Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:48 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: ./TlPPt5.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 53 22 6 3153 834 136 Max 54 23 7 3158 863 145 Sum 1917 793 241 113565 30433 5039 bravais-lattice index = 14 lattice parameter (alat) = 7.4682 a.u. unit-cell volume = 746.1090 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.468197 celldm(2)= 1.000000 celldm(3)= 1.791245 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 1.791245 ) 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 0.558271 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Tl 13.00 204.38330 Tl( 1.00) Pt 10.00 195.08400 Pt( 1.00) P 5.00 30.97380 P( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028409 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028409 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028409 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028409 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028409 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028409 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028409 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028409 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028409 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0028409 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028409 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028409 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028409 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028409 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028409 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028409 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028409 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028409 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028409 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0028409 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0028409 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0028409 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0028409 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0028409 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0028409 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0028409 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0028409 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0028409 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0028409 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0028409 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0028409 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0028409 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0028409 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0028409 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028409 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0028409 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0028409 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0028409 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0028409 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0028409 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0028409 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0028409 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0028409 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0028409 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0028409 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0028409 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0028409 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0028409 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0028409 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0028409 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0028409 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0028409 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028409 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0028409 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0028409 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0028409 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0028409 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0028409 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0028409 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0028409 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0028409 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0028409 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0028409 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0028409 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0028409 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0028409 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0028409 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0028409 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.0121363), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.0242726), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.0364090), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.0485453), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.0606816), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.0728179), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.0849543), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.0970906), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.1092269), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.1213632), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.1334996), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.1456359), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.1577722), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.1699085), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.1820449), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.1941812), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.2063175), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.2184538), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.2305902), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.2427265), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.2548628), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.2669991), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.2791355), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.2791355), wk = 0.0028409 k( 166) = ( 0.0000000 0.0125000 0.2791355), wk = 0.0028409 k( 167) = ( 0.0000000 0.0250000 0.2791355), wk = 0.0028409 k( 168) = ( 0.0000000 0.0375000 0.2791355), wk = 0.0028409 k( 169) = ( 0.0000000 0.0500000 0.2791355), wk = 0.0028409 k( 170) = ( 0.0000000 0.0625000 0.2791355), wk = 0.0028409 k( 171) = ( 0.0000000 0.0750000 0.2791355), wk = 0.0028409 k( 172) = ( 0.0000000 0.0875000 0.2791355), wk = 0.0028409 k( 173) = ( 0.0000000 0.1000000 0.2791355), wk = 0.0028409 k( 174) = ( 0.0000000 0.1125000 0.2791355), wk = 0.0028409 k( 175) = ( 0.0000000 0.1250000 0.2791355), wk = 0.0028409 k( 176) = ( 0.0000000 0.1375000 0.2791355), wk = 0.0028409 k( 177) = ( 0.0000000 0.1500000 0.2791355), wk = 0.0028409 k( 178) = ( 0.0000000 0.1625000 0.2791355), wk = 0.0028409 k( 179) = ( 0.0000000 0.1750000 0.2791355), wk = 0.0028409 k( 180) = ( 0.0000000 0.1875000 0.2791355), wk = 0.0028409 k( 181) = ( 0.0000000 0.2000000 0.2791355), wk = 0.0028409 k( 182) = ( 0.0000000 0.2125000 0.2791355), wk = 0.0028409 k( 183) = ( 0.0000000 0.2250000 0.2791355), wk = 0.0028409 k( 184) = ( 0.0000000 0.2375000 0.2791355), wk = 0.0028409 k( 185) = ( 0.0000000 0.2500000 0.2791355), wk = 0.0028409 k( 186) = ( 0.0000000 0.2625000 0.2791355), wk = 0.0028409 k( 187) = ( 0.0000000 0.2750000 0.2791355), wk = 0.0028409 k( 188) = ( 0.0000000 0.2875000 0.2791355), wk = 0.0028409 k( 189) = ( 0.0000000 0.3000000 0.2791355), wk = 0.0028409 k( 190) = ( 0.0000000 0.3125000 0.2791355), wk = 0.0028409 k( 191) = ( 0.0000000 0.3250000 0.2791355), wk = 0.0028409 k( 192) = ( 0.0000000 0.3375000 0.2791355), wk = 0.0028409 k( 193) = ( 0.0000000 0.3500000 0.2791355), wk = 0.0028409 k( 194) = ( 0.0000000 0.3625000 0.2791355), wk = 0.0028409 k( 195) = ( 0.0000000 0.3750000 0.2791355), wk = 0.0028409 k( 196) = ( 0.0000000 0.3875000 0.2791355), wk = 0.0028409 k( 197) = ( 0.0000000 0.4000000 0.2791355), wk = 0.0028409 k( 198) = ( 0.0000000 0.4125000 0.2791355), wk = 0.0028409 k( 199) = ( 0.0000000 0.4250000 0.2791355), wk = 0.0028409 k( 200) = ( 0.0000000 0.4375000 0.2791355), wk = 0.0028409 k( 201) = ( 0.0000000 0.4500000 0.2791355), wk = 0.0028409 k( 202) = ( 0.0000000 0.4625000 0.2791355), wk = 0.0028409 k( 203) = ( 0.0000000 0.4750000 0.2791355), wk = 0.0028409 k( 204) = ( 0.0000000 0.4875000 0.2791355), wk = 0.0028409 k( 205) = ( 0.0000000 0.5000000 0.2791355), wk = 0.0028409 k( 206) = ( 0.0000000 0.5000000 0.2791355), wk = 0.0028409 k( 207) = ( 0.0125000 0.5000000 0.2791355), wk = 0.0028409 k( 208) = ( 0.0250000 0.5000000 0.2791355), wk = 0.0028409 k( 209) = ( 0.0375000 0.5000000 0.2791355), wk = 0.0028409 k( 210) = ( 0.0500000 0.5000000 0.2791355), wk = 0.0028409 k( 211) = ( 0.0625000 0.5000000 0.2791355), wk = 0.0028409 k( 212) = ( 0.0750000 0.5000000 0.2791355), wk = 0.0028409 k( 213) = ( 0.0875000 0.5000000 0.2791355), wk = 0.0028409 k( 214) = ( 0.1000000 0.5000000 0.2791355), wk = 0.0028409 k( 215) = ( 0.1125000 0.5000000 0.2791355), wk = 0.0028409 k( 216) = ( 0.1250000 0.5000000 0.2791355), wk = 0.0028409 k( 217) = ( 0.1375000 0.5000000 0.2791355), wk = 0.0028409 k( 218) = ( 0.1500000 0.5000000 0.2791355), wk = 0.0028409 k( 219) = ( 0.1625000 0.5000000 0.2791355), wk = 0.0028409 k( 220) = ( 0.1750000 0.5000000 0.2791355), wk = 0.0028409 k( 221) = ( 0.1875000 0.5000000 0.2791355), wk = 0.0028409 k( 222) = ( 0.2000000 0.5000000 0.2791355), wk = 0.0028409 k( 223) = ( 0.2125000 0.5000000 0.2791355), wk = 0.0028409 k( 224) = ( 0.2250000 0.5000000 0.2791355), wk = 0.0028409 k( 225) = ( 0.2375000 0.5000000 0.2791355), wk = 0.0028409 k( 226) = ( 0.2500000 0.5000000 0.2791355), wk = 0.0028409 k( 227) = ( 0.2625000 0.5000000 0.2791355), wk = 0.0028409 k( 228) = ( 0.2750000 0.5000000 0.2791355), wk = 0.0028409 k( 229) = ( 0.2875000 0.5000000 0.2791355), wk = 0.0028409 k( 230) = ( 0.3000000 0.5000000 0.2791355), wk = 0.0028409 k( 231) = ( 0.3125000 0.5000000 0.2791355), wk = 0.0028409 k( 232) = ( 0.3250000 0.5000000 0.2791355), wk = 0.0028409 k( 233) = ( 0.3375000 0.5000000 0.2791355), wk = 0.0028409 k( 234) = ( 0.3500000 0.5000000 0.2791355), wk = 0.0028409 k( 235) = ( 0.3625000 0.5000000 0.2791355), wk = 0.0028409 k( 236) = ( 0.3750000 0.5000000 0.2791355), wk = 0.0028409 k( 237) = ( 0.3875000 0.5000000 0.2791355), wk = 0.0028409 k( 238) = ( 0.4000000 0.5000000 0.2791355), wk = 0.0028409 k( 239) = ( 0.4125000 0.5000000 0.2791355), wk = 0.0028409 k( 240) = ( 0.4250000 0.5000000 0.2791355), wk = 0.0028409 k( 241) = ( 0.4375000 0.5000000 0.2791355), wk = 0.0028409 k( 242) = ( 0.4500000 0.5000000 0.2791355), wk = 0.0028409 k( 243) = ( 0.4625000 0.5000000 0.2791355), wk = 0.0028409 k( 244) = ( 0.4750000 0.5000000 0.2791355), wk = 0.0028409 k( 245) = ( 0.4875000 0.5000000 0.2791355), wk = 0.0028409 k( 246) = ( 0.5000000 0.5000000 0.2791355), wk = 0.0028409 k( 247) = ( 0.5000000 0.5000000 0.2791355), wk = 0.0028409 k( 248) = ( 0.4912281 0.4912281 0.2791355), wk = 0.0028409 k( 249) = ( 0.4824561 0.4824561 0.2791355), wk = 0.0028409 k( 250) = ( 0.4736842 0.4736842 0.2791355), wk = 0.0028409 k( 251) = ( 0.4649123 0.4649123 0.2791355), wk = 0.0028409 k( 252) = ( 0.4561404 0.4561403 0.2791355), wk = 0.0028409 k( 253) = ( 0.4473684 0.4473684 0.2791355), wk = 0.0028409 k( 254) = ( 0.4385965 0.4385965 0.2791355), wk = 0.0028409 k( 255) = ( 0.4298246 0.4298246 0.2791355), wk = 0.0028409 k( 256) = ( 0.4210526 0.4210526 0.2791355), wk = 0.0028409 k( 257) = ( 0.4122807 0.4122807 0.2791355), wk = 0.0028409 k( 258) = ( 0.4035088 0.4035088 0.2791355), wk = 0.0028409 k( 259) = ( 0.3947368 0.3947368 0.2791355), wk = 0.0028409 k( 260) = ( 0.3859649 0.3859649 0.2791355), wk = 0.0028409 k( 261) = ( 0.3771930 0.3771930 0.2791355), wk = 0.0028409 k( 262) = ( 0.3684211 0.3684210 0.2791355), wk = 0.0028409 k( 263) = ( 0.3596491 0.3596491 0.2791355), wk = 0.0028409 k( 264) = ( 0.3508772 0.3508772 0.2791355), wk = 0.0028409 k( 265) = ( 0.3421053 0.3421053 0.2791355), wk = 0.0028409 k( 266) = ( 0.3333333 0.3333333 0.2791355), wk = 0.0028409 k( 267) = ( 0.3245614 0.3245614 0.2791355), wk = 0.0028409 k( 268) = ( 0.3157895 0.3157895 0.2791355), wk = 0.0028409 k( 269) = ( 