742 7.6742 7.6748 7.6748 7.7981 7.7981 7.8129 7.8129 7.8620 7.8620 8.0464 8.0464 8.1375 8.1375 8.3444 8.3444 8.4042 8.4042 8.8183 8.8183 9.4379 9.4379 9.4672 9.4672 9.7004 9.7004 10.7899 10.7899 11.0823 11.0823 12.2689 12.2689 13.2689 13.2689 14.1289 14.1289 14.8763 14.8763 k = 0.0000 0.0000 0.2647 ( 3501 PWs) bands (ev): -0.8808 -0.8808 -0.1997 -0.1997 5.1436 5.1436 5.7148 5.7148 6.4111 6.4111 6.4141 6.4141 6.6400 6.6400 6.8132 6.8132 7.2628 7.2628 7.2877 7.2877 7.3714 7.3714 7.4370 7.4370 7.5401 7.5401 7.6601 7.6601 7.6674 7.6674 7.7956 7.7956 7.8052 7.8052 7.8549 7.8549 8.0475 8.0475 8.1369 8.1369 8.3453 8.3453 8.4041 8.4041 8.8795 8.8795 9.4258 9.4258 9.5028 9.5028 9.7647 9.7647 10.7226 10.7226 11.0079 11.0079 12.2895 12.2895 13.1407 13.1407 14.1517 14.1517 14.8300 14.8300 k = 0.0000 0.0000 0.2773 ( 3497 PWs) bands (ev): -0.8307 -0.8307 -0.2649 -0.2649 5.2042 5.2042 5.6630 5.6630 6.4105 6.4105 6.4138 6.4138 6.6403 6.6403 6.8172 6.8172 7.2663 7.2663 7.2860 7.2860 7.3960 7.3960 7.4377 7.4377 7.5366 7.5366 7.6461 7.6461 7.6613 7.6613 7.7940 7.7940 7.7989 7.7989 7.8490 7.8490 8.0483 8.0483 8.1365 8.1365 8.3459 8.3459 8.4041 8.4041 8.9418 8.9418 9.3864 9.3864 9.5574 9.5574 9.8241 9.8241 10.6613 10.6613 10.9400 10.9400 12.3147 12.3147 13.0251 13.0251 14.1731 14.1731 14.7893 14.7893 k = 0.0000 0.0000 0.2899 ( 3493 PWs) bands (ev): -0.7814 -0.7814 -0.3261 -0.3261 5.2643 5.2643 5.6096 5.6096 6.4101 6.4101 6.4137 6.4137 6.6405 6.6405 6.8205 6.8205 7.2690 7.2690 7.2844 7.2844 7.4160 7.4160 7.4384 7.4384 7.5355 7.5355 7.6326 7.6326 7.6565 7.6565 7.7929 7.7929 7.7938 7.7938 7.8441 7.8441 8.0490 8.0490 8.1362 8.1362 8.3465 8.3465 8.4042 8.4042 9.0040 9.0040 9.3430 9.3430 9.6053 9.6053 9.8761 9.8761 10.6085 10.6085 10.8813 10.8813 12.3435 12.3435 12.9246 12.9246 14.1920 14.1920 14.7553 14.7553 k = 0.0000 0.0000 0.3025 ( 3488 PWs) bands (ev): -0.7356 -0.7356 -0.3805 -0.3805 5.3238 5.3238 5.5550 5.5550 6.4098 6.4098 6.4135 6.4135 6.6407 6.6407 6.8229 6.8229 7.2710 7.2710 7.2832 7.2832 7.4307 7.4307 7.4389 7.4389 7.5367 7.5367 7.6207 7.6207 7.6530 7.6530 7.7901 7.7901 7.7923 7.7923 7.8404 7.8404 8.0495 8.0495 8.1360 8.1360 8.3470 8.3470 8.4042 8.4042 9.0648 9.0648 9.2963 9.2963 9.6431 9.6431 9.9176 9.9176 10.5671 10.5671 10.8351 10.8351 12.3731 12.3731 12.8428 12.8428 14.2071 14.2071 14.7294 14.7294 k = 0.0000 0.0000 0.3151 ( 3472 PWs) bands (ev): -0.6994 -0.6994 -0.4217 -0.4217 5.3822 5.3822 5.4997 5.4997 6.4096 6.4096 6.4135 6.4135 6.6409 6.6409 6.8244 6.8244 7.2722 7.2722 7.2825 7.2825 7.4393 7.4393 7.4397 7.4397 7.5390 7.5390 7.6120 7.6120 7.6509 7.6509 7.7879 7.7879 7.7921 7.7921 7.8383 7.8383 8.0499 8.0499 8.1360 8.1360 8.3472 8.3472 8.4042 8.4042 9.1219 9.1219 9.2482 9.2482 9.6677 9.6677 9.9446 9.9446 10.5405 10.5405 10.8051 10.8051 12.3975 12.3975 12.7867 12.7867 14.2170 14.2170 14.7131 14.7131 k = 0.0000 0.0000 0.3277 ( 3472 PWs) bands (ev): -0.6847 -0.6847 -0.4382 -0.4382 5.4298 5.4298 5.4531 5.4531 6.4096 6.4096 6.4134 6.4134 6.6409 6.6409 6.8249 6.8249 7.2726 7.2726 7.2822 7.2822 7.4394 7.4394 7.4426 7.4426 7.5402 7.5402 7.6087 7.6087 7.6502 7.6502 7.7872 7.7872 7.7920 7.7920 7.8375 7.8375 8.0500 8.0500 8.1359 8.1359 8.3473 8.3473 8.4042 8.4042 9.1581 9.1581 9.2149 9.2149 9.6762 9.6762 9.9541 9.9541 10.5312 10.5312 10.7947 10.7947 12.4075 12.4075 12.7661 12.7661 14.2205 14.2205 14.7075 14.7075 k = 0.0000 0.0000 0.3277 ( 3472 PWs) bands (ev): -0.6847 -0.6847 -0.4382 -0.4382 5.4298 5.4298 5.4531 5.4531 6.4096 6.4096 6.4134 6.4134 6.6409 6.6409 6.8249 6.8249 7.2726 7.2726 7.2822 7.2822 7.4394 7.4394 7.4426 7.4426 7.5402 7.5402 7.6087 7.6087 7.6502 7.6502 7.7872 7.7872 7.7920 7.7920 7.8375 7.8375 8.0500 8.0500 8.1359 8.1359 8.3473 8.3473 8.4042 8.4042 9.1581 9.1581 9.2149 9.2149 9.6762 9.6762 9.9541 9.9541 10.5312 10.5312 10.7947 10.7947 12.4075 12.4075 12.7661 12.7661 14.2205 14.2205 14.7075 14.7075 k = 0.0000 0.0125 0.3277 ( 3478 PWs) bands (ev): -0.6835 -0.6835 -0.4370 -0.4370 5.4293 5.4293 5.4530 5.4530 6.4086 6.4086 6.4128 6.4128 6.6411 6.6411 6.8237 6.8237 7.2722 7.2722 7.2817 7.2817 7.4371 7.4371 7.4430 7.4430 7.5361 7.5361 7.6075 7.6075 7.6460 7.6460 7.7865 7.7865 7.7929 7.7929 7.8429 7.8429 8.0503 8.0503 8.1359 8.1359 8.3472 8.3472 8.4039 8.4039 9.1602 9.1602 9.2132 9.2132 9.6737 9.6737 9.9509 9.9509 10.5320 10.5320 10.7947 10.7947 12.4123 12.4123 12.7753 12.7753 14.2261 14.2261 14.7140 14.7140 k = 0.0000 0.0250 0.3277 ( 3482 PWs) bands (ev): -0.6799 -0.6799 -0.4333 -0.4333 5.4278 5.4278 5.4527 5.4527 6.4049 6.4049 6.4117 6.4117 6.6417 6.6417 6.8201 6.8201 7.2711 7.2711 7.2802 7.2802 7.4312 7.4312 7.4430 7.4430 7.5249 7.5249 7.6042 7.6042 7.6344 7.6344 7.7807 7.7807 7.8010 7.8010 7.8562 7.8562 8.0513 8.0513 8.1362 8.1362 8.3470 8.3470 8.4028 8.4028 9.1664 9.1664 9.2082 9.2082 9.6649 9.6649 9.9432 9.9432 10.5341 10.5341 10.7947 10.7947 12.4263 12.4263 12.8021 12.8021 14.2430 14.2430 14.7334 14.7334 k = 0.0000 0.0375 0.3277 ( 3480 PWs) bands (ev): -0.6739 -0.6739 -0.4271 -0.4271 5.4251 5.4251 5.4522 5.4522 6.3982 6.3982 6.4105 6.4105 6.6428 6.6428 6.8140 6.8140 7.2687 7.2687 7.2778 7.2778 7.4211 7.4211 7.4420 7.4420 7.5098 7.5098 7.5970 7.5970 7.6199 7.6199 7.7732 7.7732 7.8131 7.8131 7.8730 7.8730 8.0531 8.0531 8.1369 8.1369 8.3467 8.3467 8.4013 8.4013 9.1764 9.1764 9.2002 9.2002 9.6469 9.6469 9.9357 9.9357 10.5377 10.5377 10.7952 10.7952 12.4489 12.4489 12.8442 12.8442 14.2719 14.2719 14.7658 14.7658 k = 0.0000 0.0500 0.3277 ( 3470 PWs) bands (ev): -0.6655 -0.6655 -0.4185 -0.4185 5.4212 5.4212 5.4515 5.4515 6.3884 6.3884 6.4090 6.4090 6.6443 6.6443 6.8055 6.8055 7.2637 7.2637 7.2750 7.2750 7.4062 7.4062 7.4401 7.4401 7.4949 7.4949 7.5793 7.5793 7.6111 7.6111 7.7650 7.7650 7.8266 7.8266 7.8911 7.8911 8.0555 8.0555 8.1379 8.1379 8.3462 8.3462 8.3991 8.3991 9.1848 9.1848 9.1943 9.1943 9.6163 9.6163 9.9343 9.9343 10.5427 10.5427 10.7967 10.7967 12.4789 12.4789 12.8983 12.8983 14.3132 14.3132 14.8111 14.8111 k = 0.0000 0.0625 0.3277 ( 3470 PWs) bands (ev): -0.6547 -0.6547 -0.4075 -0.4075 5.4157 5.4157 5.4500 5.4500 6.3755 6.3755 6.4073 6.4073 6.6461 6.6461 6.7941 6.7941 7.2541 7.2541 7.2722 7.2722 7.3875 7.3875 7.4370 7.4370 7.4830 7.4830 7.5529 7.5529 7.6079 7.6079 7.7564 7.7564 7.8400 7.8400 7.9093 7.9093 8.0585 8.0585 8.1393 8.1393 8.3453 8.3453 8.3963 8.3963 9.1730 9.1730 9.2081 9.2081 9.5730 9.5730 9.9428 9.9428 10.5489 10.5489 10.8000 10.8000 12.5152 12.5152 12.9607 12.9607 14.3678 14.3678 14.8692 14.8692 k = 0.0000 0.0750 0.3277 ( 3474 PWs) bands (ev): -0.6416 -0.6416 -0.3941 -0.3941 5.4081 5.4081 5.4478 5.4478 6.3596 6.3596 6.4054 6.4054 6.6484 6.6484 6.7798 6.7798 7.2383 7.2383 7.2696 7.2696 7.3685 7.3685 7.4326 7.4326 7.4742 7.4742 7.5226 7.5226 7.6063 7.6063 7.7477 7.7477 7.8520 7.8520 7.9269 7.9269 8.0621 8.0621 8.1413 8.1413 8.3440 8.3440 8.3928 8.3928 9.1563 9.1563 9.2247 9.2247 9.5207 9.5207 9.9617 9.9617 10.5564 10.5564 10.8056 10.8056 12.5562 12.5562 13.0271 13.0271 14.4359 14.4359 14.9396 14.9396 k = 0.0000 0.0875 0.3277 ( 3474 PWs) bands (ev): -0.6261 -0.6261 -0.3783 -0.3783 5.3981 5.3981 5.4446 5.4446 6.3409 6.3409 6.4032 6.4032 6.6510 6.6510 6.7624 6.7624 7.2160 7.2160 7.2668 7.2668 7.3521 7.3521 7.4267 7.4267 7.4673 7.4673 7.4907 7.4907 7.6053 7.6053 7.7393 7.7393 7.8622 7.8622 7.9436 7.9436 8.0663 8.0663 8.1437 8.1437 8.3423 8.3423 8.3890 8.3890 9.1372 9.1372 9.2370 9.2370 9.4679 9.4679 9.9901 9.9901 10.5652 10.5652 10.8142 10.8142 12.6005 12.6005 13.0942 13.0942 14.5172 14.5172 15.0212 15.0212 k = 0.0000 0.1000 0.3277 ( 3478 PWs) bands (ev): -0.6083 -0.6083 -0.3602 -0.3602 5.3849 5.3849 5.4400 5.4400 6.3196 6.3196 6.4008 6.4008 6.6538 6.6538 6.7418 6.7418 7.1882 7.1882 7.2635 7.2635 7.3394 7.3394 7.4192 7.4192 7.4525 7.4525 7.4673 7.4673 7.6044 7.6044 7.7317 7.7317 7.8701 7.8701 7.9590 7.9590 8.0710 8.0710 8.1467 8.1467 8.3402 8.3402 8.3847 8.3847 9.1161 9.1161 9.2336 9.2336 9.4292 9.4292 10.0263 10.0263 10.5752 10.5752 10.8261 10.8261 12.6468 12.6468 13.1589 13.1589 14.6099 14.6099 15.1112 15.1112 k = 0.0000 0.1125 0.3277 ( 3480 PWs) bands (ev): -0.5882 -0.5882 -0.3397 -0.3397 5.3677 5.3677 5.4336 5.4336 6.2962 6.2962 6.3982 6.3982 6.6567 6.6567 6.7184 6.7184 7.1573 7.1573 7.2598 7.2598 7.3294 7.3294 7.4102 7.4102 7.4202 7.4202 7.4621 7.4621 7.6037 7.6037 7.7253 7.7253 7.8761 7.8761 7.9730 7.9730 8.0762 8.0762 8.1502 8.1502 8.3375 8.3375 8.3801 8.3801 9.0932 9.0932 9.2013 9.2013 9.4207 9.4207 10.0694 10.0694 10.5866 10.5866 10.8417 10.8417 12.6941 12.6941 13.2194 13.2194 14.7096 14.7096 15.2000 15.2000 k = 0.0000 0.1250 0.3277 ( 3488 PWs) bands (ev): -0.5658 -0.5658 -0.3170 -0.3170 5.3459 5.3459 5.4248 5.4248 6.2712 6.2712 6.3955 6.3955 6.6582 6.6582 6.6933 6.6933 7.1256 7.1256 7.2556 7.2556 7.3205 7.3205 7.3858 7.3858 7.4009 7.4009 7.4591 7.4591 7.6032 7.6032 7.7205 7.7205 7.8801 7.8801 7.9856 7.9856 8.0817 8.0817 8.1540 8.1540 8.3343 8.3343 8.3753 8.3753 9.0689 9.0689 9.1456 9.1456 9.4389 9.4389 10.1183 10.1183 10.5994 10.5994 10.8611 10.8611 12.7414 12.7414 13.2747 13.2747 14.8077 14.8077 15.2565 15.2565 k = 0.0000 0.1375 0.3277 ( 3482 PWs) bands (ev): -0.5412 -0.5412 -0.2920 -0.2920 5.3184 5.3184 5.4131 5.4131 6.2459 6.2459 6.3927 6.3927 6.6493 6.6493 6.6762 6.6762 7.0951 7.0951 7.2507 7.2507 7.3101 7.3101 7.3541 7.3541 7.3901 7.3901 7.4568 7.4568 7.6031 7.6031 7.7175 7.7175 7.8822 7.8822 7.9968 7.9968 8.0876 8.0876 8.1582 8.1582 8.3307 8.3307 8.3702 8.3702 9.0434 9.0434 9.0805 9.0805 9.4716 9.4716 10.1725 10.1725 10.6138 10.6138 10.8843 10.8843 12.7879 12.7879 13.3243 13.3243 14.8879 14.8879 15.2628 15.2628 k = 0.0000 0.1500 0.3277 ( 3482 PWs) bands (ev): -0.5144 -0.5144 -0.2649 -0.2649 5.2844 5.2844 5.3977 5.3977 6.2211 6.2211 6.3900 6.3900 6.6216 6.6216 6.6757 6.6757 7.0666 7.0666 7.2451 7.2451 7.2927 7.2927 7.3297 7.3297 7.3785 7.3785 7.4548 7.4548 7.6035 7.6035 7.7163 7.7163 7.8827 7.8827 8.0065 8.0065 8.0937 8.0937 8.1624 8.1624 8.3265 8.3265 8.3650 8.3650 9.0103 9.0103 9.0201 9.0201 9.5124 9.5124 10.2313 10.2313 10.6300 10.6300 10.9114 10.9114 12.8330 12.8330 13.3686 13.3686 14.9274 14.9274 15.2615 15.2615 k = 0.0000 0.1625 0.3277 ( 3480 PWs) bands (ev): -0.4854 -0.4854 -0.2358 -0.2358 5.2433 5.2433 5.3778 5.3778 6.1979 6.1979 6.3872 6.3872 6.5881 6.5881 6.6796 6.6796 7.0409 7.0409 7.2376 7.2376 7.2658 7.2658 7.3160 7.3160 7.3665 7.3665 7.4532 7.4532 7.6048 7.6048 7.7168 7.7168 7.8818 7.8818 8.0147 8.0147 8.1000 8.1000 8.1668 8.1668 8.3217 8.3217 8.3598 8.3598 8.9463 8.9463 8.9914 8.9914 9.5583 9.5583 10.2943 10.2943 10.6481 10.6481 10.9421 10.9421 12.8763 12.8763 13.4081 13.4081 14.9158 14.9158 15.2649 15.2649 k = 0.0000 0.1750 0.3277 ( 3482 PWs) bands (ev): -0.4543 -0.4543 -0.2046 -0.2046 5.1946 5.1946 5.3527 5.3527 6.1775 6.1775 6.3845 6.3845 6.5532 6.5532 6.6847 6.6847 7.0180 7.0180 7.2215 7.2215 7.2422 7.2422 7.3071 7.3071 7.3540 7.3540 7.4517 7.4517 7.6071 7.6071 7.7188 7.7188 7.8797 7.8797 8.0216 8.0216 8.1066 8.1066 8.1711 8.1711 8.3165 8.3165 8.3546 8.3546 8.8837 8.8837 8.9641 8.9641 9.6082 9.6082 10.3611 10.3611 10.6681 10.6681 10.9764 10.9764 12.9174 12.9174 13.4431 13.4431 14.8682 14.8682 15.2499 15.2499 k = 0.0000 0.1875 0.3277 ( 3470 PWs) bands (ev): -0.4212 -0.4212 -0.1714 -0.1714 5.1382 5.1382 5.3216 5.3216 6.1607 6.1607 6.3820 6.3820 6.5186 6.5186 6.6904 6.6904 6.9983 6.9983 7.1909 7.1909 7.2314 7.2314 7.2997 7.2997 7.3412 7.3412 7.4505 7.4505 7.6106 7.6106 7.7222 7.7222 7.8766 7.8766 8.0272 8.0272 8.1133 8.1133 8.1753 8.1753 8.3108 8.3108 8.3495 8.3495 8.8250 8.8250 8.9365 8.9365 9.6614 9.6614 10.4314 10.4314 10.6902 10.6902 11.0141 11.0141 12.9560 12.9560 13.4743 13.4743 14.8016 14.8016 15.2024 15.2024 k = 0.0000 0.2000 0.3277 ( 3466 PWs) bands (ev): -0.3861 -0.3861 -0.1365 -0.1365 5.0744 5.0744 5.2836 5.2836 6.1478 6.1478 6.3796 6.3796 6.4853 6.4853 6.6966 6.6966 6.9813 6.9813 7.1565 7.1565 7.2232 7.2232 7.2926 7.2926 7.3282 7.3282 7.4495 7.4495 7.6153 7.6153 7.7267 7.7267 7.8726 7.8726 8.0315 8.0315 8.1200 8.1200 8.1792 8.1792 8.3047 8.3047 8.3445 8.3445 8.7707 8.7707 8.9088 8.9088 9.7175 9.7175 10.5047 10.5047 10.7146 10.7146 11.0551 11.0551 12.9916 12.9916 13.5017 13.5017 14.7255 14.7255 15.1275 15.1275 k = 0.0000 0.2125 0.3277 ( 3462 PWs) bands (ev): -0.3491 -0.3491 -0.0999 -0.0999 5.0037 5.0037 5.2384 5.2384 6.1390 6.1390 6.3775 6.3775 6.4549 6.4549 6.7032 6.7032 6.9669 6.9669 7.1215 7.1215 7.2152 7.2152 7.2853 7.2853 7.3153 7.3153 7.4486 7.4486 7.6211 7.6211 7.7321 7.7321 7.8682 7.8682 8.0346 8.0346 8.1268 8.1268 8.1828 8.1828 8.2982 8.2982 8.3397 8.3397 8.7209 8.7209 8.8810 8.8810 9.7762 9.7762 10.5807 10.5807 10.7414 10.7414 11.0993 11.0993 13.0238 13.0238 13.5256 13.5256 14.6447 14.6447 15.0354 15.0354 k = 0.0000 0.2250 0.3277 ( 3466 PWs) bands (ev): -0.3103 -0.3103 -0.0616 -0.0616 4.9271 4.9271 5.1856 5.1856 6.1343 6.1343 6.3754 6.3754 6.4281 6.4281 6.7101 6.7101 6.9549 6.9549 7.0866 7.0866 7.2067 7.2067 7.2775 7.2775 7.3030 7.3030 7.4477 7.4477 7.6280 7.6280 7.7383 7.7383 7.8633 7.8633 8.0366 