0.3070175 0.3070175 0.2791355), wk = 0.0028409 k( 270) = ( 0.2982456 0.2982456 0.2791355), wk = 0.0028409 k( 271) = ( 0.2894737 0.2894737 0.2791355), wk = 0.0028409 k( 272) = ( 0.2807018 0.2807017 0.2791355), wk = 0.0028409 k( 273) = ( 0.2719298 0.2719298 0.2791355), wk = 0.0028409 k( 274) = ( 0.2631579 0.2631579 0.2791355), wk = 0.0028409 k( 275) = ( 0.2543860 0.2543860 0.2791355), wk = 0.0028409 k( 276) = ( 0.2456140 0.2456140 0.2791355), wk = 0.0028409 k( 277) = ( 0.2368421 0.2368421 0.2791355), wk = 0.0028409 k( 278) = ( 0.2280702 0.2280702 0.2791355), wk = 0.0028409 k( 279) = ( 0.2192983 0.2192982 0.2791355), wk = 0.0028409 k( 280) = ( 0.2105263 0.2105263 0.2791355), wk = 0.0028409 k( 281) = ( 0.2017544 0.2017544 0.2791355), wk = 0.0028409 k( 282) = ( 0.1929825 0.1929825 0.2791355), wk = 0.0028409 k( 283) = ( 0.1842105 0.1842105 0.2791355), wk = 0.0028409 k( 284) = ( 0.1754386 0.1754386 0.2791355), wk = 0.0028409 k( 285) = ( 0.1666667 0.1666667 0.2791355), wk = 0.0028409 k( 286) = ( 0.1578947 0.1578947 0.2791355), wk = 0.0028409 k( 287) = ( 0.1491228 0.1491228 0.2791355), wk = 0.0028409 k( 288) = ( 0.1403509 0.1403509 0.2791355), wk = 0.0028409 k( 289) = ( 0.1315790 0.1315790 0.2791355), wk = 0.0028409 k( 290) = ( 0.1228070 0.1228070 0.2791355), wk = 0.0028409 k( 291) = ( 0.1140351 0.1140351 0.2791355), wk = 0.0028409 k( 292) = ( 0.1052632 0.1052632 0.2791355), wk = 0.0028409 k( 293) = ( 0.0964912 0.0964912 0.2791355), wk = 0.0028409 k( 294) = ( 0.0877193 0.0877193 0.2791355), wk = 0.0028409 k( 295) = ( 0.0789474 0.0789474 0.2791355), wk = 0.0028409 k( 296) = ( 0.0701754 0.0701754 0.2791355), wk = 0.0028409 k( 297) = ( 0.0614035 0.0614035 0.2791355), wk = 0.0028409 k( 298) = ( 0.0526316 0.0526316 0.2791355), wk = 0.0028409 k( 299) = ( 0.0438597 0.0438596 0.2791355), wk = 0.0028409 k( 300) = ( 0.0350877 0.0350877 0.2791355), wk = 0.0028409 k( 301) = ( 0.0263158 0.0263158 0.2791355), wk = 0.0028409 k( 302) = ( 0.0175439 0.0175439 0.2791355), wk = 0.0028409 k( 303) = ( 0.0087719 0.0087719 0.2791355), wk = 0.0028409 k( 304) = ( 0.0000000 0.0000000 0.2791355), wk = 0.0028409 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 306) = ( 0.0000000 0.5000000 0.0121363), wk = 0.0028409 k( 307) = ( 0.0000000 0.5000000 0.0242726), wk = 0.0028409 k( 308) = ( 0.0000000 0.5000000 0.0364090), wk = 0.0028409 k( 309) = ( 0.0000000 0.5000000 0.0485453), wk = 0.0028409 k( 310) = ( 0.0000000 0.5000000 0.0606816), wk = 0.0028409 k( 311) = ( 0.0000000 0.5000000 0.0728179), wk = 0.0028409 k( 312) = ( 0.0000000 0.5000000 0.0849543), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 0.0970906), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.1092269), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.1213632), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.1334996), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.1456359), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.1577722), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.1699085), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.1820449), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.1941812), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.2063175), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.2184538), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.2305902), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.2427265), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.2548628), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.2669991), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.2791355), wk = 0.0028409 k( 329) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 330) = ( 0.5000000 0.5000000 0.0121363), wk = 0.0028409 k( 331) = ( 0.5000000 0.5000000 0.0242726), wk = 0.0028409 k( 332) = ( 0.5000000 0.5000000 0.0364090), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.0485453), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0606816), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0728179), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.0849543), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.0970906), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.1092269), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.1213632), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.1334996), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.1456359), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.1577722), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.1699085), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.1820449), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.1941812), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.2063175), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.2184538), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.2305902), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.2427265), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.2548628), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.2669991), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.2791355), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0028409 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0028409 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028409 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0028409 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028409 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0028409 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0028409 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0028409 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028409 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028409 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0028409 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028409 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0028409 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0028409 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0028409 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028409 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028409 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0028409 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0028409 