8.0366 8.1335 8.1335 8.1859 8.1859 8.2912 8.2912 8.3350 8.3350 8.6755 8.6755 8.8532 8.8532 9.8373 9.8373 10.6586 10.6586 10.7711 10.7711 11.1464 11.1464 13.0519 13.0519 13.5457 13.5457 14.5622 14.5622 14.9344 14.9344 k = 0.0000 0.2375 0.3277 ( 3466 PWs) bands (ev): -0.2698 -0.2698 -0.0220 -0.0220 4.8456 4.8456 5.1253 5.1253 6.1334 6.1334 6.3735 6.3735 6.4059 6.4059 6.7175 6.7175 6.9451 6.9451 7.0520 7.0520 7.1978 7.1978 7.2684 7.2684 7.2922 7.2922 7.4467 7.4467 7.6359 7.6359 7.7452 7.7452 7.8584 7.8584 8.0376 8.0376 8.1402 8.1402 8.1887 8.1887 8.2839 8.2839 8.3306 8.3306 8.6344 8.6344 8.8256 8.8256 9.9005 9.9005 10.7362 10.7362 10.8057 10.8057 11.1965 11.1965 13.0753 13.0753 13.5613 13.5613 14.4806 14.4806 14.8306 14.8306 k = 0.0000 0.2500 0.3277 ( 3462 PWs) bands (ev): -0.2276 -0.2276 0.0189 0.0189 4.7602 4.7602 5.0578 5.0578 6.1360 6.1360 6.3709 6.3709 6.3893 6.3893 6.7252 6.7252 6.9372 6.9372 7.0178 7.0178 7.1883 7.1883 7.2574 7.2574 7.2835 7.2835 7.4455 7.4455 7.6448 7.6448 7.7526 7.7526 7.8534 7.8534 8.0376 8.0376 8.1468 8.1468 8.1910 8.1910 8.2765 8.2765 8.3265 8.3265 8.5974 8.5974 8.7980 8.7980 9.9659 9.9659 10.8047 10.8047 10.8538 10.8538 11.2492 11.2492 13.0928 13.0928 13.5715 13.5715 14.4022 14.4022 14.7279 14.7279 k = 0.0000 0.2625 0.3277 ( 3458 PWs) bands (ev): -0.1840 -0.1840 0.0609 0.0609 4.6720 4.6720 4.9840 4.9840 6.1415 6.1415 6.3659 6.3659 6.3800 6.3800 6.7331 6.7331 6.9311 6.9311 6.9842 6.9842 7.1783 7.1783 7.2446 7.2446 7.2770 7.2770 7.4440 7.4440 7.6544 7.6544 7.7604 7.7604 7.8488 7.8488 8.0367 8.0367 8.1531 8.1531 8.1926 8.1926 8.2690 8.2690 8.3225 8.3225 8.5642 8.5642 8.7708 8.7708 10.0332 10.0332 10.8526 10.8526 10.9265 10.9265 11.3045 11.3045 13.1032 13.1032 13.5746 13.5746 14.3296 14.3296 14.6300 14.6300 k = 0.0000 0.2750 0.3277 ( 3462 PWs) bands (ev): -0.1390 -0.1390 0.1038 0.1038 4.5820 4.5820 4.9045 4.9045 6.1496 6.1496 6.3595 6.3595 6.3772 6.3772 6.7413 6.7413 6.9266 6.9266 6.9513 6.9513 7.1676 7.1676 7.2309 7.2309 7.2719 7.2719 7.4418 7.4418 7.6647 7.6647 7.7684 7.7684 7.8447 7.8447 8.0348 8.0348 8.1592 8.1592 8.1936 8.1936 8.2615 8.2615 8.3187 8.3187 8.5346 8.5346 8.7438 8.7438 10.1023 10.1023 10.8929 10.8929 11.0106 11.0106 11.3623 11.3623 13.1052 13.1052 13.5683 13.5683 14.2655 14.2655 14.5397 14.5397 k = 0.0000 0.2875 0.3277 ( 3448 PWs) bands (ev): -0.0928 -0.0928 0.1473 0.1473 4.4913 4.4913 4.8205 4.8205 6.1600 6.1600 6.3552 6.3552 6.3769 6.3769 6.7499 6.7499 6.9186 6.9186 6.9240 6.9240 7.1566 7.1566 7.2168 7.2168 7.2678 7.2678 7.4391 7.4391 7.6756 7.6756 7.7763 7.7763 7.8415 7.8415 8.0322 8.0322 8.1651 8.1651 8.1938 8.1938 8.2542 8.2542 8.3152 8.3152 8.5083 8.5083 8.7171 8.7171 10.1733 10.1733 10.9329 10.9329 11.0985 11.0985 11.4223 11.4223 13.0973 13.0973 13.5501 13.5501 14.2127 14.2127 14.4600 14.4600 k = 0.0000 0.3000 0.3277 ( 3448 PWs) bands (ev): -0.0455 -0.0455 0.1912 0.1912 4.4008 4.4008 4.7331 4.7331 6.1721 6.1721 6.3534 6.3534 6.3778 6.3778 6.7587 6.7587 6.8876 6.8876 6.9216 6.9216 7.1450 7.1450 7.2024 7.2024 7.2644 7.2644 7.4354 7.4354 7.6869 7.6869 7.7839 7.7839 7.8395 7.8395 8.0290 8.0290 8.1706 8.1706 8.1933 8.1933 8.2473 8.2473 8.3118 8.3118 8.4850 8.4850 8.6909 8.6909 10.2458 10.2458 10.9741 10.9741 11.1884 11.1884 11.4844 11.4844 13.0782 13.0782 13.5179 13.5179 14.1734 14.1734 14.3932 14.3932 k = 0.0000 0.3125 0.3277 ( 3452 PWs) bands (ev): 0.0026 0.0026 0.2350 0.2350 4.3113 4.3113 4.6431 4.6431 6.1857 6.1857 6.3543 6.3543 6.3795 6.3795 6.7675 6.7675 6.8571 6.8571 6.9207 6.9207 7.1331 7.1331 7.1881 7.1881 7.2616 7.2616 7.4309 7.4309 7.6986 7.6986 7.7908 7.7908 7.8392 7.8392 8.0251 8.0251 8.1756 8.1756 8.1917 8.1917 8.2410 8.2410 8.3086 8.3086 8.4645 8.4645 8.6650 8.6650 10.3199 10.3199 11.0169 11.0169 11.2794 11.2794 11.5484 11.5484 13.0475 13.0475 13.4707 13.4707 14.1486 14.1486 14.3410 14.3410 k = 0.0000 0.3250 0.3277 ( 3462 PWs) bands (ev): 0.0512 0.0512 0.2786 0.2786 4.2236 4.2236 4.5519 4.5519 6.2004 6.2004 6.3574 6.3574 6.3818 6.3818 6.7759 6.7759 6.8280 6.8280 6.9207 6.9207 7.1209 7.1209 7.1740 7.1740 7.2591 7.2591 7.4253 7.4253 7.7105 7.7105 7.7964 7.7964 7.8410 7.8410 8.0206 8.0206 8.1797 8.1797 8.1894 8.1894 8.2358 8.2358 8.3056 8.3056 8.4466 8.4466 8.6396 8.6396 10.3955 10.3955 11.0614 11.0614 11.3710 11.3710 11.6139 11.6139 13.0053 13.0053 13.4095 13.4095 14.1373 14.1373 14.3036 14.3036 k = 0.0000 0.3375 0.3277 ( 3466 PWs) bands (ev): 0.1003 0.1003 0.3215 0.3215 4.1387 4.1387 4.4602 4.4602 6.2160 6.2160 6.3621 6.3621 6.3851 6.3851 6.7809 6.7809 6.8037 6.8037 6.9215 6.9215 7.1086 7.1086 7.1600 7.1600 7.2572 7.2572 7.4188 7.4188 7.7226 7.7226 7.8008 7.8008 7.8452 7.8452 8.0157 8.0157 8.1816 8.1816 8.1874 8.1874 8.2317 8.2317 8.3026 8.3026 8.4312 8.4312 8.6149 8.6149 10.4724 10.4724 11.1075 11.1075 11.4627 11.4627 11.6808 11.6808 12.9526 12.9526 13.3367 13.3367 14.1376 14.1376 14.2804 14.2804 k = 0.0000 0.3500 0.3277 ( 3454 PWs) bands (ev): 0.1494 0.1494 0.3633 0.3633 4.0573 4.0573 4.3690 4.3690 6.2322 6.2322 6.3681 6.3681 6.3891 6.3891 6.7652 6.7652 6.8013 6.8013 6.9231 6.9231 7.0963 7.0963 7.1465 7.1465 7.2559 7.2559 7.4115 7.4115 7.7348 7.7348 7.8041 7.8041 7.8514 7.8514 8.0104 8.0104 8.1788 8.1788 8.1884 8.1884 8.2289 8.2289 8.2998 8.2998 8.4180 8.4180 8.5909 8.5909 10.5506 10.5506 11.1552 11.1552 11.5539 11.5539 11.7487 11.7487 12.8912 12.8912 13.2553 13.2553 14.1471 14.1471 14.2695 14.2695 k = 0.0000 0.3625 0.3277 ( 3454 PWs) bands (ev): 0.1983 0.1983 0.4035 0.4035 3.9802 3.9802 4.2793 4.2793 6.2488 6.2488 6.3747 6.3747 6.3939 6.3939 6.7397 6.7397 6.8098 6.8098 6.9253 6.9253 7.0842 7.0842 7.1332 7.1332 7.2549 7.2549 7.4031 7.4031 7.7468 7.7468 7.8067 7.8067 7.8590 7.8590 8.0047 8.0047 8.1738 8.1738 8.1897 8.1897 8.2277 8.2277 8.2970 8.2970 8.4069 8.4069 8.5675 8.5675 10.6299 10.6299 11.2042 11.2042 11.6438 11.6438 11.8171 11.8171 12.8232 12.8232 13.1680 13.1680 14.1636 14.1636 14.2687 14.2687 k = 0.0000 0.3750 0.3277 ( 3450 PWs) bands (ev): 0.2465 0.2465 0.4416 0.4416 3.9081 3.9081 4.1918 4.1918 6.2655 6.2655 6.3817 6.3817 6.3996 6.3996 6.7139 6.7139 6.8196 6.8196 6.9280 6.9280 7.0723 7.0723 7.1203 7.1203 7.2544 7.2544 7.3939 7.3939 7.7586 7.7586 7.8091 7.8091 7.8674 7.8674 7.9988 7.9988 8.1682 8.1682 8.1900 8.1900 8.2278 8.2278 8.2943 8.2943 8.3977 8.3977 8.5451 8.5451 10.7101 10.7101 11.2542 11.2542 11.7316 11.7316 11.8857 11.8857 12.7508 12.7508 13.0771 13.0771 14.1853 14.1853 14.2756 14.2756 k = 0.0000 0.3875 0.3277 ( 3452 PWs) bands (ev): 0.2938 0.2938 0.4771 0.4771 3.8418 3.8418 4.1075 4.1075 6.2822 6.2822 6.3885 6.3885 6.4061 6.4061 6.6889 6.6889 6.8299 6.8299 6.9310 6.9310 7.0607 7.0607 7.1077 7.1077 7.2544 7.2544 7.3839 7.3839 7.7700 7.7700 7.8116 7.8116 7.8761 7.8761 7.9926 7.9926 8.1627 8.1627 8.1891 8.1891 8.2292 8.2292 8.2915 8.2915 8.3902 8.3902 8.5235 8.5235 10.7911 10.7911 11.3046 11.3046 11.8163 11.8163 11.9537 11.9537 12.6763 12.6763 12.9845 12.9845 14.2105 14.2105 14.2881 14.2881 k = 0.0000 0.4000 0.3277 ( 3454 PWs) bands (ev): 0.3396 0.3396 0.5094 0.5094 3.7821 3.7821 4.0271 4.0271 6.2986 6.2986 6.3948 6.3948 6.4135 6.4135 6.6647 6.6647 6.8405 6.8405 6.9342 6.9342 7.0498 7.0498 7.0955 7.0955 7.2550 7.2550 7.3733 7.3733 7.7809 7.7809 7.8142 7.8142 7.8848 7.8848 7.9862 7.9862 8.1575 8.1575 8.1870 8.1870 8.2315 8.2315 8.2888 8.2888 8.3845 8.3845 8.5030 8.5030 10.8726 10.8726 11.3549 11.3549 11.8963 11.8963 12.0205 12.0205 12.6022 12.6022 12.8918 12.8918 14.2378 14.2378 14.3044 14.3044 k = 0.0000 0.4125 0.3277 ( 3446 PWs) bands (ev): 0.3836 0.3836 0.5379 0.5379 3.7297 3.7297 3.9513 3.9513 6.3145 6.3145 6.4003 6.4003 6.4218 6.4218 6.6415 6.6415 6.8512 6.8512 6.9373 6.9373 7.0397 7.0397 7.0839 7.0839 7.2564 7.2564 7.3624 7.3624 7.7912 7.7912 7.8172 7.8172 7.8933 7.8933 7.9798 7.9798 8.1531 8.1531 8.1841 8.1841 8.2345 8.2345 8.2859 8.2859 8.3803 8.3803 8.4837 8.4837 10.9544 10.9544 11.4037 11.4037 11.9697 11.9697 12.0852 12.0852 12.5313 12.5313 12.8003 12.8003 14.2660 14.2660 14.3228 14.3228 k = 0.0000 0.4250 0.3277 ( 3450 PWs) bands (ev): 0.4250 0.4250 0.5620 0.5620 3.6853 3.6853 3.8811 3.8811 6.3297 6.3297 6.4046 6.4046 6.4311 6.4311 6.6192 6.6192 6.8620 6.8620 6.9401 6.9401 7.0306 7.0306 7.0727 7.0727 7.2584 7.2584 7.3512 7.3512 7.8006 7.8006 7.8202 7.8202 7.9012 7.9012 7.9734 7.9734 8.1495 8.1495 8.1805 8.1805 8.2378 8.2378 8.2830 8.2830 8.3776 8.3776 8.4658 8.4658 11.0360 11.0360 11.4495 11.4495 12.0339 12.0339 12.1466 12.1466 12.4673 12.4673 12.7115 12.7115 14.2936 14.2936 14.3419 14.3419 k = 0.0000 0.4375 0.3277 ( 3450 PWs) bands (ev): 0.4636 0.4636 0.5813 0.5813 3.6495 3.6495 3.8170 3.8170 6.3441 6.3441 6.4076 6.4076 6.4412 6.4412 6.5979 6.5979 6.8728 6.8728 6.9420 6.9420 7.0230 7.0230 7.0621 7.0621 7.2613 7.2613 7.3400 7.3400 7.8091 7.8091 7.8232 7.8232 7.9086 7.9086 7.9670 7.9670 8.1472 8.1472 8.1764 8.1764 8.2415 8.2415 8.2799 8.2799 8.3763 8.3763 8.4492 8.4492 11.1169 11.1169 11.4894 11.4894 12.0855 12.0855 12.2033 12.2033 12.4148 12.4148 12.6268 12.6268 14.3192 14.3192 14.3602 14.3602 k = 0.0000 0.4500 0.3277 ( 3438 PWs) bands (ev): 0.4985 0.4985 0.5953 0.5953 3.6230 3.6230 3.7599 3.7599 6.3574 6.3574 6.4090 6.4090 6.4524 6.4524 6.5779 6.5779 6.8836 6.8836 6.9425 6.9425 7.0175 7.0175 7.0522 7.0522 7.2651 7.2651 7.3290 7.3290 7.8164 7.8164 7.8261 7.8261 7.9153 7.9153 7.9609 7.9609 8.1462 8.1462 8.1720 8.1720 8.2455 8.2455 8.2768 8.2768 8.3764 8.3764 8.4343 8.4343 11.1962 11.1962 11.5197 11.5197 12.1217 12.1217 12.2528 12.2528 12.3787 12.3787 12.5488 12.5488 14.3402 14.3402 14.3756 14.3756 k = 0.0000 0.4625 0.3277 ( 3442 PWs) bands (ev): 0.5294 0.5294 0.6036 0.6036 3.6060 3.6060 3.7106 3.7106 6.3695 6.3695 6.4087 6.4087 6.4645 6.4645 6.5586 6.5586 6.8941 6.8941 6.9408 6.9408 7.0145 7.0145 7.0430 7.0430 7.2698 7.2698 7.3183 7.3183 7.8223 7.8223 7.8286 7.8286 7.9215 7.9215 7.9548 7.9548 8.1464 8.1464 8.1674 8.1674 8.2495 8.2495 8.2733 8.2733 8.3780 8.3780 8.4210 8.4210 11.2730 11.2730 11.5356 11.5356 12.1443 12.1443 12.2897 12.2897 12.3605 12.3605 12.4827 12.4827 14.3473 14.3473 14.3806 14.3806 k = 0.0000 0.4750 0.3277 ( 3450 PWs) bands (ev): 0.5557 0.5557 0.6059 0.6059 3.5989 3.5989 3.6695 3.6695 6.3802 6.3802 6.4066 6.4066 6.4776 6.4776 6.5404 6.5404 6.9042 6.9042 6.9368 6.9368 7.0142 7.0142 7.0346 7.0346 7.2754 7.2754 7.3081 7.3081 7.8267 7.8267 7.8305 7.8305 7.9272 7.9272 7.9490 7.9490 8.1479 8.1479 8.1627 8.1627 8.2536 8.2536 8.2696 8.2696 8.3810 8.3810 8.4095 8.4095 11.3456 11.3456 11.5327 11.5327 12.1629 12.1629 12.2952 12.2952 12.3635 12.3635 12.4373 12.4373 14.3365 14.3365 14.3847 14.3847 k = 0.0000 0.4875 0.3277 ( 3456 PWs) bands (ev): 0.5768 0.5768 0.6022 0.6022 3.6018 3.6018 3.6374 3.6374 6.3893 6.3893 6.4026 6.4026 6.4918 6.4918 6.5232 6.5232 6.9139 6.9139 6.9306 6.9306 7.0166 7.0166 7.0272 7.0272 7.2822 7.2822 7.2986 7.2986 7.8297 7.8297 7.8314 7.8314 7.9326 7.9326 7.9433 7.9433 8.1505 8.1505 8.1581 8.1581 8.2577 8.2577 8.2658 8.2658 8.3856 8.3856 8.3998 8.3998 11.4116 11.4116 11.5094 11.5094 12.1881 12.1881 12.2643 12.2643 12.3819 12.3819 12.4140 12.4140 14.3337 14.3337 14.3724 14.3724 k = 0.0000 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.5924 0.5924 0.5924 0.5924 3.6147 3.6147 3.6147 3.6147 6.3968 6.3968 6.3968 6.3968 6.5069 6.5069 6.5069 6.5069 6.9228 6.9228 6.9228 6.9228 7.0211 7.0211 7.0211 7.0211 7.2899 7.2899 7.2899 7.2899 7.8312 7.8312 7.8312 7.8312 7.9379 7.9379 7.9379 7.9379 8.1540 8.1540 8.1540 8.1540 8.2618 8.2618 8.2618 8.2618 8.3918 8.3918 8.3918 8.3918 11.4676 11.4676 11.4676 11.4676 12.2235 12.2235 12.2235 12.2235 12.3990 12.3990 12.3990 12.3990 14.3466 14.3466 14.3466 14.3466 k = 0.0000 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.5924 0.5924 0.5924 0.5924 3.6147 3.6147 3.6147 3.6147 6.3968 6.3968 6.3968 6.3968 6.5069 6.5069 6.5069 6.5069 6.9228 6.9228 6.9228 6.9228 7.0211 7.0211 7.0211 7.0211 7.2899 7.2899 7.2899 7.2899 7.8312 7.8312 7.8312 7.8312 7.9379 7.9379 7.9379 7.9379 8.1540 8.1540 8.1540 8.1540 8.2618 8.2618 8.2618 8.2618 8.3918 8.3918 8.3918 8.3918 11.4676 11.4676 11.4676 11.4676 12.2235 12.2235 12.2235 12.2235 12.3990 12.3990 12.3990 12.3990 14.3466 14.3466 14.3466 14.3466 k = 0.0125 0.5000 0.3277 ( 3456 PWs) bands (ev): 0.5932 0.5932 0.5933 0.5933 3.6160 3.6160 3.6164 3.6164 6.3967 6.3967 6.3975 6.3975 6.5044 6.5044 6.5079 6.5079 6.9189 6.9189 6.9263 6.9263 7.0180 7.0180 7.0247 7.0247 7.2885 7.2885 7.2913 7.2913 7.8203 7.8203 7.8402 7.8402 7.9296 7.9296 7.9480 7.9480 8.1527 8.1527 8.1549 8.1549 8.2584 8.2584 8.2647 8.2647 8.3905 8.3905 8.3931 8.3931 11.4432 11.4432 11.4785 11.4785 12.1583 12.1583 12.2362 12.2362 12.4002 12.4002 12.4309 12.4309 14.2939 14.2939 14.3144 14.3144 k = 0.0250 0.5000 0.3277 ( 3444 PWs) bands (ev): 0.5957 0.5957 0.5959 0.5959 3.6200 3.6200 3.6209 3.6209 6.3970 6.3970 6.3984 6.3984 6.5005 6.5005 6.5073 6.5073 6.9147 6.9147 6.9294 6.9294 7.0156 7.0156 7.0290 7.0290 7.2871 7.2871 7.2927 7.2927 7.8084 7.8084 7.8459 7.8459 7.9246 7.9246 7.9591 7.9591 8.1510 8.1510 8.1553 8.1553 8.2545 8.2545 8.2669 8.2669 8.3891 8.3891 8.3943 8.3943 11.4052 11.4052 11.4752 11.4752 12.0702 12.0702 12.1964 12.1964 12.4346 12.4346 12.4691 12.4691 14.2277 14.2277 14.2445 14.2445 k = 0.0375 0.5000 0.3277 ( 3444 PWs) bands (ev): 0.5998 0.5998 0.6001 0.6001 3.6269 3.6269 3.6283 3.6283 6.3976 6.3976 6.3997 6.3997 6.4950 6.4950 6.5051 6.5051 6.9101 6.9101 6.9318 6.9318 7.0139 7.0139 7.0336 7.0336 7.2855 7.2855 7.2939 7.2939 7.7957 7.7957 7.8470 7.8470 7.9240 7.9240 7.9707 7.9707 8.1490 8.1490 8.1551 8.1551 8.2503 8.2503 8.2685 8.2685 8.3878 8.3878 8.3954 8.3954 11.3530 11.3530 11.4558 11.4558 11.9732 11.9732 12.1360 12.1360 12.4716 12.4716 12.5036 12.5036 14.1570 14.1570 14.1643 14.1643 k = 0.0500 0.5000 0.3277 ( 3452 PWs) bands (ev): 0.6056 0.6056 0.6059 0.6059 3.6367 3.6367 3.6385 3.6385 6.3983 6.3983 6.4009 6.4009 6.4883 6.4883 6.5015 6.5015 6.9051 6.9051 6.9333 6.9333 7.0132 7.0132 7.0386 7.0386 7.2840 7.2840 7.2950 7.2950 7.7826 7.7826 7.8431 7.8431 7.9281 7.9281 7.9825 7.9825 8.1467 8.1467 8.1543 8.1543 8.2458 8.2458 8.2692 8.2692 8.3865 8.3865 8.3961 8.3961 11.2865 11.2865 11.4173 11.4173 11.8757 11.8757 12.0679 12.0679 12.5009 12.5009 12.5325 12.5325 14.0790 14.0790 14.0835 14.0835 k = 0.0625 0.5000 0.3277 ( 3464 PWs) bands (ev): 0.6131 0.6131 0.6135 0.6135 3.6493 3.6493 3.6516 3.6516 6.3989 6.3989 6.4017 6.4017 6.4809 6.4809 6.4968 6.4968 6.8999 6.8999 6.9339 6.9339 7.0134 7.0134 7.0442 7.0442 7.2823 7.2823 7.2958 7.2958 7.7693 7.7693 7.8353 7.8353 7.9359 7.9359 7.9944 7.9944 8.1441 8.1441 8.1528 8.1528 8.2411 8.2411 8.2691 8.2691 8.3853 8.3853 8.3967 8.3967 11.2062 11.2062 11.3563 11.3563 11.7838 11.7838 11.9956 11.9956 12.5218 12.5218 12.5558 12.5558 13.9934 13.9934 14.0109 14.0109 k = 0.0750 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.6221 0.6221 0.6226 0.6226 3.6647 3.6647 3.6675 3.6675 6.3991 6.3991 6.4012 6.4012 6.4736 6.4736 6.4914 6.4914 6.8945 6.8945 6.9334 6.9334 7.0149 7.0149 7.0502 7.0502 7.2807 7.2807 7.2965 7.2965 7.7558 7.7558 7.8252 7.8252 7.9461 7.9461 8.0063 8.0063 8.1413 8.1413 8.1506 8.1506 8.2367 8.2367 8.2684 8.2684 8.3842 8.3842 8.3970 8.3970 11.1134 11.1134 11.2718 11.2718 11.7001 11.7001 11.9190 11.9190 12.5363 12.5363 12.5746 12.5746 13.9120 13.9120 13.9426 13.9426 k = 0.0875 0.5000 0.3277 ( 3464 PWs) bands (ev): 0.6327 0.6327 0.6333 0.6333 3.6829 3.6829 3.6862 3.6862 6.3980 6.3980 6.3981 6.3981 6.4678 6.4678 6.4860 6.4860 6.8889 6.8889 6.9319 6.9319 7.0176 7.0176 7.0568 7.0568 7.2789 7.2789 7.2967 7.2967 7.7423 7.7423 7.8137 7.8137 7.9573 7.9573 8.0178 8.0178 8.1385 8.1385 8.1476 8.1476 8.2323 8.2323 8.2670 8.2670 8.3833 8.3833 8.3970 8.3970 11.0101 11.0101 11.1671 11.1671 11.6226 11.6226 11.8372 11.8372 12.5472 12.5472 12.5902 12.5902 13.8381 13.8381 13.8815 13.8815 k = 0.1000 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.6449 0.6449 0.6455 0.6455 3.7039 3.7039 3.7077 3.7077 6.3909 6.3909 6.3948 6.3948 6.4649 6.4649 6.4815 6.4815 6.8831 6.8831 6.9295 6.9295 7.0215 7.0215 7.0638 7.0638 7.2771 7.2771 7.2967 7.2967 7.7287 7.7287 7.8014 7.8014 7.9692 7.9692 8.0291 8.0291 8.1357 8.1357 8.1438 8.1438 8.2282 8.2282 8.2649 8.2649 8.3824 8.3824 8.3967 8.3967 10.8986 10.8986 11.0480 11.0480 11.5460 11.5460 11.7486 11.7486 12.5571 12.5571 12.6042 12.6042 13.7743 13.7743 13.8296 13.8296 k = 0.1125 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.6586 0.6586 0.6593 0.6593 3.7276 3.7276 3.7320 3.7320 6.3789 6.3789 6.3883 6.3883 6.4654 6.4654 6.4789 6.4789 6.8771 6.8771 6.9261 6.9261 7.0264 7.0264 7.0713 7.0713 7.2750 7.2750 7.2962 7.2962 7.7151 7.7151 7.7885 7.7885 7.9815 7.9815 8.0399 8.0399 8.1329 8.1329 8.1393 8.1393 8.2243 8.2243 8.2622 8.2622 8.3815 8.3815 8.3962 8.3962 10.7810 10.7810 10.9201 10.9201 11.4658 11.4658 11.6522 11.6522 12.5684 12.5684 12.6185 12.6185 13.7217 13.7217 13.7878 13.7878 k = 0.1250 0.5000 0.3277 ( 3464 PWs) bands (ev): 0.6738 0.6738 0.6745 0.6745 3.7541 3.7541 3.7591 3.7591 6.3626 6.3626 6.3780 6.3780 6.4689 6.4689 6.4787 6.4787 6.8709 6.8709 6.9219 6.9219 7.0323 7.0323 7.0793 7.0793 7.2728 7.2728 7.2953 7.2953 7.7016 7.7016 7.7752 7.7752 7.9939 7.9939 8.0499 8.0499 8.1305 8.1305 8.1341 8.1341 8.2207 8.2207 8.2590 8.2590 8.3807 8.3807 8.3952 8.3952 10.6594 10.6594 10.7873 10.7873 11.3790 11.3790 11.5477 11.5477 12.5826 12.5826 12.6343 12.6343 13.6808 13.6808 13.7561 13.7561 k = 0.1375 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.6904 0.6904 0.6912 0.6912 3.7832 3.7832 3.7888 3.7888 6.3427 6.3427 6.3639 6.3639 6.4746 6.4746 6.4810 6.4810 6.8647 6.8647 6.9171 6.9171 7.0389 7.0389 7.0878 7.0878 7.2705 7.2705 7.2939 7.2939 7.6881 7.6881 7.7616 7.7616 8.0063 8.0063 8.0590 8.0590 8.1282 8.1282 8.1286 8.1286 8.2172 8.2172 8.2554 8.2554 8.3799 8.3799 8.3941 8.3941 10.5356 10.5356 10.6524 10.6524 11.2843 11.2843 11.4355 11.4355 12.6008 12.6008 12.6531 12.6531 13.6512 13.6512 13.7340 13.7340 k = 0.1500 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.7083 0.7083 0.7092 0.7092 3.8149 3.8149 3.8212 3.8212 6.3199 6.3199 6.3462 6.3462 6.4819 6.4819 6.4853 6.4853 6.8583 6.8583 6.9116 6.9116 7.0462 7.0462 7.0966 7.0966 7.2681 7.2681 7.2921 7.2921 7.6747 7.6747 7.7479 7.7479 8.0186 8.0186 8.0667 8.0667 8.1219 8.1219 8.1277 8.1277 8.2139 8.2139 8.2514 8.2514 8.3791 8.3791 8.3927 8.3927 10.4109 10.4109 10.5174 10.5174 11.1816 11.1816 11.3166 11.3166 12.6236 12.6236 12.6755 12.6755 13.6322 13.6322 13.7209 13.7209 k = 0.1625 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.7275 0.7275 0.7285 0.7285 3.8493 3.8493 3.8563 3.8563 6.2946 6.2946 6.3255 6.3255 6.4904 6.4904 6.4913 6.4913 6.8518 6.8518 6.9056 6.9056 7.0541 7.0541 7.1058 7.1058 7.2654 7.2654 7.2897 7.2897 7.6614 7.6614 7.7340 7.7340 8.0308 8.0308 8.0724 8.0724 8.1152 8.1152 8.1281 8.1281 8.2106 8.2106 8.2471 8.2471 8.3783 8.3783 8.3910 8.3910 10.2864 10.2864 10.3833 10.3833 11.0719 11.0719 11.1921 11.1921 12.6510 12.6510 12.7021 12.7021 13.6226 13.6226 13.7158 13.7158 k = 0.1750 0.5000 0.3277 ( 3468 PWs) bands (ev): 0.7480 0.7480 0.7490 0.7490 3.8861 3.8861 3.8940 3.8940 6.2670 6.2670 6.3021 6.3021 6.4985 6.4985 6.4998 6.4998 6.8451 6.8451 6.8990 6.8990 7.0623 7.0623 7.1152 7.1152 7.2627 7.2627 7.2869 7.2869 7.6481 7.6481 7.7199 7.7199 8.0425 8.0425 8.0758 8.0758 8.1083 8.1083 8.1303 8.1303 8.2073 8.2073 8.2427 8.2427 8.3774 8.3774 8.3891 8.3891 10.1632 10.1632 10.2512 10.2512 10.9562 10.9562 11.0634 11.0634 12.6830 12.6830 12.7332 12.7332 13.6214 13.6214 13.7179 13.7179 k = 0.1875 0.5000 0.3277 ( 3468 PWs) bands (ev): 0.7696 0.7696 0.7706 0.7706 3.9255 3.9255 3.9342 3.9342 6.2373 6.2373 6.2765 6.2765 6.5066 6.5066 6.5099 6.5099 6.8382 6.8382 6.8920 6.8920 7.0708 7.0708 7.1249 7.1249 7.2600 7.2600 7.2837 7.2837 7.6350 7.6350 7.7058 7.7058 8.0540 8.0540 8.0770 8.0770 8.1015 8.1015 8.1341 8.1341 8.2040 8.2040 8.2382 8.2382 8.3765 8.3765 8.3871 8.3871 10.0418 10.0418 10.1217 10.1217 10.8361 10.8361 10.9320 10.9320 12.7194 12.7194 12.7686 12.7686 13.6276 13.6276 13.7264 13.7264 k = 0.2000 0.5000 0.3277 ( 3464 PWs) bands (ev): 0.7922 0.7922 0.7933 0.7933 3.9672 3.9672 3.9768 3.9768 6.2058 6.2058 6.2488 6.2488 6.5152 6.5152 6.5205 6.5205 6.8312 6.8312 6.8844 6.8844 7.0795 7.0795 7.1346 7.1346 7.2573 7.2573 7.2801 7.2801 7.6220 7.6220 7.6916 7.6916 8.0648 8.0648 8.0765 8.0765 8.0949 8.0949 8.1391 8.1391 8.2005 8.2005 8.2339 8.2339 8.3757 8.3757 8.3849 8.3849 9.9230 9.9230 9.9953 9.9953 10.7128 10.7128 10.7990 10.7990 12.7600 12.7600 12.8082 12.8082 13.6403 13.6403 13.7407 13.7407 k = 0.2125 0.5000 0.3277 ( 3472 PWs) bands (ev): 0.8158 0.8158 0.8169 0.8169 4.0112 4.0112 4.0219 4.0219 6.1726 6.1726 6.2192 6.2192 6.5243 6.5243 6.5314 6.5314 6.8239 6.8239 6.8762 6.8762 7.0881 7.0881 7.1442 7.1442 7.2546 7.2546 7.2763 7.2763 7.6090 7.6090 7.6774 7.6774 8.0736 8.0736 8.0746 8.0746 8.0901 8.0901 8.1443 8.1443 8.1968 8.1968 8.2297 8.2297 8.3749 8.3749 8.3827 8.3827 9.8072 9.8072 9.8723 9.8723 10.5877 10.5877 10.6656 10.6656 12.8043 12.8043 12.8519 12.8519 13.6586 13.6586 13.7601 13.7601 k = 0.2250 0.5000 0.3277 ( 3476 PWs) bands (ev): 0.8403 0.8403 0.8414 0.8414 4.0575 4.0575 4.0692 4.0692 6.1379 6.1379 6.1881 6.1881 6.5334 6.5334 6.5425 6.5425 6.8164 6.8164 6.8674 6.8674 7.0967 7.0967 7.1535 7.1535 7.2523 7.2523 7.2726 7.2726 7.5962 7.5962 7.6632 7.6632 8.0719 8.0719 8.0750 8.0750 8.0923 8.0923 8.1493 8.1493 8.1928 8.1928 8.2261 8.2261 8.3740 8.3740 8.3804 8.3804 9.6947 9.6947 9.7530 9.7530 10.4621 10.4621 10.5329 10.5329 12.8523 12.8523 12.8993 12.8993 13.6821 13.6821 13.7841 13.7841 k = 0.2375 0.5000 0.3277 ( 3484 PWs) bands (ev): 0.8655 0.8655 0.8666 0.8666 4.1058 4.1058 4.1188 4.1188 6.1019 6.1019 6.1557 6.1557 6.5425 6.5425 6.5535 6.5535 6.8086 6.8086 6.8580 6.8580 7.1048 7.1048 7.1621 7.1621 7.2503 7.2503 7.2691 7.2691 7.5835 7.5835 7.6490 7.6490 8.0686 8.0686 8.0701 8.0701 8.1006 8.1006 8.1534 8.1534 8.1886 8.1886 8.2233 8.2233 8.3732 8.3732 8.3780 8.3780 9.5858 9.5858 9.6375 9.6375 10.3371 10.3371 10.4018 10.4018 12.9035 12.9035 12.9500 12.9500 13.7101 13.7101 13.8125 13.8125 k = 0.2500 0.5000 0.3277 ( 3496 PWs) bands (ev): 0.8913 0.8913 0.8924 0.8924 4.1561 4.1561 4.1704 4.1704 6.0649 6.0649 6.1224 6.1224 6.5512 6.5512 6.5643 6.5643 6.8006 6.8006 6.8480 6.8480 7.1124 7.1124 7.1696 7.1696 7.2490 7.2490 7.2664 7.2664 7.5709 7.5709 7.6347 7.6347 8.0640 8.0640 8.0651 8.0651 8.1096 8.1096 8.1562 8.1562 8.1842 8.1842 8.2215 8.2215 8.3724 8.3724 8.3757 8.3757 9.4808 9.4808 9.5261 9.5261 10.2138 10.2138 10.2731 10.2731 12.9576 12.9576 13.0039 13.0039 13.7424 13.7424 13.8447 13.8447 k = 0.2625 0.5000 0.3277 ( 3488 PWs) bands (ev): 0.9176 0.9176 0.9187 0.9187 4.2082 4.2082 4.2240 4.2240 6.0273 6.0273 6.0883 6.0883 6.5592 6.5592 6.5744 6.5744 6.7925 6.7925 6.8376 6.8376 7.1192 7.1192 7.1754 7.1754 7.2486 7.2486 7.2652 7.2652 7.5584 7.5584 7.6207 7.6207 8.0580 8.0580 8.0616 8.0616 8.1183 8.1183 8.1573 8.1573 8.1798 8.1798 8.2211 8.2211 8.3718 8.3718 8.3735 8.3735 9.3799 9.3799 9.4188 9.4188 10.0930 10.0930 10.1477 10.1477 13.0145 13.0145 13.0606 13.0606 13.7784 13.7784 13.8807 13.8807 k = 0.2750 0.5000 0.3277 ( 3488 PWs) bands (ev): 0.9442 0.9442 0.9453 0.9453 4.2619 4.2619 4.2793 4.2793 5.9891 5.9891 6.0538 6.0538 6.5659 6.5659 6.5833 6.5833 6.7845 6.7845 6.8268 6.8268 7.1250 7.1250 7.1787 7.1787 7.2493 7.2493 7.2661 7.2661 7.5461 7.5461 7.6068 7.6068 8.0522 8.0522 8.0580 8.0580 8.1259 8.1259 8.1566 8.1566 8.1757 8.1757 8.2219 8.2219 8.3712 8.3712 8.3713 8.3713 9.2831 9.2831 9.3158 9.3158 9.9757 9.9757 10.0263 10.0263 13.0737 13.0737 13.1197 13.1197 13.8181 13.8181 13.9200 13.9200 k = 0.2875 0.5000 0.3277 ( 3484 PWs) bands (ev): 0.9709 0.9709 0.9721 0.9721 4.3171 4.3171 4.3363 4.3363 5.9509 5.9509 6.0194 6.0194 6.5707 6.5707 6.5905 6.5905 6.7769 6.7769 6.8160 6.8160 7.1296 7.1296 7.1792 7.1792 7.2511 7.2511 7.2693 7.2693 7.5340 7.5340 7.5932 7.5932 8.0467 8.0467 8.0544 8.0544 8.1319 8.1319 8.1545 8.1545 8.1725 8.1725 8.2238 8.2238 8.3691 8.3691 8.3707 8.3707 9.1905 9.1905 9.2170 9.2170 9.8625 9.8625 9.9094 9.9094 13.1350 13.1350 13.1809 13.1809 13.8611 13.8611 13.9626 13.9626 k = 0.3000 0.5000 0.3277 ( 3492 PWs) bands (ev): 0.9977 0.9977 0.9988 0.9988 4.3734 4.3734 4.3945 4.3945 5.9130 5.9130 5.9853 5.9853 6.5727 6.5727 6.5949 6.5949 6.7704 6.7704 6.8057 6.8057 7.1327 7.1327 7.1770 7.1770 7.2542 7.2542 7.2748 7.2748 7.5220 7.5220 7.5797 7.5797 8.0415 8.0415 8.0510 8.0510 8.1352 8.1352 8.1511 8.1511 8.1713 8.1713 8.2263 8.2263 8.3670 8.3670 8.3702 8.3702 9.1023 9.1023 9.1226 9.1226 9.7541 9.7541 9.7978 9.7978 13.1982 13.1982 13.2438 13.2438 13.9074 13.9074 14.0082 14.0082 k = 0.3125 0.5000 0.3277 ( 3476 PWs) bands (ev): 1.0244 1.0244 1.0255 1.0255 4.4306 4.4306 4.4539 4.4539 5.8759 5.8759 5.9522 5.9522 6.5710 6.5710 6.5954 6.5954 6.7657 6.7657 6.7968 6.7968 7.1345 7.1345 7.1727 7.1727 7.2586 7.2586 7.2823 7.2823 7.5103 7.5103 7.5667 7.5667 8.0368 8.0368 8.0478 8.0478 8.1350 8.1350 8.1469 8.1469 8.1729 8.1729 8.2292 8.2292 8.3651 8.3651 8.3698 8.3698 9.0185 9.0185 9.0326 9.0326 9.6512 9.6512 9.6919 9.6919 13.2627 13.2627 13.3081 13.3081 13.9567 13.9567 14.0568 14.0568 k = 0.3250 0.5000 0.3277 ( 3480 PWs) bands (ev): 1.0506 1.0506 1.0517 1.0517 4.4882 4.4882 4.5139 4.5139 5.8402 5.8402 5.9206 5.9206 6.5644 6.5644 6.5909 6.5909 6.7637 6.7637 6.7900 6.7900 7.1350 7.1350 7.1666 7.1666 7.2639 7.2639 7.2908 7.2908 7.4987 7.4987 7.5538 7.5538 8.0325 8.0325 8.0448 8.0448 8.1317 8.1317 8.1422 8.1422 8.1768 8.1768 8.2320 8.2320 8.3630 8.3630 8.3692 8.3692 8.9392 8.9392 8.9472 8.9472 9.5543 9.5543 9.5921 9.5921 13.3284 13.3284 13.3734 13.3734 14.0091 14.0091 14.1081 14.1081 k = 0.3375 0.5000 0.3277 ( 3480 PWs) bands (ev): 1.0764 1.0764 1.0774 1.0774 4.5459 4.5459 4.5742 4.5742 5.8064 5.8064 5.8911 5.8911 6.5520 6.5520 6.5806 6.5806 6.7647 6.7647 6.7859 6.7859 7.1343 7.1343 7.1595 7.1595 7.2701 7.2701 7.2999 7.2999 7.4874 7.4874 7.5413 7.5413 8.0287 8.0287 8.0421 8.0421 8.1265 8.1265 8.1372 8.1372 8.1820 8.1820 8.2346 8.2346 8.3610 8.3610 8.3686 8.3686 