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0028409 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028409 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0028409 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0028409 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028409 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0028409 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028409 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0028409 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0028409 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0028409 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0028409 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0028409 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0028409 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0028409 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0028409 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0028409 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0028409 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0028409 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0028409 k( 98) = ( 0.3684211 0.3684211 -0.0000000), wk = 0.0028409 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0028409 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0028409 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028409 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0028409 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0028409 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0028409 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0028409 k( 108) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0028409 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0028409 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0028409 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0028409 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0028409 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0028409 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0028409 k( 115) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0028409 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0028409 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0028409 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0028409 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0028409 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0028409 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028409 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0028409 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0028409 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0028409 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0028409 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0028409 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0028409 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0028409 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0028409 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0028409 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0028409 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0028409 k( 135) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0028409 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0028409 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0028409 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0028409 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 166) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0028409 k( 167) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0028409 k( 168) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0028409 k( 169) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028409 k( 170) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028409 k( 171) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0028409 k( 172) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0028409 k( 173) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028409 k( 174) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0028409 k( 175) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028409 k( 176) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0028409 k( 177) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028409 k( 178) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0028409 k( 179) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0028409 k( 180) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028409 k( 181) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028409 k( 182) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0028409 k( 183) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0028409 k( 184) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0028409 k( 185) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028409 k( 186) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0028409 k( 187) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0028409 k( 188) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0028409 k( 189) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028409 k( 190) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028409 k( 191) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0028409 k( 192) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0028409 k( 193) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028409 k( 194) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0028409 k( 195) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028409 k( 196) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0028409 k( 197) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028409 k( 198) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0028409 k( 199) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0028409 k( 200) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028409 k( 201) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028409 k( 202) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0028409 k( 203) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0028409 k( 204) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0028409 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 207) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0028409 k( 208) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0028409 k( 209) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0028409 k( 210) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028409 k( 211) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0028409 k( 212) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0028409 k( 213) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0028409 k( 214) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028409 k( 215) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0028409 k( 216) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028409 k( 217) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0028409 k( 218) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028409 k( 219) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0028409 k( 220) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0028409 k( 221) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0028409 k( 222) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028409 k( 223) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0028409 k( 224) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0028409 k( 225) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0028409 k( 226) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028409 k( 227) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0028409 k( 228) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0028409 k( 229) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0028409 k( 230) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028409 k( 231) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0028409 k( 232) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0028409 k( 233) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0028409 k( 234) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028409 k( 235) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0028409 k( 236) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028409 k( 237) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0028409 k( 238) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028409 k( 239) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0028409 k( 240) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0028409 k( 241) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0028409 k( 242) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028409 k( 243) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0028409 k( 244) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0028409 k( 245) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0028409 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 248) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0028409 k( 249) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0028409 k( 250) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0028409 k( 251) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0028409 k( 252) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0028409 k( 253) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0028409 k( 254) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0028409 k( 255) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0028409 k( 256) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0028409 k( 257) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0028409 k( 258) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0028409 k( 259) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0028409 k( 260) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0028409 k( 261) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0028409 k( 262) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0028409 k( 263) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0028409 k( 264) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0028409 k( 265) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0028409 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028409 k( 267) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0028409 k( 268) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0028409 k( 269) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0028409 k( 270) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0028409 k( 271) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0028409 k( 272) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0028409 k( 273) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0028409 k( 274) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0028409 k( 275) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0028409 k( 276) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0028409 k( 277) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0028409 k( 278) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0028409 k( 279) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0028409 k( 280) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0028409 k( 281) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0028409 k( 282) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0028409 k( 283) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0028409 k( 284) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0028409 k( 285) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028409 k( 286) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0028409 k( 287) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0028409 k( 288) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0028409 k( 289) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0028409 k( 290) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0028409 k( 291) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0028409 k( 292) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0028409 k( 293) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0028409 k( 294) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0028409 k( 295) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0028409 k( 296) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0028409 k( 297) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0028409 k( 298) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0028409 k( 299) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0028409 k( 300) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0028409 k( 301) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0028409 k( 302) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0028409 k( 303) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0028409 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 306) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0028409 k( 307) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0028409 k( 308) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0028409 k( 309) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0028409 k( 310) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0028409 k( 311) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0028409 k( 312) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 329) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 330) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028409 k( 331) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028409 k( 332) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 113565 G-vectors FFT dimensions: ( 50, 50, 90) Smooth grid: 30433 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 220, 82) NL pseudopotentials 0.40 Mb ( 110, 238) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 3155) G-vector shells 0.01 Mb ( 1482) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 220, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.60 Mb ( 238, 2, 82) The potential is recalculated from file : ./TlPPt5.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 14.7 secs Computing kpt #: 11 total cpu time spent up to now is 15.9 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.2 secs Computing kpt #: 14 total cpu time spent up to now is 19.3 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.5 secs Computing kpt #: 17 total cpu time spent up to now is 22.6 secs Computing kpt #: 18 total cpu time spent up to now is 23.7 secs Computing kpt #: 19 total cpu time spent up to now is 24.8 secs Computing kpt #: 20 total cpu time spent up to now is 25.8 secs Computing kpt #: 21 total cpu time spent up to now is 26.9 secs Computing kpt #: 22 total cpu time spent up to now is 27.9 secs Computing kpt #: 23 total cpu time spent up to now is 29.0 secs Computing kpt #: 24 total cpu time spent up to now is 30.1 secs Computing kpt #: 25 total cpu time spent up to now is 31.1 secs Computing kpt #: 26 total cpu time spent up to now is 32.2 secs Computing kpt #: 27 total cpu time spent up to now is 33.2 secs Computing kpt #: 28 total cpu time spent up to now is 34.3 secs Computing kpt #: 29 total cpu time spent up to now is 35.3 secs Computing kpt #: 30 total cpu time spent up to now is 36.4 secs Computing kpt #: 31 total cpu time spent up to now is 37.4 secs Computing kpt #: 32 total cpu time spent up to now is 38.5 secs Computing kpt #: 33 total cpu time spent up to now is 39.5 secs Computing kpt #: 34 total cpu time spent up to now is 40.6 secs Computing kpt #: 35 total cpu time spent up to now is 41.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.7 secs Computing kpt #: 37 total cpu time spent up to now is 43.8 secs Computing kpt #: 38 total cpu time spent up to now is 44.8 secs Computing kpt #: 39 total cpu time spent up to now is 45.8 secs Computing kpt #: 40 total cpu time spent up to now is 46.9 secs Computing kpt #: 41 total cpu time spent up to now is 47.9 secs Computing kpt #: 42 total cpu time spent up to now is 49.0 secs Computing kpt #: 43 total cpu time spent up to now is 50.1 secs Computing kpt #: 44 total cpu time spent up to now is 51.1 secs Computing kpt #: 45 total cpu time spent up to now is 52.2 secs Computing kpt #: 46 total cpu time spent up to now is 53.2 secs Computing kpt #: 47 total cpu time spent up to now is 54.2 secs Computing kpt #: 48 total cpu time spent up to now is 55.3 secs Computing kpt #: 49 total cpu time spent up to now is 56.3 secs Computing kpt #: 50 total cpu time spent up to now is 57.3 secs Computing kpt #: 51 total cpu time spent up to now is 58.4 secs Computing kpt #: 52 total cpu time spent up to now is 59.4 secs Computing kpt #: 53 total cpu time spent up to now is 60.3 secs Computing kpt #: 54 total cpu time spent up to now is 61.4 secs Computing kpt #: 55 total cpu time spent up to now is 62.5 secs Computing kpt #: 56 total cpu time spent up to now is 63.6 secs Computing kpt #: 57 total cpu time spent up to now is 64.7 secs Computing kpt #: 58 total cpu time spent up to now is 65.8 secs Computing kpt #: 59 total cpu time spent up to now is 66.9 secs Computing kpt #: 60 total cpu time spent up to now is 67.9 secs Computing kpt #: 61 total cpu time spent up to now is 69.0 secs Computing kpt #: 62 total cpu time spent up to now is 70.0 secs Computing kpt #: 63 total cpu time spent up to now is 71.0 secs Computing kpt #: 64 total cpu time spent up to now is 71.9 secs Computing kpt #: 65 total cpu time spent up to now is 72.9 secs Computing kpt #: 66 total cpu time spent up to now is 73.9 secs Computing kpt #: 67 total cpu time spent up to now is 74.8 secs Computing kpt #: 68 total cpu time spent up to now is 75.8 secs Computing kpt #: 69 total cpu time spent up to now is 76.8 secs Computing kpt #: 70 total cpu time spent up to now is 77.9 secs Computing kpt #: 71 total cpu time spent up to now is 78.9 secs Computing kpt #: 72 total cpu time spent up to now is 80.0 secs Computing kpt #: 73 total cpu time spent up to now is 81.0 secs Computing kpt #: 74 total cpu time spent up to now is 82.1 secs Computing kpt #: 75 total cpu time spent up to now is 83.2 secs Computing kpt #: 76 total cpu time spent up to now is 84.3 secs Computing kpt #: 77 total cpu time spent up to now is 85.4 secs Computing kpt #: 78 total cpu time spent up to now is 86.5 secs Computing kpt #: 79 total cpu time spent up to now is 87.6 secs Computing kpt #: 80 total cpu time spent up to now is 88.7 secs Computing kpt #: 81 total cpu time spent up to now is 89.8 secs Computing kpt #: 82 total cpu time spent up to now is 90.9 secs Computing kpt #: 83 total cpu time spent up to now is 92.1 secs Computing kpt #: 84 total cpu time spent up to now is 93.2 secs Computing kpt #: 85 total cpu time spent up to now is 94.3 secs Computing kpt #: 86 total cpu time spent up to now is 95.4 secs Computing kpt #: 87 total cpu time spent up to now is 