8.8646 8.8646 8.8667 8.8667 9.4638 9.4638 9.4990 9.4990 13.3947 13.3947 13.4391 13.4391 14.0643 14.0643 14.1620 14.1620 k = 0.3500 0.5000 0.3277 ( 3480 PWs) bands (ev): 1.1014 1.1014 1.1023 1.1023 4.6032 4.6032 4.6342 4.6342 5.7752 5.7752 5.8643 5.8643 6.5332 6.5332 6.5642 6.5642 6.7688 6.7688 6.7849 6.7849 7.1327 7.1327 7.1518 7.1518 7.2769 7.2769 7.3093 7.3093 7.4764 7.4764 7.5293 7.5293 8.0255 8.0255 8.0397 8.0397 8.1203 8.1203 8.1321 8.1321 8.1876 8.1876 8.2368 8.2368 8.3590 8.3590 8.3677 8.3677 8.7912 8.7912 8.7947 8.7947 9.3800 9.3800 9.4128 9.4128 13.4613 13.4613 13.5047 13.5047 14.1223 14.1223 14.2183 14.2183 k = 0.3625 0.5000 0.3277 ( 3484 PWs) bands (ev): 1.1254 1.1254 1.1263 1.1263 4.6595 4.6595 4.6932 4.6932 5.7474 5.7474 5.8410 5.8410 6.5081 6.5081 6.5419 6.5419 6.7752 6.7752 6.7867 6.7867 7.1303 7.1303 7.1436 7.1436 7.2838 7.2838 7.3186 7.3186 7.4658 7.4658 7.5177 7.5177 8.0228 8.0228 8.0378 8.0378 8.1137 8.1137 8.1269 8.1269 8.1932 8.1932 8.2387 8.2387 8.3568 8.3568 8.3665 8.3665 8.7211 8.7211 8.7297 8.7297 9.3031 9.3031 9.3337 9.3337 13.5276 13.5276 13.5697 13.5697 14.1830 14.1830 14.2770 14.2770 k = 0.3750 0.5000 0.3277 ( 3472 PWs) bands (ev): 1.1483 1.1483 1.1492 1.1492 4.7141 4.7141 4.7505 4.7505 5.7241 5.7241 5.8219 5.8219 6.4771 6.4771 6.5143 6.5143 6.7835 6.7835 6.7909 6.7909 7.1272 7.1272 7.1354 7.1354 7.2909 7.2909 7.3274 7.3274 7.4558 7.4558 7.5067 7.5067 8.0208 8.0208 8.0365 8.0365 8.1071 8.1071 8.1219 8.1219 8.1988 8.1988 8.2401 8.2401 8.3546 8.3546 8.3647 8.3647 8.6569 8.6569 8.6699 8.6699 9.2335 9.2335 9.2618 9.2618 13.5930 13.5930 13.6334 13.6334 14.2461 14.2461 14.3377 14.3377 k = 0.3875 0.5000 0.3277 ( 3472 PWs) bands (ev): 1.1698 1.1698 1.1706 1.1706 4.7661 4.7661 4.8049 4.8049 5.7061 5.7061 5.8079 5.8079 6.4407 6.4407 6.4817 6.4817 6.7928 6.7928 6.7969 6.7969 7.1236 7.1236 7.1273 7.1273 7.2978 7.2978 7.3357 7.3357 7.4464 7.4464 7.4961 7.4961 8.0196 8.0196 8.0357 8.0357 8.1006 8.1006 8.1169 8.1169 8.2040 8.2040 8.2409 8.2409 8.3519 8.3519 8.3619 8.3619 8.5991 8.5991 8.6154 8.6154 9.1711 9.1711 9.1972 9.1972 13.6568 13.6568 13.6951 13.6951 14.3116 14.3116 14.4002 14.4002 k = 0.4000 0.5000 0.3277 ( 3480 PWs) bands (ev): 1.1898 1.1898 1.1905 1.1905 4.8149 4.8149 4.8554 4.8554 5.6946 5.6946 5.7997 5.7997 6.3997 6.3997 6.4448 6.4448 6.8026 6.8026 6.8039 6.8039 7.1195 7.1195 7.1195 7.1195 7.3045 7.3045 7.3430 7.3430 7.4378 7.4378 7.4860 7.4860 8.0192 8.0192 8.0355 8.0355 8.0944 8.0944 8.1120 8.1120 8.2088 8.2088 8.2411 8.2411 8.3487 8.3487 8.3576 8.3576 8.5483 8.5483 8.5666 8.5666 9.1159 9.1159 9.1398 9.1398 13.7182 13.7182 13.7540 13.7540 14.3791 14.3791 14.4640 14.4640 k = 0.4125 0.5000 0.3277 ( 3484 PWs) bands (ev): 1.2079 1.2079 1.2086 1.2086 4.8595 4.8595 4.9007 4.9007 5.6907 5.6907 5.7980 5.7980 6.3548 6.3548 6.4040 6.4040 6.8116 6.8116 6.8124 6.8124 7.1121 7.1121 7.1151 7.1151 7.3109 7.3109 7.3492 7.3492 7.4303 7.4303 7.4764 7.4764 8.0199 8.0199 8.0360 8.0360 8.0887 8.0887 8.1072 8.1072 8.2134 8.2134 8.2408 8.2408 8.3447 8.3447 8.3514 8.3514 8.5056 8.5056 8.5238 8.5238 9.0679 9.0679 9.0894 9.0894 13.7765 13.7765 13.8091 13.8091 14.4481 14.4481 14.5286 14.5286 k = 0.4250 0.5000 0.3277 ( 3480 PWs) bands (ev): 1.2241 1.2241 1.2247 1.2247 4.8993 4.8993 4.9397 4.9397 5.6955 5.6955 5.8031 5.8031 6.3070 6.3070 6.3601 6.3601 6.8195 6.8195 6.8217 6.8217 7.1055 7.1055 7.1105 7.1105 7.3170 7.3170 7.3540 7.3540 7.4243 7.4243 7.4676 7.4676 8.0217 8.0217 8.0372 8.0372 8.0836 8.0836 8.1024 8.1024 8.2174 8.2174 8.2400 8.2400 8.3395 8.3395 8.3426 8.3426 8.4717 8.4717 8.4877 8.4877 9.0269 9.0269 9.0461 9.0461 13.8305 13.8305 13.8595 13.8595 14.5180 14.5180 14.5931 14.5931 k = 0.4375 0.5000 0.3277 ( 3472 PWs) bands (ev): 1.2382 1.2382 1.2387 1.2387 4.9337 4.9337 4.9714 4.9714 5.7092 5.7092 5.8147 5.8147 6.2574 6.2574 6.3138 6.3138 6.8272 6.8272 6.8303 6.8303 7.0997 7.0997 7.1058 7.1058 7.3227 7.3227 7.3571 7.3571 7.4200 7.4200 7.4592 7.4592 8.0247 8.0247 8.0391 8.0391 8.0791 8.0791 8.0974 8.0974 8.2211 8.2211 8.2387 8.2387 8.3313 8.3313 8.3325 8.3325 8.4469 8.4469 8.4587 8.4587 8.9930 8.9930 9.0095 9.0095 13.8793 13.8793 13.9043 13.9043 14.5874 14.5874 14.6560 14.6560 k = 0.4500 0.5000 0.3277 ( 3472 PWs) bands (ev): 1.2499 1.2499 1.2503 1.2503 4.9624 4.9624 4.9954 4.9954 5.7317 5.7317 5.8318 5.8318 6.2079 6.2079 6.2661 6.2661 6.8342 6.8342 6.8376 6.8376 7.0949 7.0949 7.1013 7.1013 7.3281 7.3281 7.3581 7.3581 7.4178 7.4178 7.4515 7.4515 8.0288 8.0288 8.0413 8.0413 8.0751 8.0751 8.0921 8.0921 8.2243 8.2243 8.2371 8.2371 8.3187 8.3187 8.3237 8.3237 8.4301 8.4301 8.4371 8.4371 8.9659 8.9659 8.9794 8.9794 13.9218 13.9218 13.9422 13.9422 14.6549 14.6549 14.7153 14.7153 k = 0.4625 0.5000 0.3277 ( 3468 PWs) bands (ev): 1.2592 1.2592 1.2595 1.2595 4.9855 4.9855 5.0120 5.0120 5.7616 5.7616 5.8518 5.8518 6.1614 6.1614 6.2186 6.2186 6.8404 6.8404 6.8435 6.8435 7.0913 7.0913 7.0970 7.0970 7.3333 7.3333 7.3573 7.3573 7.4177 7.4177 7.4444 7.4444 8.0338 8.0338 8.0438 8.0438 8.0719 8.0719 8.0864 8.0864 8.2270 8.2270 8.2353 8.2353 8.3070 8.3070 8.3136 8.3136 8.4193 8.4193 8.4226 8.4226 8.9454 8.9454 8.9559 8.9559 13.9568 13.9568 13.9725 13.9725 14.7177 14.7177 14.7677 14.7677 k = 0.4750 0.5000 0.3277 ( 3468 PWs) bands (ev): 1.2660 1.2660 1.2662 1.2662 5.0031 5.0031 5.0216 5.0216 5.7964 5.7964 5.8692 5.8692 6.1234 6.1234 6.1735 6.1735 6.8453 6.8453 6.8477 6.8477 7.0891 7.0891 7.0933 7.0933 7.3382 7.3382 7.3549 7.3549 7.4194 7.4194 7.4378 7.4378 8.0394 8.0394 8.0462 8.0462 8.0695 8.0695 8.0804 8.0804 8.2290 8.2290 8.2337 8.2337 8.2982 8.2982 8.3039 8.3039 8.4127 8.4127 8.4138 8.4138 8.9315 8.9315 8.9386 8.9386 13.9834 13.9834 13.9940 13.9940 14.7720 14.7720 14.8085 14.8085 k = 0.4875 0.5000 0.3277 ( 3468 PWs) bands (ev): 1.2701 1.2701 1.2702 1.2702 5.0155 5.0155 5.0250 5.0250 5.8319 5.8319 5.8749 5.8749 6.1031 6.1031 6.1344 6.1344 6.8487 6.8487 6.8500 6.8500 7.0882 7.0882 7.0905 7.0905 7.3429 7.3429 7.3515 7.3515 7.4226 7.4226 7.4320 7.4320 8.0445 8.0445 8.0477 8.0477 8.0686 8.0686 8.0746 8.0746 8.2305 8.2305 8.2324 8.2324 8.2933 8.2933 8.2965 8.2965 8.4091 8.4091 8.4093 8.4093 8.9239 8.9239 8.9275 8.9275 14.0009 14.0009 14.0062 14.0062 14.8126 14.8126 14.8321 14.8321 k = 0.5000 0.5000 0.3277 ( 3448 PWs) bands (ev): 1.2715 1.2715 1.2715 1.2715 5.0228 5.0228 5.0228 5.0228 5.8613 5.8613 5.8613 5.8613 6.1079 6.1079 6.1079 6.1079 6.8505 6.8505 6.8505 6.8505 7.0887 7.0887 7.0887 7.0887 7.3475 7.3475 7.3475 7.3475 7.4269 7.4269 7.4269 7.4269 8.0476 8.0476 8.0476 8.0476 8.0703 8.0703 8.0703 8.0703 8.2315 8.2315 8.2315 8.2315 8.2928 8.2928 8.2928 8.2928 8.4079 8.4079 8.4079 8.4079 8.9226 8.9226 8.9226 8.9226 14.0085 14.0085 14.0085 14.0085 14.8338 14.8338 14.8338 14.8338 k = 0.5000 0.5000 0.3277 ( 3448 PWs) bands (ev): 1.2715 1.2715 1.2715 1.2715 5.0228 5.0228 5.0228 5.0228 5.8613 5.8613 5.8613 5.8613 6.1079 6.1079 6.1079 6.1079 6.8505 6.8505 6.8505 6.8505 7.0887 7.0887 7.0887 7.0887 7.3475 7.3475 7.3475 7.3475 7.4269 7.4269 7.4269 7.4269 8.0476 8.0476 8.0476 8.0476 8.0703 8.0703 8.0703 8.0703 8.2315 8.2315 8.2315 8.2315 8.2928 8.2928 8.2928 8.2928 8.4079 8.4079 8.4079 8.4079 8.9226 8.9226 8.9226 8.9226 14.0085 14.0085 14.0085 14.0085 14.8338 14.8338 14.8338 14.8338 k = 0.4911 0.4911 0.3277 ( 3468 PWs) bands (ev): 1.2696 1.2696 1.2705 1.2705 5.0141 5.0141 5.0263 5.0263 5.8294 5.8294 5.8775 5.8775 6.1015 6.1015 6.1360 6.1360 6.8479 6.8479 6.8508 6.8508 7.0879 7.0879 7.0908 7.0908 7.3428 7.3428 7.3516 7.3516 7.4225 7.4225 7.4320 7.4320 8.0440 8.0440 8.0483 8.0483 8.0680 8.0680 8.0750 8.0750 8.2305 8.2305 8.2324 8.2324 8.2930 8.2930 8.2969 8.2969 8.4091 8.4091 8.4093 8.4093 8.9224 8.9224 8.9291 8.9291 13.9977 13.9977 14.0091 14.0091 14.8060 14.8060 14.8388 14.8388 k = 0.4821 0.4821 0.3277 ( 3472 PWs) bands (ev): 1.2642 1.2642 1.2676 1.2676 4.9950 4.9950 5.0304 5.0304 5.7826 5.7826 5.8852 5.8852 6.1136 6.1136 6.1804 6.1804 6.8413 6.8413 6.8517 6.8517 7.0870 7.0870 7.0953 7.0953 7.3376 7.3376 7.3555 7.3555 7.4192 7.4192 7.4379 7.4379 8.0381 8.0381 8.0487 8.0487 8.0663 8.0663 8.0822 8.0822 8.2289 8.2289 8.2338 8.2338 8.2963 8.2963 8.3064 8.3064 8.4126 8.4126 8.4140 8.4140 8.9233 8.9233 8.9471 8.9471 13.9681 13.9681 14.0088 14.0088 14.7410 14.7410 14.8438 14.8438 k = 0.4732 0.4732 0.3277 ( 3472 PWs) bands (ev): 1.2552 1.2552 1.2628 1.2628 4.9657 4.9657 5.0365 5.0365 5.7272 5.7272 5.8903 5.8903 6.1386 6.1386 6.2329 6.2329 6.8310 6.8310 6.8533 6.8533 7.0859 7.0859 7.1019 7.1019 7.3317 7.3317 7.3592 7.3592 7.4171 7.4171 7.4446 7.4446 8.0319 8.0319 8.0496 8.0496 8.0642 8.0642 8.0900 8.0900 8.2264 8.2264 8.2360 8.2360 8.3020 8.3020 8.3203 8.3203 8.4186 8.4186 8.4236 8.4236 8.9248 8.9248 8.9769 8.9769 13.9207 13.9207 14.0075 14.0075 14.6526 14.6526 14.8519 14.8519 k = 0.4643 0.4643 0.3277 ( 3476 PWs) bands (ev): 1.2426 1.2426 1.2559 1.2559 4.9280 4.9280 5.0450 5.0450 5.6683 5.6683 5.8956 5.8956 6.1721 6.1721 6.2874 6.2874 6.8177 6.8177 6.8555 6.8555 7.0843 7.0843 7.1100 7.1100 7.3247 7.3247 7.3626 7.3626 7.4162 7.4162 7.4517 7.4517 8.0261 8.0261 8.0512 8.0512 8.0619 8.0619 8.0976 8.0976 8.2231 8.2231 8.2391 8.2391 8.3099 8.3099 8.3359 8.3359 8.4271 8.4271 8.4409 8.4409 8.9271 8.9271 9.0182 9.0182 13.8583 13.8583 14.0039 14.0039 14.5541 14.5541 14.8632 14.8632 k = 0.4554 0.4554 0.3277 ( 3474 PWs) bands (ev): 1.2264 1.2264 1.2470 1.2470 4.8843 4.8843 5.0557 5.0557 5.6092 5.6092 5.9019 5.9019 6.2108 6.2108 6.3407 6.3407 6.8023 6.8023 6.8584 6.8584 7.0824 7.0824 7.1191 7.1191 7.3167 7.3167 7.3655 7.3655 7.4166 7.4166 7.4596 7.4596 8.0210 8.0210 8.0535 8.0535 8.0597 8.0597 8.1046 8.1046 8.2189 8.2189 8.2434 8.2434 8.3195 8.3195 8.3500 8.3500 8.4384 8.4384 8.4694 8.4694 8.9299 8.9299 9.0709 9.0709 13.7836 13.7836 13.9954 13.9954 14.4555 14.4555 14.8778 14.8778 k = 0.4464 0.4464 0.3277 ( 3486 PWs) bands (ev): 1.2068 1.2068 1.2360 1.2360 4.8367 4.8367 5.0686 5.0686 5.5516 5.5516 5.9095 5.9095 6.2523 6.2523 6.3908 6.3908 6.7854 6.7854 6.8618 6.8618 7.0803 7.0803 7.1284 7.1284 7.3076 7.3076 7.3677 7.3677 7.4182 7.4182 7.4679 7.4679 8.0165 8.0165 8.0562 8.0562 8.0583 8.0583 8.1111 8.1111 8.2138 8.2138 8.2488 8.2488 8.3305 8.3305 8.3608 8.3608 8.4523 8.4523 8.5110 8.5110 8.9334 8.9334 9.1346 9.1346 13.6995 13.6995 13.9771 13.9771 14.3655 14.3655 14.8957 14.8957 k = 0.4375 0.4375 0.3277 ( 3490 PWs) bands (ev): 1.1837 1.1837 1.2227 1.2227 4.7871 4.7871 5.0837 5.0837 5.4968 5.4968 5.9187 5.9187 6.2946 6.2946 6.4363 6.4363 6.7676 6.7676 6.8660 6.8660 7.0779 7.0779 7.1375 7.1375 7.2975 7.2975 7.3690 7.3690 7.4207 7.4207 7.4767 7.4767 8.0124 8.0124 8.0552 8.0552 8.0618 8.0618 8.1172 8.1172 8.2082 8.2082 8.2556 8.2556 8.3427 8.3427 8.3690 8.3690 8.4692 8.4692 8.5653 8.5653 8.9376 8.9376 9.2090 9.2090 13.6085 13.6085 13.9414 13.9414 14.2941 14.2941 14.9170 14.9170 k = 0.4286 0.4286 0.3277 ( 3482 PWs) bands (ev): 1.1573 1.1573 1.2072 1.2072 4.7372 4.7372 5.1008 5.1008 5.4457 5.4457 5.9293 5.9293 6.3359 6.3359 6.4768 6.4768 6.7496 6.7496 6.8708 6.8708 7.0756 7.0756 7.1463 7.1463 7.2865 7.2865 7.3697 7.3697 7.4240 7.4240 7.4860 7.4860 8.0088 8.0088 8.0539 8.0539 8.0670 8.0670 8.1230 8.1230 8.2023 8.2023 8.2636 8.2636 8.3558 8.3558 8.3759 8.3759 8.4888 8.4888 8.6314 8.6314 8.9426 8.9426 9.2939 9.2939 13.5126 13.5126 13.8825 13.8825 14.2485 14.2485 14.9417 14.9417 k = 0.4196 0.4196 0.3277 ( 3482 PWs) bands (ev): 1.1276 1.1276 1.1892 1.1892 4.6883 4.6883 5.1194 5.1194 5.3991 5.3991 5.9414 5.9414 6.3748 6.3748 6.5120 6.5120 6.7319 6.7319 6.8763 6.8763 7.0732 7.0732 7.1543 7.1543 7.2748 7.2748 7.3696 7.3696 7.4276 7.4276 7.4956 7.4956 8.0055 8.0055 8.0530 8.0530 8.0727 8.0727 8.1286 8.1286 8.1959 8.1959 8.2726 8.2726 8.3694 8.3694 8.3826 8.3826 8.5109 8.5109 8.7081 8.7081 8.9484 8.9484 9.3887 9.3887 13.4138 13.4138 13.8026 13.8026 14.2272 14.2272 14.9698 14.9698 k = 0.4107 0.4107 0.3277 ( 3478 PWs) bands (ev): 1.0948 1.0948 1.1687 1.1687 4.6414 4.6414 5.1392 5.1392 5.3580 5.3580 5.9549 5.9549 6.4101 6.4101 6.5418 6.5418 6.7153 6.7153 6.8824 6.8824 7.0709 7.0709 7.1616 7.1616 7.2624 7.2624 7.3689 7.3689 7.4313 7.4313 7.5056 7.5056 8.0027 8.0027 8.0524 8.0524 8.0785 8.0785 8.1340 8.1340 8.1893 8.1893 8.2824 8.2824 8.3828 8.3828 8.3907 8.3907 8.5355 8.5355 8.7945 8.7945 8.9553 8.9553 9.4932 9.4932 13.3134 13.3134 13.7098 13.7098 14.2230 14.2230 15.0013 15.0013 k = 0.4018 0.4018 0.3277 ( 3478 PWs) bands (ev): 1.0590 1.0590 1.1457 1.1457 4.5975 4.5975 5.1586 5.1586 5.3239 5.3239 5.9697 5.9697 6.4403 6.4403 6.5664 6.5664 6.7006 6.7006 6.8894 6.8894 7.0687 7.0687 7.1680 7.1680 7.2495 7.2495 7.3677 7.3677 7.4348 7.4348 7.5158 7.5158 8.0002 8.0002 8.0523 8.0523 8.0841 8.0841 8.1394 8.1394 8.1826 8.1826 8.2926 8.2926 8.3941 8.3941 8.4027 8.4027 8.5624 8.5624 8.8876 8.8876 8.9653 8.9653 9.6068 9.6068 13.2129 13.2129 13.6107 13.6107 14.2294 14.2294 15.0362 15.0362 k = 0.3929 0.3929 0.3277 ( 3476 PWs) bands (ev): 1.0204 1.0204 1.1201 1.1201 4.5572 4.5572 5.1745 5.1745 5.3001 5.3001 5.9858 5.9858 6.4642 6.4642 6.5863 6.5863 6.6892 6.6892 6.8971 6.8971 7.0667 7.0667 7.1734 7.1734 7.2365 7.2365 7.3660 7.3660 7.4381 7.4381 7.5261 7.5261 7.9983 7.9983 8.0525 8.0525 8.0893 8.0893 8.1445 8.1445 8.1759 8.1759 8.3023 8.3023 8.4046 8.4046 8.4178 8.4178 8.5913 8.5913 8.9563 8.9563 9.0088 9.0088 9.7290 9.7290 13.1133 13.1133 13.5095 13.5095 14.2429 14.2429 15.0746 15.0746 k = 0.3839 0.3839 0.3277 ( 3476 PWs) bands (ev): 0.9791 0.9791 1.0919 1.0919 4.5212 4.5212 5.1815 5.1815 5.2922 5.2922 6.0030 6.0030 6.4804 6.4804 6.6019 6.6019 6.6823 6.6823 6.9054 6.9054 7.0649 7.0649 7.1774 7.1774 7.2237 7.2237 7.3639 7.3639 7.4410 7.4410 7.5364 7.5364 7.9970 7.9970 8.0530 8.0530 8.0940 8.0940 8.1490 8.1490 8.1699 8.1699 8.3111 8.3111 8.4168 8.4168 8.4342 8.4342 8.6222 8.6222 8.9716 8.9716 9.1135 9.1135 9.8594 9.8594 13.0158 13.0158 13.4084 13.4084 14.2614 14.2614 15.1164 15.1164 k = 0.3750 0.3750 0.3277 ( 3482 PWs) bands (ev): 0.9353 0.9353 1.0611 1.0611 4.4900 4.4900 5.1766 5.1766 5.3028 5.3028 6.0214 6.0214 6.4878 6.4878 6.6137 6.6137 6.6808 6.6808 6.9143 6.9143 7.0635 7.0635 7.1795 7.1795 7.2120 7.2120 7.3616 7.3616 7.4436 7.4436 7.5467 7.5467 7.9962 7.9962 8.0536 8.0536 8.0983 8.0983 8.1512 8.1512 8.1662 8.1662 8.3185 8.3185 8.4312 8.4312 8.4514 8.4514 8.6549 8.6549 8.9817 8.9817 9.2299 9.2299 9.9971 9.9971 12.9215 12.9215 13.3086 13.3086 14.2840 14.2840 15.1618 15.1618 k = 0.3661 0.3661 0.3277 ( 3494 PWs) bands (ev): 0.8892 0.8892 1.0277 1.0277 4.4637 4.4637 5.1656 5.1656 5.3264 5.3264 6.0408 6.0408 6.4870 6.4870 6.6225 6.6225 6.6842 6.6842 6.9239 6.9239 7.0623 7.0623 7.1777 7.1777 7.2035 7.2035 7.3590 7.3590 7.4459 7.4459 7.5567 7.5567 7.9961 7.9961 8.0545 8.0545 8.1022 8.1022 8.1482 8.1482 8.1675 8.1675 8.3244 8.3244 8.4477 8.4477 8.4694 8.4694 8.6893 8.6893 8.9918 8.9918 9.3515 9.3515 10.1417 10.1417 12.8315 12.8315 13.2109 13.2109 14.3101 14.3101 15.2107 15.2107 k = 0.3571 0.3571 0.3277 ( 3486 PWs) bands (ev): 0.8411 0.8411 0.9918 0.9918 4.4428 4.4428 5.1540 5.1540 5.3571 5.3571 6.0611 6.0611 6.4795 6.4795 6.6290 6.6290 6.6912 6.6912 6.9341 6.9341 7.0615 7.0615 7.1705 7.1705 7.2002 7.2002 7.3564 7.3564 7.4482 7.4482 7.5666 7.5666 7.9967 7.9967 8.0555 8.0555 8.1059 8.1059 8.1424 8.1424 8.1722 8.1722 8.3291 8.3291 8.4660 8.4660 8.4882 8.4882 8.7253 8.7253 9.0023 9.0023 9.4762 9.4762 10.2924 10.2924 12.7471 12.7471 13.1159 13.1159 14.3394 14.3394 15.2632 15.2632 k = 0.3482 0.3482 0.3277 ( 3486 PWs) bands (ev): 0.7912 0.7912 0.9535 0.9535 4.4273 4.4273 5.1444 5.1444 5.3921 5.3921 6.0822 6.0822 6.4673 6.4673 6.6337 6.6337 6.6997 6.6997 6.9447 6.9447 7.0609 7.0609 7.1599 7.1599 7.2002 7.2002 7.3538 7.3538 7.4502 7.4502 7.5761 7.5761 7.9979 7.9979 8.0564 8.0564 8.1093 8.1093 8.1357 8.1357 8.1778 8.1778 8.3327 8.3327 8.4856 8.4856 8.5080 8.5080 8.7629 8.7629 9.0135 9.0135 9.6019 9.6019 10.4484 10.4484 12.6696 12.6696 13.0241 13.0241 14.3717 14.3717 15.3193 15.3193 k = 0.3393 0.3393 0.3277 ( 3472 PWs) bands (ev): 0.7397 0.7397 0.9129 0.9129 4.4173 4.4173 5.1379 5.1379 5.4301 5.4301 6.1041 6.1041 6.4520 6.4520 6.6373 6.6373 6.7084 6.7084 6.9556 6.9556 7.0608 7.0608 7.1486 7.1486 7.2011 7.2011 7.3512 7.3512 7.4524 7.4524 7.5854 7.5854 7.9998 7.9998 8.0573 8.0573 8.1125 8.1125 8.1289 8.1289 8.1838 8.1838 8.3354 8.3354 8.5059 8.5059 8.5288 8.5288 8.8021 8.8021 9.0254 9.0254 9.7267 9.7267 10.6088 10.6088 12.6008 12.6008 12.9358 12.9358 14.4070 14.4070 15.3789 15.3789 k = 0.3304 0.3304 0.3277 ( 3476 PWs) bands (ev): 0.6867 0.6867 0.8701 0.8701 4.4129 4.4129 5.1346 5.1346 5.4705 5.4705 6.1265 6.1265 6.4348 6.4348 6.6398 6.6398 6.7163 6.7163 6.9666 6.9666 7.0607 7.0607 7.1378 7.1378 7.2022 7.2022 7.3486 7.3486 7.4543 7.4543 7.5941 7.5941 8.0023 8.0023 8.0580 8.0580 8.1153 8.1153 8.1223 8.1223 8.1901 8.1901 8.3374 8.3374 8.5266 8.5266 8.5507 8.5507 8.8427 8.8427 9.0379 9.0379 9.8479 9.8479 10.7727 10.7727 12.5426 12.5426 12.8518 12.8518 14.4452 14.4452 15.4423 15.4423 k = 0.3214 0.3214 0.3277 ( 3472 PWs) bands (ev): 0.6327 0.6327 0.8255 0.8255 4.4139 4.4139 5.1347 5.1347 5.5131 5.5131 6.1494 6.1494 6.4166 6.4166 6.6420 6.6420 6.7233 6.7233 6.9776 6.9776 7.0606 7.0606 7.1283 7.1283 7.2032 7.2032 7.3461 7.3461 7.4562 7.4562 7.6024 7.6024 8.0053 8.0053 8.0585 8.0585 8.1135 8.1135 8.1203 8.1203 8.1966 8.1966 8.3390 8.3390 8.5473 8.5473 8.5736 8.5736 8.8846 8.8846 9.0513 9.0513 9.9630 9.9630 10.9387 10.9387 12.4975 12.4975 12.7726 12.7726 14.4865 14.4865 15.5093 15.5093 k = 0.3125 0.3125 0.3277 ( 3472 PWs) bands (ev): 0.5778 0.5778 0.7792 0.7792 4.4203 4.4203 5.1379 5.1379 5.5574 5.5574 6.1724 6.1724 6.3977 6.3977 6.6441 6.6441 6.7287 6.7287 6.9883 6.9883 7.0603 7.0603 7.1207 7.1207 7.2040 7.2040 7.3438 7.3438 7.4582 7.4582 7.6103 7.6103 8.0088 8.0088 8.0588 8.0588 8.1071 8.1071 8.1231 8.1231 8.2032 8.2032 8.3401 8.3401 8.5680 8.5680 8.5975 8.5975 8.9280 8.9280 9.0655 9.0655 10.0690 10.0690 11.1050 11.1050 12.4680 12.4680 12.6993 12.6993 14.5308 14.5308 15.5799 15.5799 k = 0.3036 0.3036 0.3277 ( 3468 PWs) bands (ev): 0.5222 0.5222 0.7313 0.7313 4.4319 4.4319 5.1441 5.1441 5.6035 5.6035 6.1955 6.1955 6.3786 6.3786 6.6465 6.6465 6.7328 6.7328 6.9981 6.9981 7.0599 7.0599 7.1158 7.1158 7.2047 7.2047 7.3416 7.3416 7.4603 7.4603 7.6178 7.6178 8.0126 8.0126 8.0589 8.0589 8.1006 8.1006 8.1264 8.1264 8.2099 8.2099 8.3411 8.3411 8.5888 8.5888 8.6222 8.6222 8.9727 8.9727 9.0804 9.0804 10.1627 10.1627 11.2694 11.2694 12.4570 12.4570 12.6337 12.6337 14.5782 14.5782 15.6540 15.6540 k = 0.2946 0.2946 0.3277 ( 3468 PWs) bands (ev): 0.4662 0.4662 0.6822 0.6822 4.4485 4.4485 5.1529 5.1529 5.6509 5.6509 6.2183 6.2183 6.3597 6.3597 6.6497 6.6497 6.7355 6.7355 7.0065 7.0065 7.0597 7.0597 7.1139 7.1139 7.2052 7.2052 7.3397 7.3397 7.4625 7.4625 7.6247 7.6247 8.0166 8.0166 8.0587 8.0587 8.0942 8.0942 8.1297 8.1297 8.2168 8.2168 8.3418 8.3418 8.6095 8.6095 8.6474 8.6474 9.0187 9.0187 9.0962 9.0962 10.2411 10.2411 11.4281 11.4281 12.4670 12.4670 12.5790 12.5790 14.6289 14.6289 15.7311 15.7311 k = 0.2857 0.2857 0.3277 ( 3476 PWs) bands (ev): 0.4100 0.4100 0.6322 0.6322 4.4699 4.4699 5.1641 5.1641 5.6997 5.6997 6.2402 6.2402 6.3415 6.3415 6.6538 6.6538 6.7368 6.7368 7.0125 7.0125 7.0608 7.0608 7.1150 7.1150 7.2056 7.2056 7.3379 7.3379 7.4647 7.4647 7.6311 7.6311 8.0207 8.0207 8.0582 8.0582 8.0882 8.0882 8.1330 8.1330 8.2237 8.2237 8.3423 8.3423 8.6304 8.6304 8.6732 8.6732 9.0661 9.0661 9.1128 9.1128 10.3019 10.3019 11.5749 11.5749 12.4985 12.4985 12.5420 12.5420 14.6830 14.6830 15.8089 15.8089 k = 0.2768 0.2768 0.3277 ( 3480 PWs) bands (ev): 0.3537 0.3537 0.5813 0.5813 4.4959 4.4959 5.1773 5.1773 5.7496 5.7496 6.2599 6.2599 6.3252 6.3252 6.6593 6.6593 6.7371 6.7371 7.0155 7.0155 7.0641 7.0641 7.1189 7.1189 7.2059 7.2059 7.3364 7.3364 7.4671 7.4671 7.6370 7.6370 8.0245 8.0245 8.0575 8.0575 8.0829 8.0829 8.1363 8.1363 8.2306 8.2306 8.3427 8.3427 8.6513 8.6513 8.6993 8.6993 9.1147 9.1147 9.1302 9.1302 10.3439 10.3439 11.7003 11.7003 12.5195 12.5195 12.5646 12.5646 14.7407 14.7407 15.8649 15.8649 k = 0.2679 0.2679 0.3277 ( 3476 PWs) bands (ev): 0.2977 0.2977 0.5300 0.5300 4.5260 4.5260 5.1922 5.1922 5.8004 5.8004 6.2727 6.2727 6.3156 6.3156 6.6666 6.6666 6.7364 6.7364 7.0161 7.0161 7.0695 7.0695 7.1253 7.1253 7.2063 7.2063 7.3352 7.3352 7.4697 7.4697 7.6426 7.6426 8.0276 8.0276 8.0564 8.0564 8.0786 8.0786 8.1395 8.1395 8.2376 8.2376 8.3431 8.3431 8.6722 8.6722 8.7259 8.7259 9.1485 9.1485 9.1646 9.1646 10.3670 10.3670 11.7917 11.7917 12.5424 12.5424 12.6456 12.6456 14.8020 14.8020 15.8820 15.8820 k = 0.2589 0.2589 0.3277 ( 3476 PWs) bands (ev): 0.2420 0.2420 0.4783 0.4783 4.5601 4.5601 5.2084 5.2084 5.8520 5.8520 6.2695 6.2695 6.3215 6.3215 6.6758 6.6758 6.7347 6.7347 7.0157 7.0157 7.0763 7.0763 7.1337 7.1337 7.2069 7.2069 7.3344 7.3344 7.4725 7.4725 7.6477 7.6477 8.0298 8.0298 8.0548 8.0548 8.0757 8.0757 8.1426 8.1426 8.2446 8.2446 8.3434 8.3434 8.6933 8.6933 8.7529 8.7529 9.1676 9.1676 9.2158 9.2158 10.3726 10.3726 11.8403 11.8403 12.6069 12.6069 12.7512 12.7512 14.8669 14.8669 15.8896 15.8896 k = 0.2500 0.2500 0.3277 ( 3476 PWs) bands (ev): 0.1869 0.1869 0.4267 0.4267 4.5978 4.5978 5.2256 5.2256 5.9042 5.9042 6.2563 6.2563 6.3369 6.3369 6.6872 6.6872 6.7323 6.7323 7.0153 7.0153 7.0837 7.0837 7.1438 7.1438 7.2077 7.2077 7.3339 7.3339 7.4756 7.4756 7.6525 7.6525 8.0304 8.0304 8.0528 8.0528 8.0746 8.0746 8.1455 8.1455 8.2516 8.2516 8.3437 8.3437 8.7143 8.7143 8.7802 8.7802 9.1876 9.1876 9.2682 9.2682 10.3628 10.3628 11.8498 11.8498 12.7097 12.7097 12.8773 12.8773 14.9354 14.9354 15.8912 15.8912 k = 0.2411 0.2411 0.3277 ( 3480 PWs) bands (ev): 0.1325 0.1325 0.3752 0.3752 4.6387 4.6387 5.2434 5.2434 5.9568 5.9568 6.2411 6.2411 6.3537 6.3537 6.7011 6.7011 6.7293 6.7293 7.0158 7.0158 7.0912 7.0912 7.1552 7.1552 7.2089 7.2089 7.3337 7.3337 7.4788 7.4788 7.6569 7.6569 8.0293 8.0293 8.0505 8.0505 8.0752 8.0752 8.1481 8.1481 8.2586 8.2586 8.3439 8.3439 8.7354 8.7354 8.8079 8.8079 9.2085 9.2085 9.3217 9.3217 10.3403 10.3403 11.8326 11.8326 12.8378 12.8378 13.0201 13.0201 15.0069 15.0069 15.8834 15.8834 k = 0.2321 0.2321 0.3277 ( 3478 PWs) bands (ev): 0.0791 0.0791 0.3241 0.3241 4.6825 4.6825 5.2615 5.2615 6.0095 6.0095 6.2259 6.2259 6.3699 6.3699 6.7176 6.7176 6.7259 6.7259 7.0177 7.0177 7.0986 7.0986 7.1677 7.1677 7.2106 7.2106 7.3339 7.3339 7.4823 7.4823 7.6611 7.6611 8.0267 8.0267 8.0481 8.0481 8.0772 8.0772 8.1506 8.1506 8.2655 8.2655 8.3441 8.3441 8.7566 8.7566 8.8361 8.8361 9.2303 9.2303 9.3764 9.3764 10.3076 10.3076 11.7996 11.7996 12.9791 12.9791 13.1759 13.1759 15.0795 15.0795 15.8518 15.8518 k = 0.2232 0.2232 0.3277 ( 3478 PWs) bands (ev): 0.0266 0.0266 0.2736 0.2736 4.7287 4.7287 5.2796 5.2796 6.0621 6.0621 6.2115 6.2115 6.3847 6.3847 6.7217 6.7217 6.7373 6.7373 7.0213 7.0213 7.1060 7.1060 7.1809 7.1809 7.2131 7.2131 7.3346 7.3346 7.4860 7.4860 7.6650 7.6650 8.0229 8.0229 8.0457 8.0457 8.0800 8.0800 8.1527 8.1527 8.2723 8.2723 8.3444 8.3444 8.7777 8.7777 8.8647 8.8647 9.2529 9.2529 9.4321 9.4321 10.2671 10.2671 11.7579 11.7579 13.1251 13.1251 13.3408 13.3408 15.1483 15.1483 15.7621 15.7621 k = 0.2143 0.2143 0.3277 ( 3492 PWs) bands (ev): -0.0246 -0.0246 0.2238 0.2238 4.7769 4.7769 5.2973 5.2973 6.1144 6.1144 6.1982 6.1982 6.3978 6.3978 6.7175 6.7175 6.7595 6.7595 7.0268 7.0268 7.1130 7.1130 7.1942 7.1942 7.2165 7.2165 7.3356 7.3356 7.4899 7.4899 7.6687 7.6687 8.0181 8.0181 8.0431 8.0431 8.0831 8.0831 8.1544 8.1544 8.2790 8.2790 8.3446 8.3446 8.7987 8.7987 8.8939 8.8939 9.2764 9.2764 9.4887 9.4887 10.2209 10.2209 11.7114 11.7114 13.2690 13.2690 13.5121 13.5121 15.1991 15.1991 15.6458 15.6458 k = 0.2054 0.2054 0.3277 ( 3482 PWs) bands (ev): -0.0746 -0.0746 0.1750 0.1750 4.8266 4.8266 5.3145 5.3145 6.1656 6.1656 6.1869 6.1869 6.4092 6.4092 6.7133 6.7133 6.7849 6.7849 7.0344 7.0344 7.1201 7.1201 7.2071 7.2071 7.2218 7.2218 7.3372 7.3372 7.4941 7.4941 7.6725 7.6725 8.0130 8.0130 8.0405 8.0405 8.0863 8.0863 8.1560 8.1560 8.2856 8.2856 8.3451 8.3451 8.8198 8.8198 8.9237 8.9237 9.3008 9.3008 9.5461 9.5461 10.1706 10.1706 11.6625 11.6625 13.4047 13.4047 13.6875 13.6875 15.1988 15.1988 15.5744 15.5744 k = 0.1964 0.1964 0.3277 ( 3482 PWs) bands (ev): -0.1232 -0.1232 0.1274 0.1274 4.8774 4.8774 5.3308 5.3308 6.1753 6.1753 6.2179 6.2179 6.4186 6.4186 6.7088 6.7088 6.8132 6.8132 7.0438 7.0438 7.1270 7.1270 7.2178 7.2178 7.2302 7.2302 7.3394 7.3394 7.4986 7.4986 7.6761 7.6761 8.0074 8.0074 8.0377 8.0377 8.0892 8.0892 8.1572 8.1572 8.2922 8.2922 8.3455 8.3455 8.8407 8.8407 8.9542 8.9542 9.3261 9.3261 9.6039 9.6039 10.1180 10.1180 11.6122 11.6122 13.5251 13.5251 13.8652 13.8652 15.1314 15.1314 15.5617 15.5617 k = 0.1875 0.1875 0.3277 ( 3482 PWs) bands (ev): -0.1702 -0.1702 0.0810 0.0810 4.9286 4.9286 5.3462 5.3462 6.1672 6.1672 6.2676 6.2676 6.4264 6.4264 6.7043 6.7043 6.8444 6.8444 7.0550 7.0550 7.1338 7.1338 7.2258 7.2258 7.2424 7.2424 7.3422 7.3422 7.5033 7.5033 7.6798 7.6798 8.0016 8.0016 8.0346 8.0346 8.0919 8.0919 8.1579 8.1579 8.2986 8.2986 8.3461 8.3461 8.8617 8.8617 8.9852 8.9852 9.3523 9.3523 9.6617 9.6617 10.0644 10.0644 11.5614 11.5614 13.6218 13.6218 14.0429 14.0429 15.0390 15.0390 15.5239 15.5239 k = 0.1786 0.1786 0.3277 ( 3478 PWs) bands (ev): -0.2156 -0.2156 0.0359 0.0359 4.9797 4.9797 5.3605 5.3605 6.1611 6.1611 6.3158 6.3158 6.4328 6.4328 6.6998 6.6998 6.8784 6.8784 7.0677 7.0677 7.1406 7.1406 7.2332 7.2332 7.2560 7.2560 7.3458 7.3458 7.5084 7.5084 7.6836 7.6836 7.9956 7.9956 8.0313 8.0313 8.0941 8.0941 8.1583 8.1583 8.3048 8.3048 8.3467 8.3467 8.8826 8.8826 9.0170 9.0170 9.3793 9.3793 9.7184 9.7184 10.0118 10.0118 11.5103 11.5103 13.6853 13.6853 14.2170 14.2170 14.9608 14.9608 15.3977 15.3977 k = 0.1696 0.1696 0.3277 ( 3476 PWs) bands (ev): -0.2593 -0.2593 -0.0075 -0.0075 5.0300 5.0300 5.3736 5.3736 6.1576 6.1576 6.3619 6.3619 6.4384 6.4384 6.6953 6.6953 6.9151 6.9151 7.0818 7.0818 7.1475 7.1475 7.2408 7.2408 7.2699 7.2699 7.3502 7.3502 7.5138 7.5138 7.6875 7.6875 7.9894 7.9894 8.0277 8.0277 8.0956 8.0956 8.1583 8.1583 8.3108 8.3108 