96.5 secs Computing kpt #: 88 total cpu time spent up to now is 97.6 secs Computing kpt #: 89 total cpu time spent up to now is 98.7 secs Computing kpt #: 90 total cpu time spent up to now is 99.7 secs Computing kpt #: 91 total cpu time spent up to now is 100.8 secs Computing kpt #: 92 total cpu time spent up to now is 101.8 secs Computing kpt #: 93 total cpu time spent up to now is 102.8 secs Computing kpt #: 94 total cpu time spent up to now is 103.9 secs Computing kpt #: 95 total cpu time spent up to now is 104.9 secs Computing kpt #: 96 total cpu time spent up to now is 105.9 secs Computing kpt #: 97 total cpu time spent up to now is 106.9 secs Computing kpt #: 98 total cpu time spent up to now is 108.0 secs Computing kpt #: 99 total cpu time spent up to now is 109.0 secs Computing kpt #: 100 total cpu time spent up to now is 110.0 secs Computing kpt #: 101 total cpu time spent up to now is 111.0 secs Computing kpt #: 102 total cpu time spent up to now is 112.1 secs Computing kpt #: 103 total cpu time spent up to now is 113.1 secs Computing kpt #: 104 total cpu time spent up to now is 114.2 secs Computing kpt #: 105 total cpu time spent up to now is 115.2 secs Computing kpt #: 106 total cpu time spent up to now is 116.4 secs Computing kpt #: 107 total cpu time spent up to now is 117.6 secs Computing kpt #: 108 total cpu time spent up to now is 118.9 secs Computing kpt #: 109 total cpu time spent up to now is 120.0 secs Computing kpt #: 110 total cpu time spent up to now is 121.2 secs Computing kpt #: 111 total cpu time spent up to now is 122.3 secs Computing kpt #: 112 total cpu time spent up to now is 123.4 secs Computing kpt #: 113 total cpu time spent up to now is 124.5 secs Computing kpt #: 114 total cpu time spent up to now is 125.6 secs Computing kpt #: 115 total cpu time spent up to now is 126.7 secs Computing kpt #: 116 total cpu time spent up to now is 127.7 secs Computing kpt #: 117 total cpu time spent up to now is 128.9 secs Computing kpt #: 118 total cpu time spent up to now is 129.9 secs Computing kpt #: 119 total cpu time spent up to now is 131.0 secs Computing kpt #: 120 total cpu time spent up to now is 132.0 secs Computing kpt #: 121 total cpu time spent up to now is 133.1 secs Computing kpt #: 122 total cpu time spent up to now is 134.2 secs Computing kpt #: 123 total cpu time spent up to now is 135.3 secs Computing kpt #: 124 total cpu time spent up to now is 136.4 secs Computing kpt #: 125 total cpu time spent up to now is 137.5 secs Computing kpt #: 126 total cpu time spent up to now is 138.7 secs Computing kpt #: 127 total cpu time spent up to now is 139.8 secs Computing kpt #: 128 total cpu time spent up to now is 141.0 secs Computing kpt #: 129 total cpu time spent up to now is 142.2 secs Computing kpt #: 130 total cpu time spent up to now is 143.4 secs Computing kpt #: 131 total cpu time spent up to now is 144.6 secs Computing kpt #: 132 total cpu time spent up to now is 145.7 secs Computing kpt #: 133 total cpu time spent up to now is 146.9 secs Computing kpt #: 134 total cpu time spent up to now is 148.0 secs Computing kpt #: 135 total cpu time spent up to now is 149.2 secs Computing kpt #: 136 total cpu time spent up to now is 150.4 secs Computing kpt #: 137 total cpu time spent up to now is 151.7 secs Computing kpt #: 138 total cpu time spent up to now is 152.9 secs Computing kpt #: 139 total cpu time spent up to now is 154.1 secs Computing kpt #: 140 total cpu time spent up to now is 155.3 secs Computing kpt #: 141 total cpu time spent up to now is 156.5 secs Computing kpt #: 142 total cpu time spent up to now is 157.7 secs Computing kpt #: 143 total cpu time spent up to now is 158.9 secs Computing kpt #: 144 total cpu time spent up to now is 160.0 secs Computing kpt #: 145 total cpu time spent up to now is 161.1 secs Computing kpt #: 146 total cpu time spent up to now is 162.2 secs Computing kpt #: 147 total cpu time spent up to now is 163.3 secs Computing kpt #: 148 total cpu time spent up to now is 164.4 secs Computing kpt #: 149 total cpu time spent up to now is 165.5 secs Computing kpt #: 150 total cpu time spent up to now is 166.5 secs Computing kpt #: 151 total cpu time spent up to now is 167.5 secs Computing kpt #: 152 total cpu time spent up to now is 168.5 secs Computing kpt #: 153 total cpu time spent up to now is 169.4 secs Computing kpt #: 154 total cpu time spent up to now is 170.4 secs Computing kpt #: 155 total cpu time spent up to now is 171.3 secs Computing kpt #: 156 total cpu time spent up to now is 172.2 secs Computing kpt #: 157 total cpu time spent up to now is 173.1 secs Computing kpt #: 158 total cpu time spent up to now is 174.0 secs Computing kpt #: 159 total cpu time spent up to now is 174.9 secs Computing kpt #: 160 total cpu time spent up to now is 175.8 secs Computing kpt #: 161 total cpu time spent up to now is 176.6 secs Computing kpt #: 162 total cpu time spent up to now is 177.5 secs Computing kpt #: 163 total cpu time spent up to now is 178.4 secs Computing kpt #: 164 total cpu time spent up to now is 179.3 secs Computing kpt #: 165 total cpu time spent up to now is 180.1 secs Computing kpt #: 166 total cpu time spent up to now is 181.0 secs Computing kpt #: 167 total cpu time spent up to now is 181.9 secs Computing kpt #: 168 total cpu time spent up to now is 182.8 secs Computing kpt #: 169 total cpu time spent up to now is 183.7 secs Computing kpt #: 170 total cpu time spent up to now is 184.6 secs Computing kpt #: 171 total cpu time spent up to now is 185.5 secs Computing kpt #: 172 total cpu time spent up to now is 186.5 secs Computing kpt #: 173 total cpu time spent up to now is 187.4 secs Computing kpt #: 174 total cpu time spent up to now is 188.5 secs Computing kpt #: 175 total cpu time spent up to now is 189.5 secs Computing kpt #: 176 total cpu time spent up to now is 190.6 secs Computing kpt #: 177 total cpu time spent up to now is 191.7 secs Computing kpt #: 178 total cpu time spent up to now is 192.8 secs Computing kpt #: 179 total cpu time spent up to now is 193.9 secs Computing kpt #: 180 total cpu time spent up to now is 195.0 secs Computing kpt #: 181 total cpu time spent up to now is 196.1 secs Computing kpt #: 182 total cpu