8.3476 8.3476 8.9034 8.9034 9.0493 9.0493 9.4071 9.4071 9.7707 9.7707 9.9642 9.9642 11.4592 11.4592 13.7071 13.7071 14.3799 14.3799 14.9187 14.9187 15.2330 15.2330 k = 0.1607 0.1607 0.3277 ( 3476 PWs) bands (ev): -0.3012 -0.3012 -0.0494 -0.0494 5.0790 5.0790 5.3855 5.3855 6.1568 6.1568 6.4029 6.4029 6.4458 6.4458 6.6909 6.6909 6.9541 6.9541 7.0969 7.0969 7.1548 7.1548 7.2487 7.2487 7.2838 7.2838 7.3555 7.3555 7.5193 7.5193 7.6916 7.6916 7.9831 7.9831 8.0237 8.0237 8.0964 8.0964 8.1578 8.1578 8.3164 8.3164 8.3488 8.3488 8.9242 8.9242 9.0822 9.0822 9.4355 9.4355 9.8059 9.8059 9.9349 9.9349 11.4083 11.4083 13.6849 13.6849 14.5112 14.5112 14.9277 14.9277 15.0750 15.0750 k = 0.1518 0.1518 0.3277 ( 3480 PWs) bands (ev): -0.3412 -0.3412 -0.0895 -0.0895 5.1259 5.1259 5.3962 5.3962 6.1591 6.1591 6.4274 6.4274 6.4667 6.4667 6.6866 6.6866 6.9953 6.9953 7.1127 7.1127 7.1625 7.1625 7.2569 7.2569 7.2975 7.2975 7.3618 7.3618 7.5251 7.5251 7.6960 7.6960 7.9764 7.9764 8.0194 8.0194 8.0966 8.0966 8.1571 8.1571 8.3217 8.3217 8.3503 8.3503 8.9448 8.9448 9.1156 9.1156 9.4643 9.4643 9.7982 9.7982 9.9505 9.9505 11.3575 11.3575 13.6245 13.6245 14.5640 14.5640 14.9551 14.9551 15.0076 15.0076 k = 0.1429 0.1429 0.3277 ( 3484 PWs) bands (ev): -0.3792 -0.3792 -0.1278 -0.1278 5.1701 5.1701 5.4056 5.4056 6.1647 6.1647 6.4337 6.4337 6.5025 6.5025 6.6826 6.6826 7.0381 7.0381 7.1290 7.1290 7.1707 7.1707 7.2652 7.2652 7.3108 7.3108 7.3691 7.3691 7.5311 7.5311 7.7006 7.7006 7.9694 7.9694 8.0145 8.0145 8.0960 8.0960 8.1561 8.1561 8.3263 8.3263 8.3523 8.3523 8.9655 8.9655 9.1490 9.1490 9.4930 9.4930 9.7618 9.7618 9.9973 9.9973 11.3068 11.3068 13.5372 13.5372 14.4982 14.4982 14.9294 14.9294 15.1325 15.1325 k = 0.1339 0.1339 0.3277 ( 3480 PWs) bands (ev): -0.4153 -0.4153 -0.1641 -0.1641 5.2111 5.2111 5.4139 5.4139 6.1738 6.1738 6.4350 6.4350 6.5401 6.5401 6.6788 6.6788 7.0824 7.0824 7.1454 7.1454 7.1796 7.1796 7.2738 7.2738 7.3240 7.3240 7.3774 7.3774 7.5373 7.5373 7.7057 7.7057 7.9621 7.9621 8.0091 8.0091 8.0947 8.0947 8.1548 8.1548 8.3304 8.3304 8.3550 8.3550 8.9860 8.9860 9.1821 9.1821 9.5207 9.5207 9.7209 9.7209 10.0528 10.0528 11.2563 11.2563 13.4340 13.4340 14.3609 14.3609 14.9511 14.9511 15.2688 15.2688 k = 0.1250 0.1250 0.3277 ( 3480 PWs) bands (ev): -0.4492 -0.4492 -0.1984 -0.1984 5.2484 5.2484 5.4211 5.4211 6.1862 6.1862 6.4345 6.4345 6.5761 6.5761 6.6754 6.6754 7.1276 7.1276 7.1618 7.1618 7.1892 7.1892 7.2824 7.2824 7.3370 7.3370 7.3864 7.3864 7.5438 7.5438 7.7111 7.7111 7.9543 7.9543 8.0032 8.0032 8.0927 8.0927 8.1534 8.1534 8.3337 8.3337 8.3581 8.3581 9.0064 9.0064 9.2140 9.2140 9.5445 9.5445 9.6855 9.6855 10.1105 10.1105 11.2059 11.2059 13.3233 13.3233 14.2025 14.2025 14.9711 14.9711 15.2411 15.2411 k = 0.1161 0.1161 0.3277 ( 3476 PWs) bands (ev): -0.4810 -0.4810 -0.2306 -0.2306 5.2817 5.2817 5.4273 5.4273 6.2017 6.2017 6.4333 6.4333 6.6094 6.6094 6.6728 6.6728 7.1726 7.1726 7.1786 7.1786 7.1993 7.1993 7.2915 7.2915 7.3498 7.3498 7.3961 7.3961 7.5503 7.5503 7.7168 7.7168 7.9460 7.9460 7.9966 7.9966 8.0899 8.0899 8.1519 8.1519 8.3364 8.3364 8.3620 8.3620 9.0267 9.0267 9.2433 9.2433 9.5572 9.5572 9.6656 9.6656 10.1682 10.1682 11.1557 11.1557 13.2109 13.2109 14.0406 14.0406 14.9524 14.9524 15.2243 15.2243 k = 0.1071 0.1071 0.3277 ( 3476 PWs) bands (ev): -0.5107 -0.5107 -0.2607 -0.2607 5.3108 5.3108 5.4325 5.4325 6.2201 6.2201 6.4314 6.4314 6.6380 6.6380 6.6724 6.6724 7.1934 7.1934 7.2094 7.2094 7.2191 7.2191 7.3016 7.3016 7.3625 7.3625 7.4062 7.4062 7.5568 7.5568 7.7229 7.7229 7.9369 7.9369 7.9891 7.9891 8.0866 8.0866 8.1501 8.1501 8.3385 8.3385 8.3663 8.3663 9.0469 9.0469 9.2681 9.2681 9.5524 9.5524 9.6704 9.6704 10.2249 10.2249 11.1060 11.1060 13.1006 13.1006 13.8811 13.8811 14.8908 14.8908 15.2507 15.2507 k = 0.0982 0.0982 0.3277 ( 3486 PWs) bands (ev): -0.5381 -0.5381 -0.2886 -0.2886 5.3358 5.3358 5.4369 5.4369 6.2406 6.2406 6.4293 6.4293 6.6541 6.6541 6.6822 6.6822 7.2086 7.2086 7.2198 7.2198 7.2623 7.2623 7.3142 7.3142 7.3751 7.3751 7.4168 7.4168 7.5634 7.5634 7.7292 7.7292 7.9270 7.9270 7.9806 7.9806 8.0828 8.0828 8.1481 8.1481 8.3400 8.3400 8.3708 8.3708 9.0669 9.0669 9.2849 9.2849 9.5407 9.5407 9.6926 9.6926 10.2797 10.2797 11.0569 11.0569 12.9949 12.9949 13.7269 13.7269 14.8097 14.8097 15.2969 15.2969 k = 0.0893 0.0893 0.3277 ( 3486 PWs) bands (ev): -0.5633 -0.5633 -0.3142 -0.3142 5.3568 5.3568 5.4406 5.4406 6.2626 6.2626 6.4270 6.4270 6.6560 6.6560 6.7038 6.7038 7.2227 7.2227 7.2296 7.2296 7.2993 7.2993 7.3334 7.3334 7.3875 7.3875 7.4280 7.4280 7.5700 7.5700 7.7357 7.7357 7.9161 7.9161 7.9711 7.9711 8.0786 8.0786 8.1463 8.1463 8.3414 8.3414 8.3755 8.3755 9.0866 9.0866 9.2908 9.2908 9.5353 9.5353 9.7218 9.7218 10.3318 10.3318 11.0091 11.0091 12.8957 12.8957 13.5796 13.5796 14.7237 14.7237 15.3123 15.3123 k = 0.0804 0.0804 0.3277 ( 3486 PWs) bands (ev): -0.5862 -0.5862 -0.3375 -0.3375 5.3743 5.3743 5.4436 5.4436 6.2854 6.2854 6.4247 6.4247 6.6544 6.6544 6.7263 6.7263 7.2354 7.2354 7.2387 7.2387 7.3244 7.3244 7.3639 7.3639 7.4002 7.4002 7.4403 7.4403 7.5765 7.5765 7.7421 7.7421 7.9041 7.9041 7.9606 7.9606 8.0743 8.0743 8.1445 8.1445 8.3425 8.3425 8.3801 8.3801 9.1059 9.1059 9.2848 9.2848 9.5409 9.5409 9.7536 9.7536 10.3803 10.3803 10.9632 10.9632 12.8043 12.8043 13.4406 13.4406 14.6390 14.6390 15.2048 15.2048 k = 0.0714 0.0714 0.3277 ( 3484 PWs) bands (ev): -0.6067 -0.6067 -0.3584 -0.3584 5.3885 5.3885 5.4462 5.4462 6.3080 6.3080 6.4223 6.4223 6.6522 6.6522 6.7471 6.7471 7.2462 7.2462 7.2470 7.2470 7.3437 7.3437 7.3944 7.3944 7.4158 7.4158 7.4559 7.4559 7.5830 7.5830 7.7485 7.7485 7.8910 7.8910 7.9487 7.9487 8.0700 8.0700 8.1428 8.1428 8.3436 8.3436 8.3845 8.3845 9.1247 9.1247 9.2700 9.2700 9.5559 9.5559 9.7861 9.7861 10.4241 10.4241 10.9203 10.9203 12.7215 12.7215 13.3111 13.3111 14.5585 14.5585 15.1060 15.1060 k = 0.0625 0.0625 0.3277 ( 3484 PWs) bands (ev): -0.6249 -0.6249 -0.3770 -0.3770 5.3999 5.3999 5.4482 5.4482 6.3297 6.3297 6.4201 6.4201 6.6499 6.6499 6.7654 6.7654 7.2535 7.2535 7.2557 7.2557 7.3626 7.3626 7.4122 7.4122 7.4369 7.4369 7.4786 7.4786 7.5892 7.5892 7.7547 7.7547 7.8767 7.8767 7.9356 7.9356 8.0658 8.0658 8.1412 8.1412 8.3445 8.3445 8.3887 8.3887 9.1425 9.1425 9.2506 9.2506 9.5761 9.5761 9.8183 9.8183 10.4619 10.4619 10.8818 10.8818 12.6480 12.6480 13.1922 13.1922 14.4841 14.4841 15.0166 15.0166 k = 0.0536 0.0536 0.3277 ( 3484 PWs) bands (ev): -0.6407 -0.6407 -0.3932 -0.3932 5.4089 5.4089 5.4498 5.4498 6.3498 6.3498 6.4180 6.4180 6.6478 6.6478 6.7813 6.7813 7.2592 7.2592 7.2632 7.2632 7.3813 7.3813 7.4227 7.4227 7.4558 7.4558 7.5091 7.5091 7.5954 7.5954 7.7606 7.7606 7.8612 7.8612 7.9212 7.9212 8.0619 8.0619 8.1398 8.1398 8.3452 8.3452 8.3925 8.3925 9.1593 9.1593 9.2299 9.2299 9.5981 9.5981 9.8492 9.8492 10.4924 10.4924 10.8492 10.8492 12.5841 12.5841 13.0854 13.0854 14.4173 14.4173 14.9373 14.9373 k = 0.0446 0.0446 0.3277 ( 3480 PWs) bands (ev): -0.6541 -0.6541 -0.4069 -0.4069 5.4160 5.4160 5.4509 5.4509 6.3677 6.3677 6.4163 6.4163 6.6458 6.6458 6.7946 6.7946 7.2636 7.2636 7.2692 7.2692 7.3985 7.3985 7.4304 7.4304 7.4729 7.4729 7.5417 7.5417 7.6016 7.6016 7.7662 7.7662 7.8450 7.8450 7.9056 7.9056 8.0585 8.0585 8.1385 8.1385 8.3459 8.3459 8.3960 8.3960 9.1744 9.1744 9.2103 9.2103 9.6196 9.6196 9.8779 9.8779 10.5143 10.5143 10.8242 10.8242 12.5300 12.5300 12.9917 12.9917 14.3589 14.3589 14.8687 14.8687 k = 0.0357 0.0357 0.3277 ( 3472 PWs) bands (ev): -0.6651 -0.6651 -0.4181 -0.4181 5.4212 5.4212 5.4518 5.4518 6.3829 6.3829 6.4148 6.4148 6.6441 6.6441 6.8056 6.8056 7.2671 7.2671 7.2740 7.2740 7.4129 7.4129 7.4362 7.4362 7.4905 7.4905 7.5713 7.5713 7.6087 7.6087 7.7716 7.7716 7.8287 7.8287 7.8891 7.8891 8.0555 8.0555 8.1375 8.1375 8.3464 8.3464 8.3990 8.3990 9.1855 9.1855 9.1950 9.1950 9.6388 9.6388 9.9034 9.9034 10.5273 10.5273 10.8077 10.8077 12.4858 12.4858 12.9127 12.9127 14.3100 14.3100 14.8116 14.8116 k = 0.0268 0.0268 0.3277 ( 3484 PWs) bands (ev): -0.6737 -0.6737 -0.4269 -0.4269 5.4250 5.4250 5.4523 5.4523 6.3950 6.3950 6.4136 6.4136 6.6427 6.6427 6.8139 6.8139 7.2696 7.2696 7.2776 7.2776 7.4239 7.4239 7.4402 7.4402 7.5084 7.5084 7.5927 7.5927 7.6192 7.6192 7.7768 7.7768 7.8133 7.8133 7.8722 7.8722 8.0531 8.0531 8.1367 8.1367 8.3467 8.3467 8.4012 8.4012 9.1769 9.1769 9.2002 9.2002 9.6546 9.6546 9.9247 9.9247 10.5327 10.5327 10.7989 10.7989 12.4515 12.4515 12.8496 12.8496 14.2713 14.2713 14.7665 14.7665 k = 0.0179 0.0179 0.3277 ( 3480 PWs) bands (ev): -0.6798 -0.6798 -0.4332 -0.4332 5.4277 5.4277 5.4527 5.4527 6.4037 6.4037 6.4129 6.4129 6.6417 6.6417 6.8200 6.8200 7.2713 7.2713 7.2802 7.2802 7.4319 7.4319 7.4424 7.4424 7.5245 7.5245 7.6030 7.6030 7.6341 7.6341 7.7822 7.7822 7.8006 7.8006 7.8561 7.8561 8.0514 8.0514 8.1362 8.1362 8.3470 8.3470 8.4029 8.4029 9.1666 9.1666 9.2082 9.2082 9.6665 9.6665 9.9407 9.9407 10.5331 10.5331 10.7954 10.7954 12.4270 12.4270 12.8036 12.8036 14.2432 14.2432 14.7338 14.7338 k = 0.0089 0.0089 0.3277 ( 3480 PWs) bands (ev): -0.6835 -0.6835 -0.4369 -0.4369 5.4292 5.4292 5.4530 5.4530 6.4084 6.4084 6.4130 6.4130 6.6411 6.6411 6.8236 6.8236 7.2722 7.2722 7.2817 7.2817 7.4372 7.4372 7.4429 7.4429 7.5360 7.5360 7.6073 7.6073 7.6459 7.6459 7.7868 7.7868 7.7928 7.7928 7.8430 7.8430 8.0503 8.0503 8.1359 8.1359 8.3472 8.3472 8.4039 8.4039 9.1602 9.1602 9.2132 9.2132 9.6737 9.6737 9.9507 9.9507 10.5319 10.5319 10.7947 10.7947 12.4124 12.4124 12.7755 12.7755 14.2262 14.2262 14.7141 14.7141 k = 0.0000 0.0000 0.3277 ( 3472 PWs) bands (ev): -0.6847 -0.6847 -0.4382 -0.4382 5.4298 5.4298 5.4531 5.4531 6.4096 6.4096 6.4134 6.4134 6.6409 6.6409 6.8249 6.8249 7.2726 7.2726 7.2822 7.2822 7.4394 7.4394 7.4426 7.4426 7.5402 7.5402 7.6087 7.6087 7.6502 7.6502 7.7872 7.7872 7.7920 7.7920 7.8375 7.8375 8.0500 8.0500 8.1359 8.1359 8.3473 8.3473 8.4042 8.4042 9.1581 9.1581 9.2149 9.2149 9.6762 9.6762 9.9541 9.9541 10.5312 10.5312 10.7947 10.7947 12.4075 12.4075 12.7661 12.7661 14.2205 14.2205 14.7075 14.7075 k = 0.0000 0.5000-0.0000 ( 3460 PWs) bands (ev): 0.3981 0.3981 0.3981 0.3981 4.7100 4.7100 4.7100 4.7100 5.9412 5.9412 5.9412 5.9412 6.4967 6.4967 6.4967 6.4967 6.8426 6.8426 6.8426 6.8426 6.9793 6.9793 6.9793 6.9793 7.3080 7.3080 7.3080 7.3080 7.7466 7.7466 7.7466 7.7466 7.9164 7.9164 7.9164 7.9164 8.0091 8.0091 8.0091 8.0091 8.2338 8.2338 8.2338 8.2338 8.7773 8.7773 8.7773 8.7773 8.9926 8.9926 8.9926 8.9926 11.7723 11.7723 11.7723 11.7723 13.6999 13.6999 13.6999 13.6999 15.7951 15.7951 15.7951 15.7951 k = 0.0000 0.5000 0.0126 ( 3460 PWs) bands (ev): 0.3988 0.3988 0.3988 0.3988 4.7034 4.7034 4.7034 4.7034 5.9458 5.9458 5.9458 5.9458 6.4967 6.4967 6.4967 6.4967 6.8430 6.8430 6.8430 6.8430 6.9793 6.9793 6.9793 6.9793 7.3079 7.3079 7.3079 7.3079 7.7472 7.7472 7.7472 7.7472 7.9168 7.9168 7.9168 7.9168 8.0089 8.0089 8.0089 8.0089 8.2339 8.2339 8.2339 8.2339 8.7708 8.7708 8.7708 8.7708 9.0027 9.0027 9.0027 9.0027 11.7738 11.7738 11.7738 11.7738 13.7003 13.7003 13.7003 13.7003 15.7835 15.7835 15.7835 15.7835 k = 0.0000 0.5000 0.0252 ( 3472 PWs) bands (ev): 0.4006 0.4006 0.4006 0.4006 4.6841 4.6841 4.6841 4.6841 5.9590 5.9590 5.9590 5.9590 6.4967 6.4967 6.4967 6.4967 6.8442 6.8442 6.8442 6.8442 6.9794 6.9794 6.9794 6.9794 7.3075 7.3075 7.3075 7.3075 7.7492 7.7492 7.7492 7.7492 7.9181 7.9181 7.9181 7.9181 8.0085 8.0085 8.0085 8.0085 8.2343 8.2343 8.2343 8.2343 8.7542 8.7542 8.7542 8.7542 9.0303 9.0303 9.0303 9.0303 11.7783 11.7783 11.7783 11.7783 13.7015 13.7015 13.7015 13.7015 15.7496 15.7496 15.7496 15.7496 k = 0.0000 0.5000 0.0378 ( 3464 PWs) bands (ev): 0.4037 0.4037 0.4037 0.4037 4.6533 4.6533 4.6533 4.6533 5.9798 5.9798 5.9798 5.9798 6.4970 6.4970 6.4970 6.4970 6.8463 6.8463 6.8463 6.8463 6.9796 6.9796 6.9796 6.9796 7.3070 7.3070 7.3070 7.3070 7.7524 7.7524 7.7524 7.7524 7.9202 7.9202 7.9202 7.9202 8.0078 8.0078 8.0078 8.0078 8.2352 8.2352 8.2352 8.2352 8.7322 8.7322 8.7322 8.7322 9.0707 9.0707 9.0707 9.0707 11.7857 11.7857 11.7857 11.7857 13.7034 13.7034 13.7034 13.7034 15.6949 15.6949 15.6949 15.6949 k = 0.0000 0.5000 0.0504 ( 3464 PWs) bands (ev): 0.4080 0.4080 0.4080 0.4080 4.6126 4.6126 4.6126 4.6126 6.0065 6.0065 6.0065 6.0065 6.4972 6.4972 6.4972 6.4972 6.8491 6.8491 6.8491 6.8491 6.9799 6.9799 6.9799 6.9799 7.3065 7.3065 7.3065 7.3065 7.7567 7.7567 7.7567 7.7567 7.9231 7.9231 7.9231 7.9231 8.0071 8.0071 8.0071 8.0071 8.2361 8.2361 8.2361 8.2361 8.7082 8.7082 8.7082 8.7082 9.1206 9.1206 9.1206 9.1206 11.7961 11.7961 11.7961 11.7961 13.7058 13.7058 13.7058 13.7058 15.6222 15.6222 15.6222 15.6222 k = 0.0000 0.5000 0.0630 ( 3470 PWs) bands (ev): 0.4134 0.4134 0.4134 0.4134 4.5638 4.5638 4.5638 4.5638 6.0373 6.0373 6.0373 6.0373 6.4975 6.4975 6.4975 6.4975 6.8526 6.8526 6.8526 6.8526 6.9802 6.9802 6.9802 6.9802 7.3057 7.3057 7.3057 7.3057 7.7618 7.7618 7.7618 7.7618 7.9267 7.9267 7.9267 7.9267 8.0063 8.0063 8.0063 8.0063 8.2374 8.2374 8.2374 8.2374 8.6839 8.6839 8.6839 8.6839 9.1784 9.1784 9.1784 9.1784 11.8093 11.8093 11.8093 11.8093 13.7085 13.7085 13.7085 13.7085 15.5346 15.5346 15.5346 15.5346 k = 0.0000 0.5000 0.0756 ( 3478 PWs) bands (ev): 0.4200 0.4200 0.4200 0.4200 4.5089 4.5089 4.5089 4.5089 6.0705 6.0705 6.0705 6.0705 6.4978 6.4978 6.4978 6.4978 6.8568 6.8568 6.8568 6.8568 6.9807 6.9807 6.9807 6.9807 7.3048 7.3048 7.3048 7.3048 7.7676 7.7676 7.7676 7.7676 7.9309 7.9309 7.9309 7.9309 8.0057 8.0057 8.0057 8.0057 8.2388 8.2388 8.2388 8.2388 8.6601 8.6601 8.6601 8.6601 9.2433 9.2433 9.2433 9.2433 11.8253 11.8253 11.8253 11.8253 13.7110 13.7110 13.7110 13.7110 15.4353 15.4353 15.4353 15.4353 k = 0.0000 0.5000 0.0882 ( 3482 PWs) bands (ev): 0.4275 0.4275 0.4275 0.4275 4.4495 4.4495 4.4495 4.4495 6.1045 6.1045 6.1045 6.1045 6.4982 6.4982 6.4982 6.4982 6.8617 6.8617 6.8617 6.8617 6.9814 6.9814 6.9814 6.9814 7.3038 7.3038 7.3038 7.3038 7.7737 7.7737 7.7737 7.7737 7.9354 7.9354 7.9354 7.9354 8.0057 8.0057 8.0057 8.0057 8.2405 8.2405 8.2405 8.2405 8.6372 8.6372 8.6372 8.6372 9.3152 9.3152 9.3152 9.3152 11.8439 11.8439 11.8439 11.8439 13.7130 13.7130 13.7130 13.7130 15.3275 15.3275 15.3275 15.3275 k = 0.0000 0.5000 0.1008 ( 3472 PWs) bands (ev): 0.4360 0.4360 0.4360 0.4360 4.3870 4.3870 4.3870 4.3870 6.1383 6.1383 6.1383 6.1383 6.4987 6.4987 6.4987 6.4987 6.8671 6.8671 6.8671 6.8671 6.9823 6.9823 6.9823 6.9823 7.3028 7.3028 7.3028 7.3028 7.7801 7.7801 7.7801 7.7801 7.9401 7.9401 7.9401 7.9401 8.0066 8.0066 8.0066 8.0066 8.2422 8.2422 8.2422 8.2422 8.6153 8.6153 8.6153 8.6153 9.3940 9.3940 9.3940 9.3940 11.8650 11.8650 11.8650 11.8650 13.7135 13.7135 13.7135 13.7135 15.2141 15.2141 15.2141 15.2141 k = 0.0000 0.5000 0.1134 ( 3472 PWs) bands (ev): 0.4454 0.4454 0.4454 0.4454 4.3226 4.3226 4.3226 4.3226 6.1708 6.1708 6.1708 6.1708 6.4992 6.4992 6.4992 6.4992 6.8728 6.8728 6.8728 6.8728 6.9834 6.9834 6.9834 6.9834 7.3016 7.3016 7.3016 7.3016 7.7865 7.7865 7.7865 7.7865 7.9444 7.9444 7.9444 7.9444 8.0089 8.0089 8.0089 8.0089 8.2441 8.2441 8.2441 8.2441 8.5945 8.5945 8.5945 8.5945 9.4796 9.4796 9.4796 9.4796 11.8885 11.8885 11.8885 11.8885 13.7117 13.7117 13.7117 13.7117 15.0976 15.0976 15.0976 15.0976 k = 0.0000 0.5000 0.1260 ( 3484 PWs) bands (ev): 0.4555 0.4555 0.4555 0.4555 4.2576 4.2576 4.2576 4.2576 6.2015 6.2015 6.2015 6.2015 6.4997 6.4997 6.4997 6.4997 6.8786 6.8786 6.8786 6.8786 6.9846 6.9846 6.9846 6.9846 7.3005 7.3005 7.3005 7.3005 7.7925 7.7925 7.7925 7.7925 7.9477 7.9477 7.9477 7.9477 8.0129 8.0129 8.0129 8.0129 8.2459 8.2459 8.2459 8.2459 8.5746 8.5746 8.5746 8.5746 9.5721 9.5721 9.5721 9.5721 11.9141 11.9141 11.9141 11.9141 13.7061 13.7061 13.7061 13.7061 14.9807 14.9807 14.9807 14.9807 k = 0.0000 0.5000 0.1386 ( 3482 PWs) bands (ev): 0.4662 0.4662 0.4662 0.4662 4.1927 4.1927 4.1927 4.1927 6.2298 6.2298 6.2298 6.2298 6.5003 6.5003 6.5003 6.5003 6.8845 6.8845 6.8845 6.8845 6.9863 6.9863 6.9863 6.9863 7.2994 7.2994 7.2994 7.2994 7.7982 7.7982 7.7982 7.7982 7.9498 7.9498 7.9498 7.9498 8.0191 8.0191 8.0191 8.0191 8.2478 8.2478 8.2478 8.2478 8.5557 8.5557 8.5557 8.5557 9.6714 9.6714 9.6714 9.6714 11.9417 11.9417 11.9417 11.9417 13.6946 13.6946 13.6946 13.6946 14.8663 14.8663 14.8663 14.8663 k = 0.0000 0.5000 0.1512 ( 3486 PWs) bands (ev): 0.4774 0.4774 0.4774 0.4774 4.1287 4.1287 4.1287 4.1287 6.2556 6.2556 6.2556 6.2556 6.5009 6.5009 6.5009 6.5009 6.8902 6.8902 6.8902 6.8902 6.9882 6.9882 6.9882 6.9882 7.2982 7.2982 7.2982 7.2982 7.8034 7.8034 7.8034 7.8034 7.9507 7.9507 7.9507 7.9507 8.0272 8.0272 8.0272 8.0272 8.2497 8.2497 8.2497 8.2497 8.5377 8.5377 8.5377 8.5377 9.7774 9.7774 9.7774 9.7774 11.9709 11.9709 11.9709 11.9709 13.6746 13.6746 13.6746 13.6746 14.7577 14.7577 14.7577 14.7577 k = 0.0000 0.5000 0.1638 ( 3486 PWs) bands (ev): 0.4889 0.4889 0.4889 0.4889 4.0664 4.0664 4.0664 4.0664 6.2787 6.2787 6.2787 6.2787 6.5016 6.5016 6.5016 6.5016 6.8956 6.8956 6.8956 6.8956 6.9905 6.9905 6.9905 6.9905 7.2972 7.2972 7.2972 7.2972 7.8082 7.8082 7.8082 7.8082 7.9506 7.9506 7.9506 7.9506 8.0370 8.0370 8.0370 8.0370 8.2515 8.2515 8.2515 8.2515 8.5206 8.5206 8.5206 8.5206 9.8897 9.8897 9.8897 9.8897 12.0015 12.0015 12.0015 12.0015 13.6429 13.6429 13.6429 13.6429 14.6585 14.6585 14.6585 14.6585 k = 0.0000 0.5000 0.1764 ( 3482 PWs) bands (ev): 0.5006 0.5006 0.5006 0.5006 4.0064 4.0064 4.0064 4.0064 6.2992 6.2992 6.2992 6.2992 6.5022 6.5022 6.5022 6.5022 6.9005 6.9005 6.9005 6.9005 6.9931 6.9931 6.9931 6.9931 7.2962 7.2962 7.2962 7.2962 7.8123 7.8123 7.8123 7.8123 7.9499 7.9499 7.9499 7.9499 8.0480 8.0480 8.0480 8.0480 8.2532 8.2532 8.2532 8.2532 8.5044 8.5044 8.5044 8.5044 10.0082 10.0082 10.0082 10.0082 12.0331 12.0331 12.0331 12.0331 13.5959 13.5959 13.5959 13.5959 14.5726 14.5726 14.5726 14.5726 k = 0.0000 0.5000 0.1891 ( 3474 PWs) bands (ev): 0.5124 0.5124 0.5124 0.5124 3.9491 3.9491 3.9491 3.9491 6.3173 6.3173 6.3173 6.3173 6.5028 6.5028 6.5028 6.5028 6.9050 6.9050 6.9050 6.9050 6.9961 6.9961 6.9961 6.9961 7.2953 7.2953 7.2953 7.2953 7.8160 7.8160 7.8160 7.8160 7.9487 7.9487 7.9487 7.9487 8.0598 8.0598 8.0598 8.0598 8.2549 8.2549 8.2549 8.2549 8.4890 8.4890 8.4890 8.4890 10.1325 10.1325 10.1325 10.1325 12.0653 12.0653 12.0653 12.0653 13.5307 13.5307 13.5307 13.5307 14.5031 14.5031 14.5031 14.5031 k = 0.0000 0.5000 0.2017 ( 3474 PWs) bands (ev): 0.5239 0.5239 0.5239 0.5239 3.8951 3.8951 3.8951 3.8951 6.3330 6.3330 6.3330 6.3330 6.5034 6.5034 6.5034 6.5034 6.9089 6.9089 6.9089 6.9089 6.9992 6.9992 6.9992 6.9992 7.2944 7.2944 7.2944 7.2944 7.8192 7.8192 7.8192 7.8192 7.9472 7.9472 7.9472 7.9472 8.0719 8.0719 8.0719 8.0719 8.2563 8.2563 8.2563 8.2563 8.4745 8.4745 8.4745 8.4745 10.2620 10.2620 10.2620 10.2620 12.0977 12.0977 12.0977 12.0977 13.4465 13.4465 13.4465 13.4465 14.4513 14.4513 14.4513 14.4513 k = 0.0000 0.5000 0.2143 ( 3474 PWs) bands (ev): 0.5352 0.5352 0.5352 0.5352 3.8448 3.8448 3.8448 3.8448 6.3466 6.3466 6.3466 6.3466 6.5040 6.5040 6.5040 6.5040 6.9121 6.9121 6.9121 6.9121 7.0024 7.0024 7.0024 7.0024 7.2936 7.2936 7.2936 7.2936 7.8219 7.8219 7.8219 7.8219 7.9457 7.9457 7.9457 7.9457 8.0841 8.0841 8.0841 8.0841 8.2576 8.2576 8.2576 8.2576 8.4608 8.4608 8.4608 8.4608 10.3961 10.3961 10.3961 10.3961 12.1298 12.1298 12.1298 12.1298 13.3443 13.3443 13.3443 13.3443 14.4162 14.4162 14.4162 14.4162 k = 0.0000 0.5000 0.2269 ( 3470 PWs) bands (ev): 0.5459 0.5459 0.5459 0.5459 3.7987 3.7987 3.7987 3.7987 6.3582 6.3582 6.3582 6.3582 6.5046 6.5046 6.5046 6.5046 6.9148 6.9148 6.9148 6.9148 7.0057 7.0057 7.0057 7.0057 7.2928 7.2928 7.2928 7.2928 7.8242 7.8242 7.8242 7.8242 7.9442 7.9442 7.9442 7.9442 8.0961 8.0961 8.0961 8.0961 8.2588 8.2588 8.2588 8.2588 8.4480 8.4480 8.4480 8.4480 10.5342 10.5342 10.5342 10.5342 12.1608 12.1608 12.1608 12.1608 13.2274 13.2274 13.2274 13.2274 14.3952 14.3952 14.3952 14.3952 k = 0.0000 0.5000 0.2395 ( 3462 PWs) bands (ev): 0.5559 0.5559 0.5559 0.5559 3.7571 3.7571 3.7571 3.7571 6.3680 6.3680 6.3680 6.3680 6.5051 6.5051 6.5051 6.5051 6.9171 6.9171 6.9171 6.9171 7.0089 7.0089 7.0089 7.0089 7.2922 7.2922 7.2922 7.2922 7.8260 7.8260 7.8260 7.8260 7.9428 7.9428 7.9428 7.9428 8.1077 8.1077 8.1077 8.1077 8.2598 8.2598 8.2598 8.2598 8.4361 8.4361 8.4361 8.4361 10.6751 10.6751 10.6751 10.6751 12.1902 12.1902 12.1902 12.1902 13.0994 13.0994 13.0994 13.0994 14.3850 14.3850 14.3850 14.3850 k = 0.0000 0.5000 0.2521 ( 3458 PWs) bands (ev): 0.5650 0.5650 0.5650 0.5650 3.7203 3.7203 3.7203 3.7203 6.3761 6.3761 6.3761 6.3761 6.5056 6.5056 6.5056 6.5056 6.9188 6.9188 6.9188 6.9188 7.0119 7.0119 7.0119 7.0119 7.2916 7.2916 7.2916 7.2916 7.8276 7.8276 7.8276 7.8276 7.9416 7.9416 7.9416 7.9416 8.1185 8.1185 8.1185 8.1185 8.2606 8.2606 8.2606 8.2606 8.4253 8.4253 8.4253 8.4253 10.8179 10.8179 10.8179 10.8179 12.2170 12.2170 12.2170 12.2170 12.9644 12.9644 12.9644 12.9644 14.3822 14.3822 14.3822 14.3822 k = 0.0000 0.5000 0.2647 ( 3460 PWs) bands (ev): 0.5730 0.5730 0.5730 0.5730 3.6886 3.6886 3.6886 3.6886 6.3827 6.3827 6.3827 6.3827 6.5059 6.5059 6.5059 6.5059 6.9202 6.9202 6.9202 6.9202 7.0145 7.0145 7.0145 7.0145 7.2911 7.2911 7.2911 7.2911 7.8287 7.8287 7.8287 7.8287 7.9405 7.9405 7.9405 7.9405 8.1284 8.1284 8.1284 8.1284 8.2611 8.2611 8.2611 8.2611 8.4157 8.4157 8.4157 8.4157 10.9605 10.9605 10.9605 10.9605 12.2401 12.2401 12.2401 12.2401 12.8268 12.8268 12.8268 12.8268 14.3839 14.3839 14.3839 14.3839 k = 0.0000 0.5000 0.2773 ( 3448 PWs) bands (ev): 0.5798 0.5798 0.5798 0.5798 3.6623 3.6623 3.6623 3.6623 6.3879 6.3879 6.3879 6.3879 6.5064 6.5064 6.5064 6.5064 6.9213 6.9213 6.9213 6.9213 7.0169 7.0169 7.0169 7.0169 7.2907 7.2907 7.2907 7.2907 7.8297 7.8297 7.8297 7.8297 7.9396 7.9396 7.9396 7.9396 8.1371 8.1371 8.1371 8.1371 8.2615 8.2615 8.2615 8.2615 8.4075 8.4075 8.4075 8.4075 11.1004 11.1004 11.1004 11.1004 12.2578 12.2578 12.2578 12.2578 12.6918 12.6918 12.6918 12.6918 14.3868 14.3868 14.3868 14.3868 k = 0.0000 0.5000 0.2899 ( 3450 PWs) bands (ev): 0.5852 0.5852 0.5852 0.5852 3.6416 3.6416 3.6416 3.6416 6.3919 6.3919 6.3919 6.3919 6.5066 6.5066 6.5066 6.5066 6.9220 6.9220 6.9220 6.9220 7.0187 7.0187 7.0187 7.0187 7.2904 7.2904 7.2904 7.2904 7.8304 7.8304 7.8304 7.8304 7.9389 7.9389 7.9389 7.9389 8.1442 8.1442 8.1442 8.1442 8.2617 8.2617 8.2617 8.2617 8.4009 8.4009 8.4009 8.4009 11.2329 11.2329 11.2329 11.2329 12.2670 12.2670 12.2670 12.2670 12.5677 12.5677 12.5677 12.5677 14.3828 14.3828 14.3828 14.3828 k = 0.0000 0.5000 0.3025 ( 3446 PWs) bands (ev): 0.5892 0.5892 0.5892 0.5892 3.6267 3.6267 3.6267 3.6267 6.3947 6.3947 6.3947 6.3947 6.5069 6.5069 6.5069 6.5069 6.9225 6.9225 6.9225 6.9225 7.0201 7.0201 7.0201 7.0201 7.2902 7.2902 7.2902 7.2902 7.8309 7.8309 7.8309 7.8309 7.9384 7.9384 7.9384 7.9384 8.1496 8.1496 8.1496 8.1496 8.2618 8.2618 8.2618 8.2618 8.3959 8.3959 8.3959 8.3959 11.3495 11.3495 11.3495 11.3495 12.2615 12.2615 12.2615 12.2615 12.4690 12.4690 12.4690 12.4690 14.3654 14.3654 14.3654 14.3654 k = 0.0000 0.5000 0.3151 ( 3460 PWs) bands (ev): 0.5916 0.5916 0.5916 0.5916 3.6177 3.6177 3.6177 3.6177 6.3963 6.3963 6.3963 6.3963 6.5069 6.5069 6.5069 6.5069 6.9227 6.9227 6.9227 6.9227 7.0208 7.0208 7.0208 7.0208 7.2900 7.2900 7.2900 7.2900 7.8311 7.8311 7.8311 7.8311 7.9380 7.9380 7.9380 7.9380 8.1529 8.1529 8.1529 8.1529 8.2618 8.2618 8.2618 8.2618 8.3928 8.3928 8.3928 8.3928 11.4350 11.4350 11.4350 11.4350 12.2387 12.2387 12.2387 12.2387 12.4139 12.4139 12.4139 12.4139 14.3515 14.3515 14.3515 14.3515 k = 0.0000 0.5000 0.3277 ( 3460 PWs) bands (ev): 0.5924 0.5924 0.5924 0.5924 3.6147 3.6147 3.6147 3.6147 6.3968 6.3968 6.3968 6.3968 6.5069 6.5069 6.5069 6.5069 6.9228 6.9228 6.9228 6.9228 7.0211 7.0211 7.0211 7.0211 7.2899 7.2899 7.2899 7.2899 7.8312 7.8312 7.8312 7.8312 7.9379 7.9379 7.9379 7.9379 8.1540 8.1540 8.1540 8.1540 8.2618 8.2618 8.2618 8.2618 8.3918 8.3918 8.3918 8.3918 11.4676 11.4676 11.4676 11.4676 12.2235 12.2235 12.2235 12.2235 12.3990 12.3990 12.3990 12.3990 14.3466 14.3466 14.3466 14.3466 k = 0.5000 0.5000-0.0000 ( 3520 PWs) bands (ev): 1.1975 1.1975 1.1975 1.1975 4.5661 4.5661 4.5661 4.5661 6.2423 6.2423 6.2423 6.2423 6.6311 6.6311 6.6311 6.6311 7.2813 7.2813 7.2813 7.2813 7.3826 7.3826 7.3826 7.3826 7.5218 7.5218 7.5218 7.5218 7.6136 7.6136 7.6136 7.6136 7.7013 7.7013 7.7013 7.7013 8.0538 8.0538 8.0538 8.0538 8.3021 8.3021 8.3021 8.3021 8.4162 8.4162 8.4162 8.4162 8.4887 8.4887 8.4887 8.4887 8.6369 8.6369 8.6369 8.6369 10.6584 10.6584 10.6584 10.6584 13.0148 13.0148 13.0148 13.0148 k = 0.5000 0.5000 0.0126 ( 3512 PWs) bands (ev): 1.1977 1.1977 1.1977 1.1977 4.5672 4.5672 4.5672 4.5672 6.2420 6.2420 6.2420 6.2420 6.6293 6.6293 6.6293 6.6293 7.2811 7.2811 7.2811 7.2811 7.3817 7.3817 7.3817 7.3817 7.5160 7.5160 7.5160 7.5160 7.6117 7.6117 7.6117 7.6117 7.7042 7.7042 7.7042 7.7042 8.0556 8.0556 8.0556 8.0556 8.3016 8.3016 8.3016 8.3016 8.4156 8.4156 8.4156 8.4156 8.4853 8.4853 8.4853 8.4853 8.6410 8.6410 8.6410 8.6410 10.6669 10.6669 10.6669 10.6669 13.0200 13.0200 13.0200 13.0200 k = 0.5000 0.5000 0.0252 ( 3508 PWs) bands (ev): 1.1985 1.1985 1.1985 1.1985 4.5705 4.5705 4.5705 4.5705 6.2410 6.2410 6.2410 6.2410 6.6241 6.6241 6.6241 6.6241 7.2803 7.2803 7.2803 7.2803 7.3791 7.3791 7.3791 7.3791 7.5013 7.5013 7.5013 7.5013 7.6034 7.6034 7.6034 7.6034 7.7136 7.7136 7.7136 7.7136 8.0607 8.0607 8.0607 8.0607 8.3001 8.3001 8.3001 8.3001 8.4136 8.4136 8.4136 8.4136 8.4763 8.4763 8.4763 8.4763 8.6522 8.6522 8.6522 8.6522 10.6923 10.6923 10.6923 10.6923 13.0358 13.0358 13.0358 13.0358 k = 0.5000 0.5000 0.0378 ( 3508 PWs) bands (ev): 1.1998 1.1998 1.1998 1.1998 4.5760 4.5760 4.5760 4.5760 6.2391 6.2391 6.2391 6.2391 6.6152 6.6152 6.6152 6.6152 7.2788 7.2788 7.2788 7.2788 7.3745 7.3745 7.3745 7.3745 7.4821 7.4821 7.4821 7.4821 7.5857 7.5857 7.5857 7.5857 7.7294 7.7294 7.7294 7.7294 8.0684 8.0684 8.0684 8.0684 8.2974 8.2974 8.2974 8.2974 8.4100 8.4100 8.4100 8.4100 8.4646 8.4646 8.4646 8.4646 8.6679 8.6679 8.6679 8.6679 10.7340 10.7340 10.7340 10.7340 13.0620 13.0620 13.0620 13.0620 k = 0.5000 0.5000 0.0504 ( 3508 PWs) bands (ev): 1.2016 1.2016 1.2016 1.2016 4.5836 4.5836 4.5836 4.5836 6.2366 6.2366 6.2366 6.2366 6.6027 6.6027 6.6027 6.6027 7.2761 7.2761 7.2761 7.2761 7.3676 7.3676 7.3676 7.3676 7.4616 7.4616 7.4616 7.4616 7.5604 7.5604 7.5604 7.5604 7.7492 7.7492 7.7492 7.7492 8.0777 8.0777 8.0777 8.0777 8.2934 8.2934 8.2934 8.2934 8.4043 8.4043 8.4043 8.4043 8.4531 8.4531 8.4531 8.4531 8.6861 8.6861 8.6861 8.6861 10.7913 10.7913 10.7913 10.7913 13.0986 13.0986 13.0986 13.0986 k = 0.5000 0.5000 0.0630 ( 3508 PWs) bands (ev): 1.2038 1.2038 1.2038 1.2038 4.5933 4.5933 4.5933 4.5933 6.2332 6.2332 6.2332 6.2332 6.5864 6.5864 6.5864 6.5864 7.2717 7.2717 7.2717 7.2717 7.3587 7.3587 7.3587 7.3587 7.4407 7.4407 7.4407 7.4407 7.5309 7.5309 7.5309 7.5309 7.7710 7.7710 7.7710 7.7710 8.0879 8.0879 8.0879 8.0879 8.2880 8.2880 8.2880 8.2880 8.3964 8.3964 8.3964 8.3964 8.4436 8.4436 8.4436 8.4436 8.7054 8.7054 8.7054 8.7054 10.8634 10.8634 10.8634 10.8634 13.1452 13.1452 13.1452 13.1452 k = 0.5000 0.5000 0.0756 ( 3512 PWs) bands (ev): 1.2064 1.2064 1.2064 1.2064 4.6052 4.6052 4.6052 4.6052 6.2290 6.2290 6.2290 6.2290 6.5664 6.5664 6.5664 6.5664 7.2649 7.2649 7.2649 7.2649 7.3487 7.3487 7.3487 7.3487 7.4177 7.4177 7.4177 7.4177 7.5020 7.5020 7.5020 7.5020 7.7933 7.7933 7.7933 7.7933 8.0983 8.0983 8.0983 8.0983 8.2810 8.2810 8.2810 8.2810 8.3866 8.3866 8.3866 8.3866 8.4365 8.4365 8.4365 8.4365 8.7249 8.7249 8.7249 8.7249 10.9493 10.9493 10.9493 10.9493 13.2017 13.2017 13.2017 13.2017 k = 0.5000 0.5000 0.0882 ( 3496 PWs) bands (ev): 1.2095 1.2095 1.2095 1.2095 4.6191 4.6191 4.6191 4.6191 6.2241 6.2241 6.2241 6.2241 6.5428 6.5428 6.5428 6.5428 7.2550 7.2550 7.2550 7.2550 7.3386 7.3386 7.3386 7.3386 7.3898 7.3898 7.3898 7.3898 7.4788 7.4788 7.4788 7.4788 7.8155 7.8155 7.8155 7.8155 8.1086 8.1086 8.1086 8.1086 8.2724 8.2724 8.2724 8.2724 8.3765 8.3765 8.3765 8.3765 8.4315 8.4315 8.4315 8.4315 8.7442 8.7442 8.7442 8.7442 11.0478 11.0478 11.0478 11.0478 13.2679 13.2679 13.2679 13.2679 k = 0.5000 0.5000 0.1008 ( 3504 PWs) bands (ev): 1.2129 1.2129 1.2129 1.2129 4.6349 4.6349 4.6349 4.6349 6.2181 6.2181 6.2181 6.2181 6.5154 6.5154 6.5154 6.5154 7.2418 7.2418 7.2418 7.2418 7.3258 7.3258 7.3258 7.3258 7.3591 7.3591 7.3591 7.3591 7.4630 7.4630 7.4630 7.4630 7.8369 7.8369 7.8369 7.8369 8.1184 8.1184 8.1184 8.1184 8.2621 8.2621 8.2621 8.2621 8.3668 8.3668 8.3668 8.3668 8.4277 8.4277 8.4277 8.4277 8.7628 8.7628 8.7628 8.7628 11.1580 11.1580 11.1580 11.1580 13.3434 13.3434 13.3434 13.3434 k = 0.5000 0.5000 0.1134 ( 3496 PWs) bands (ev): 1.2167 1.2167 1.2167 1.2167 4.6527 4.6527 4.6527 4.6527 6.2113 6.2113 6.2113 6.2113 6.4847 6.4847 6.4847 6.4847 7.2266 7.2266 7.2266 7.2266 7.2981 7.2981 7.2981 7.2981 7.3408 7.3408 7.3408 7.3408 7.4531 7.4531 7.4531 7.4531 7.8575 7.8575 7.8575 7.8575 8.1277 8.1277 8.1277 8.1277 8.2506 8.2506 8.2506 8.2506 8.3583 8.3583 8.3583 8.3583 8.4247 8.4247 8.4247 8.4247 8.7805 8.7805 8.7805 8.7805 11.2788 11.2788 11.2788 11.2788 13.4280 13.4280 13.4280 13.4280 k = 0.5000 0.5000 0.1260 ( 3496 PWs) bands (ev): 1.2207 1.2207 1.2207 1.2207 4.6724 4.6724 4.6724 4.6724 6.2033 6.2033 6.2033 6.2033 6.4509 6.4509 6.4509 6.4509 7.2102 7.2102 7.2102 7.2102 7.2576 7.2576 7.2576 7.2576 7.3348 7.3348 7.3348 7.3348 7.4467 7.4467 7.4467 7.4467 7.8770 7.8770 7.8770 7.8770 8.1362 8.1362 8.1362 8.1362 8.2384 8.2384 8.2384 8.2384 8.3508 8.3508 8.3508 8.3508 8.4222 8.4222 8.4222 8.4222 8.7974 8.7974 8.7974 8.7974 11.4093 11.4093 11.4093 11.4093 13.5212 13.5212 13.5212 13.5212 k = 0.5000 0.5000 0.1386 ( 3500 PWs) bands (ev): 1.2249 1.2249 1.2249 1.2249 4.6937 4.6937 4.6937 4.6937 6.1941 6.1941 6.1941 6.1941 6.4144 6.4144 6.4144 6.4144 7.1930 7.1930 7.1930 7.1930 7.2148 7.2148 7.2148 7.2148 7.3328 7.3328 7.3328 7.3328 7.4422 7.4422 7.4422 7.4422 7.8953 7.8953 7.8953 7.8953 8.1438 8.1438 8.1438 8.1438 8.2259 8.2259 8.2259 8.2259 8.3443 8.3443 8.3443 8.3443 8.4201 8.4201 8.4201 8.4201 8.8131 8.8131 8.8131 8.8131 11.5486 11.5486 11.5486 11.5486 13.6227 13.6227 13.6227 13.6227 k = 0.5000 0.5000 0.1512 ( 3480 PWs) bands (ev): 1.2293 1.2293 1.2293 1.2293 4.7167 4.7167 4.7167 4.7167 6.1836 6.1836 6.1836 6.1836 6.3760 6.3760 6.3760 6.3760 7.1663 7.1663 7.1663 7.1663 7.1827 7.1827 7.1827 7.1827 7.3324 7.3324 7.3324 7.3324 7.4390 7.4390 7.4390 7.4390 7.9124 7.9124 7.9124 7.9124 8.1503 8.1503 8.1503 8.1503 8.2141 8.2141 8.2141 8.2141 8.3387 8.3387 8.3387 8.3387 8.4183 8.4183 8.4183 8.4183 8.8279 8.8279 8.8279 8.8279 11.6959 11.6959 11.6959 11.6959 13.7321 13.7321 13.7321 13.7321 k = 0.5000 0.5000 0.1638 ( 3484 PWs) bands (ev): 1.2337 1.2337 1.2337 1.2337 4.7411 4.7411 4.7411 4.7411 6.1714 6.1714 6.1714 6.1714 6.3365 6.3365 6.3365 6.3365 7.1257 7.1257 7.1257 7.1257 7.1667 7.1667 7.1667 7.1667 7.3328 7.3328 7.3328 7.3328 7.4366 7.4366 7.4366 7.4366 7.9284 7.9284 7.9284 7.9284 8.1548 8.1548 8.1548 8.1548 8.2039 8.2039 8.2039 8.2039 8.3336 8.3336 8.3336 8.3336 8.4166 8.4166 8.4166 8.4166 8.8415 8.8415 8.8415 8.8415 11.8507 11.8507 11.8507 11.8507 13.8491 13.8491 13.8491 13.8491 k = 0.5000 0.5000 0.1764 ( 3484 PWs) bands (ev): 1.2382 1.2382 1.2382 1.2382 4.7668 4.7668 4.7668 4.7668 6.1568 6.1568 6.1568 6.1568 6.2971 6.2971 6.2971 6.2971 7.0857 7.0857 7.0857 7.0857 7.1535 7.1535 7.1535 7.1535 7.3337 7.3337 7.3337 7.3337 7.4347 7.4347 7.4347 7.4347 7.9433 7.9433 7.9433 7.9433 8.1558 8.1558 8.1558 8.1558 8.1970 8.1970 8.1970 8.1970 8.3289 8.3289 8.3289 8.3289 8.4152 8.4152 8.4152 8.4152 8.8539 8.8539 8.8539 8.8539 12.0121 12.0121 12.0121 12.0121 13.9732 13.9732 13.9732 13.9732 k = 0.5000 0.5000 0.1891 ( 3484 PWs) bands (ev): 1.2426 1.2426 1.2426 1.2426 4.7936 4.7936 4.7936 4.7936 6.1389 6.1389 6.1389 6.1389 6.2596 6.2596 6.2596 6.2596 7.0481 7.0481 7.0481 7.0481 7.1419 7.1419 7.1419 7.1419 7.3350 7.3350 7.3350 7.3350 7.4331 7.4331 7.4331 7.4331 7.9570 7.9570 7.9570 7.9570 8.1520 8.1520 8.1520 8.1520 8.1950 8.1950 8.1950 8.1950 8.3244 8.3244 8.3244 8.3244 8.4139 8.4139 8.4139 8.4139 8.8653 8.8653 8.8653 8.8653 12.1797 12.1797 12.1797 12.1797 14.1040 14.1040 14.1040 14.1040 k = 0.5000 0.5000 0.2017 ( 3476 PWs) bands (ev): 1.2469 1.2469 1.2469 1.2469 4.8211 4.8211 4.8211 4.8211 6.1163 6.1163 6.1163 6.1163 6.2261 6.2261 6.2261 6.2261 7.0134 7.0134 7.0134 7.0134 7.1317 7.1317 7.1317 7.1317 7.3365 7.3365 7.3365 7.3365 7.4319 7.4319 7.4319 7.4319 7.9697 7.9697 7.9697 7.9697 8.1445 8.1445 8.1445 8.1445 8.1970 8.1970 8.1970 8.1970 8.3203 8.3203 8.3203 8.3203 8.4128 8.4128 8.4128 8.4128 8.8755 8.8755 8.8755 8.8755 12.3528 12.3528 12.3528 12.3528 14.2410 14.2410 14.2410 14.2410 k = 0.5000 0.5000 0.2143 ( 3476 PWs) bands (ev): 1.2511 1.2511 1.2511 1.2511 4.8491 4.8491 4.8491 4.8491 6.0883 6.0883 6.0883 6.0883 6.1982 6.1982 6.1982 6.1982 6.9819 6.9819 6.9819 6.9819 7.1229 7.1229 7.1229 7.1229 7.3381 7.3381 7.3381 7.3381 7.4308 7.4308 7.4308 7.4308 7.9814 7.9814 7.9814 7.9814 8.1354 8.1354 8.1354 8.1354 8.2009 8.2009 8.2009 8.2009 8.3163 8.3163 8.3163 8.3163 8.4118 8.4118 8.4118 8.4118 8.8847 8.8847 8.8847 8.8847 12.5308 12.5308 12.5308 12.5308 14.3837 14.3837 14.3837 14.3837 k = 0.5000 0.5000 0.2269 ( 3476 PWs) bands (ev): 1.2550 1.2550 1.2550 1.2550 4.8772 4.8772 4.8772 4.8772 6.0555 6.0555 6.0555 6.0555 6.1762 6.1762 6.1762 6.1762 6.9537 6.9537 6.9537 6.9537 7.1152 7.1152 7.1152 7.1152 7.3397 7.3397 7.3397 7.3397 7.4300 7.4300 7.4300 7.4300 7.9921 7.9921 7.9921 7.9921 8.1259 8.1259 8.1259 8.1259 8.2055 8.2055 8.2055 8.2055 8.3124 8.3124 8.3124 8.3124 8.4110 8.4110 8.4110 8.4110 8.8929 8.8929 8.8929 8.8929 12.7132 12.7132 12.7132 12.7132 14.5315 14.5315 14.5315 14.5315 k = 0.5000 0.5000 0.2395 ( 3468 PWs) bands (ev): 1.2586 1.2586 1.2586 1.2586 4.9047 4.9047 4.9047 4.9047 6.0203 6.0203 6.0203 6.0203 6.1589 6.1589 6.1589 6.1589 6.9291 6.9291 6.9291 6.9291 7.1087 7.1087 7.1087 7.1087 7.3413 7.3413 7.3413 7.3413 7.4292 7.4292 7.4292 7.4292 8.0020 8.0020 8.0020 8.0020 8.1165 8.1165 8.1165 8.1165 8.2104 8.2104 8.2104 8.2104 8.3087 8.3087 8.3087 8.3087 8.4102 8.4102 8.4102 8.4102 8.9000 8.9000 8.9000 8.9000 12.8993 12.8993 12.8993 12.8993 14.6837 14.6837 14.6837 14.6837 k = 0.5000 0.5000 0.2521 ( 3468 PWs) bands (ev): 1.2618 1.2618 1.2618 1.2618 4.9313 4.9313 4.9313 4.9313 5.9849 5.9849 5.9849 5.9849 6.1450 6.1450 6.1450 6.1450 6.9078 6.9078 6.9078 6.9078 7.1031 7.1031 7.1031 7.1031 7.3429 7.3429 7.3429 7.3429 7.4287 7.4287 7.4287 7.4287 8.0112 8.0112 8.0112 8.0112 8.1075 8.1075 8.1075 8.1075 8.2151 8.2151 8.2151 8.2151 8.3052 8.3052 8.3052 8.3052 8.4096 8.4096 8.4096 8.4096 8.9060 8.9060 8.9060 8.9060 13.0881 13.0881 13.0881 13.0881 14.8389 14.8389 14.8389 14.8389 k = 0.5000 0.5000 0.2647 ( 3468 PWs) bands (ev): 1.2647 1.2647 1.2647 1.2647 4.9560 4.9560 4.9560 4.9560 5.9513 5.9513 5.9513 5.9513 6.1336 6.1336 6.1336 6.1336 6.8900 6.8900 6.8900 6.8900 7.0986 7.0986 7.0986 7.0986 7.3442 7.3442 7.3442 7.3442 7.4281 7.4281 7.4281 7.4281 8.0196 8.0196 8.0196 8.0196 8.0990 8.0990 8.0990 8.0990 8.2195 8.2195 8.2195 8.2195 8.3019 8.3019 8.3019 8.3019 8.4091 8.4091 8.4091 8.4091 8.9112 8.9112 8.9112 8.9112 13.2782 13.2782 13.2782 13.2782 14.9949 14.9949 14.9949 14.9949 k = 0.5000 0.5000 0.2773 ( 3472 PWs) bands (ev): 1.2671 1.2671 1.2671 1.2671 4.9781 4.9781 4.9781 4.9781 5.9213 5.9213 5.9213 5.9213 6.1244 6.1244 6.1244 6.1244 6.8756 6.8756 6.8756 6.8756 7.0950 7.0950 7.0950 7.0950 7.3453 7.3453 7.3453 7.3453 7.4276 7.4276 7.4276 7.4276 8.0272 8.0272 8.0272 8.0272 8.0910 8.0910 8.0910 8.0910 8.2234 8.2234 8.2234 8.2234 8.2989 8.2989 8.2989 8.2989 8.4086 8.4086 8.4086 8.4086 8.9153 8.9153 8.9153 8.9153 13.4675 13.4675 13.4675 13.4675 15.1435 15.1435 15.1435 15.1435 k = 0.5000 0.5000 0.2899 ( 3472 PWs) bands (ev): 1.2690 1.2690 1.2690 1.2690 4.9967 4.9967 4.9967 4.9967 5.8961 5.8961 5.8961 5.8961 6.1172 6.1172 6.1172 6.1172 6.8644 6.8644 6.8644 6.8644 7.0922 7.0922 7.0922 7.0922 7.3462 7.3462 7.3462 7.3462 7.4273 7.4273 7.4273 7.4273 8.0343 8.0343 8.0343 8.0343 8.0837 8.0837 8.0837 8.0837 8.2267 8.2267 8.2267 8.2267 8.2964 8.2964 8.2964 8.2964 8.4083 8.4083 8.4083 8.4083 8.9185 8.9185 8.9185 8.9185 13.6514 13.6514 13.6514 13.6514 15.1866 15.1866 15.1866 15.1866 k = 0.5000 0.5000 0.3025 ( 3472 PWs) bands (ev): 1.2703 1.2703 1.2703 1.2703 5.0109 5.0109 5.0109 5.0109 5.8771 5.8771 5.8771 5.8771 6.1121 6.1121 6.1121 6.1121 6.8565 6.8565 6.8565 6.8565 7.0903 7.0903 7.0903 7.0903 7.3468 7.3468 7.3468 7.3468 7.4270 7.4270 7.4270 7.4270 8.0405 8.0405 8.0405 8.0405 8.0773 8.0773 8.0773 8.0773 8.2293 8.2293 8.2293 8.2293 8.2944 8.2944 8.2944 8.2944 8.4081 8.4081 8.4081 8.4081 8.9208 8.9208 8.9208 8.9208 13.8208 13.8208 13.8208 13.8208 15.0297 15.0297 15.0297 15.0297 k = 0.5000 0.5000 0.3151 ( 3472 PWs) bands (ev): 1.2712 1.2712 1.2712 1.2712 5.0198 5.0198 5.0198 5.0198 5.8653 5.8653 5.8653 5.8653 6.1090 6.1090 6.1090 6.1090 6.8518 6.8518 6.8518 6.8518 7.0891 7.0891 7.0891 7.0891 7.3472 7.3472 7.3472 7.3472 7.4269 7.4269 7.4269 7.4269 8.0454 8.0454 8.0454 8.0454 8.0723 8.0723 8.0723 8.0723 8.2309 8.2309 8.2309 8.2309 8.2932 8.2932 8.2932 8.2932 8.4079 8.4079 8.4079 8.4079 8.9221 8.9221 8.9221 8.9221 13.9540 13.9540 13.9540 13.9540 14.8908 14.8908 14.8908 14.8908 k = 0.5000 0.5000 0.3277 ( 3448 PWs) bands (ev): 1.2715 1.2715 1.2715 1.2715 5.0228 5.0228 5.0228 5.0228 5.8613 5.8613 5.8613 5.8613 6.1079 6.1079 6.1079 6.1079 6.8505 6.8505 6.8505 6.8505 7.0887 7.0887 7.0887 7.0887 7.3475 7.3475 7.3475 7.3475 7.4269 7.4269 7.4269 7.4269 8.0476 8.0476 8.0476 8.0476 8.0703 8.0703 8.0703 8.0703 8.2315 8.2315 8.2315 8.2315 8.2928 8.2928 8.2928 8.2928 8.4079 8.4079 8.4079 8.4079 8.9226 8.9226 8.9226 8.9226 14.0085 14.0085 14.0085 14.0085 14.8338 14.8338 14.8338 14.8338 Writing output data file Cu2Sb.save init_run : 0.20s CPU 0.43s WALL ( 1 calls) electrons : 171.72s CPU 174.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 171.71s CPU 174.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 359 calls) cegterg : 154.64s CPU 156.69s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 82.94s CPU 84.60s WALL ( 6933 calls) s_psi : 9.10s CPU 9.01s WALL ( 6933 calls) g_psi : 0.24s CPU 0.24s WALL ( 6149 calls) cdiaghg : 58.86s CPU 59.59s WALL ( 6508 calls) cegterg:over : 6.88s CPU 6.93s WALL ( 6149 calls) cegterg:upda : 5.04s CPU 5.12s WALL ( 6149 calls) cegterg:last : 3.06s CPU 3.06s WALL ( 1143 calls) cdiaghg:chol : 3.36s CPU 3.38s WALL ( 6508 calls) cdiaghg:inve : 2.36s CPU 2.33s WALL ( 6508 calls) cdiaghg:para : 3.85s CPU 3.86s WALL ( 13016 calls) Called by h_psi: h_psi:vloc : 64.15s CPU 65.49s WALL ( 6933 calls) h_psi:vnl : 18.60s CPU 18.86s WALL ( 6933 calls) add_vuspsi : 10.80s CPU 10.83s WALL ( 6933 calls) General routines calbec : 7.78s CPU 8.01s WALL ( 6933 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 60.53s CPU 61.76s WALL ( 949728 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.25s WALL ( 718 calls) Parallel routines fft_scatter : 25.07s CPU 25.66s WALL ( 949751 calls) PWSCF : 3m10.98s CPU 3m28.47s WALL This run was terminated on: 17:43:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=