time spent up to now is 197.3 secs Computing kpt #: 183 total cpu time spent up to now is 198.5 secs Computing kpt #: 184 total cpu time spent up to now is 199.9 secs Computing kpt #: 185 total cpu time spent up to now is 201.2 secs Computing kpt #: 186 total cpu time spent up to now is 202.4 secs Computing kpt #: 187 total cpu time spent up to now is 203.5 secs Computing kpt #: 188 total cpu time spent up to now is 204.7 secs Computing kpt #: 189 total cpu time spent up to now is 205.8 secs Computing kpt #: 190 total cpu time spent up to now is 207.0 secs Computing kpt #: 191 total cpu time spent up to now is 208.0 secs Computing kpt #: 192 total cpu time spent up to now is 209.1 secs Computing kpt #: 193 total cpu time spent up to now is 210.2 secs Computing kpt #: 194 total cpu time spent up to now is 211.3 secs Computing kpt #: 195 total cpu time spent up to now is 212.4 secs Computing kpt #: 196 total cpu time spent up to now is 213.5 secs Computing kpt #: 197 total cpu time spent up to now is 214.6 secs Computing kpt #: 198 total cpu time spent up to now is 215.7 secs Computing kpt #: 199 total cpu time spent up to now is 216.8 secs Computing kpt #: 200 total cpu time spent up to now is 218.0 secs Computing kpt #: 201 total cpu time spent up to now is 219.2 secs Computing kpt #: 202 total cpu time spent up to now is 220.7 secs Computing kpt #: 203 total cpu time spent up to now is 222.6 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.5 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.6 secs Computing kpt #: 207 total cpu time spent up to now is 232.3 secs Computing kpt #: 208 total cpu time spent up to now is 233.7 secs Computing kpt #: 209 total cpu time spent up to now is 235.0 secs Computing kpt #: 210 total cpu time spent up to now is 236.2 secs Computing kpt #: 211 total cpu time spent up to now is 237.5 secs Computing kpt #: 212 total cpu time spent up to now is 238.7 secs Computing kpt #: 213 total cpu time spent up to now is 239.9 secs Computing kpt #: 214 total cpu time spent up to now is 241.1 secs Computing kpt #: 215 total cpu time spent up to now is 242.2 secs Computing kpt #: 216 total cpu time spent up to now is 243.3 secs Computing kpt #: 217 total cpu time spent up to now is 244.4 secs Computing kpt #: 218 total cpu time spent up to now is 245.4 secs Computing kpt #: 219 total cpu time spent up to now is 246.3 secs Computing kpt #: 220 total cpu time spent up to now is 247.3 secs Computing kpt #: 221 total cpu time spent up to now is 248.3 secs Computing kpt #: 222 total cpu time spent up to now is 249.2 secs Computing kpt #: 223 total cpu time spent up to now is 250.2 secs Computing kpt #: 224 total cpu time spent up to now is 251.1 secs Computing kpt #: 225 total cpu time spent up to now is 252.0 secs Computing kpt #: 226 total cpu time spent up to now is 253.0 secs Computing kpt #: 227 total cpu time spent up to now is 253.9 secs Computing kpt #: 228 total cpu time spent up to now is 254.9 secs Computing kpt #: 229 total cpu time spent up to now is 255.8 secs Computing kpt #: 230 total cpu time spent up to now is 256.7 secs Computing kpt #: 231 total cpu time spent up to now is 257.6 secs Computing kpt #: 232 total cpu time spent up to now is 258.5 secs Computing kpt #: 233 total cpu time spent up to now is 259.5 secs Computing kpt #: 234 total cpu time spent up to now is 260.4 secs Computing kpt #: 235 total cpu time spent up to now is 261.3 secs Computing kpt #: 236 total cpu time spent up to now is 262.3 secs Computing kpt #: 237 total cpu time spent up to now is 263.3 secs Computing kpt #: 238 total cpu time spent up to now is 264.2 secs Computing kpt #: 239 total cpu time spent up to now is 265.3 secs Computing kpt #: 240 total cpu time spent up to now is 266.3 secs Computing kpt #: 241 total cpu time spent up to now is 267.4 secs Computing kpt #: 242 total cpu time spent up to now is 268.5 secs Computing kpt #: 243 total cpu time spent up to now is 269.6 secs Computing kpt #: 244 total cpu time spent up to now is 271.0 secs Computing kpt #: 245 total cpu time spent up to now is 273.3 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.8 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.4 secs Computing kpt #: 248 total cpu time spent up to now is 280.5 secs Computing kpt #: 249 total cpu time spent up to now is 281.9 secs Computing kpt #: 250 total cpu time spent up to now is 283.2 secs Computing kpt #: 251 total cpu time spent up to now is 284.4 secs Computing kpt #: 252 total cpu time spent up to now is 285.5 secs Computing kpt #: 253 total cpu time spent up to now is 286.5 secs Computing kpt #: 254 total cpu time spent up to now is 287.6 secs Computing kpt #: 255 total cpu time spent up to now is 288.6 secs Computing kpt #: 256 total cpu time spent up to now is 289.7 secs Computing kpt #: 257 total cpu time spent up to now is 290.7 secs Computing kpt #: 258 total cpu time spent up to now is 291.6 secs Computing kpt #: 259 total cpu time spent up to now is 292.6 secs Computing kpt #: 260 total cpu time spent up to now is 293.7 secs Computing kpt #: 261 total cpu time spent up to now is 294.7 secs Computing kpt #: 262 total cpu time spent up to now is 295.7 secs Computing kpt #: 263 total cpu time spent up to now is 296.7 secs Computing kpt #: 264 total cpu time spent up to now is 297.8 secs Computing kpt #: 265 total cpu time spent up to now is 298.9 secs Computing kpt #: 266 total cpu time spent up to now is 299.9 secs Computing kpt #: 267 total cpu time spent up to now is 301.1 secs Computing kpt #: 268 total cpu time spent up to now is 302.2 secs Computing kpt #: 269 total cpu time spent up to now is 303.3 secs Computing kpt #: 270 total cpu time spent up to now is 304.5 secs Computing kpt #: 271 total cpu time spent up to now is 305.8 secs Computing kpt #: 272 total cpu time spent up to now is 307.2 secs Computing kpt #: 273 total cpu time spent up to now is 308.7 secs Computing kpt #: 274 total cpu time spent up to now is 310.0 secs Computing kpt #: 275 total cpu time spent up to now is 311.2 secs Computing kpt #: 276 total cpu time spent up to now is 312.4 secs Computing kpt #: 277 total cpu time spent up to now is 313.6 secs Computing kpt #: 278 total cpu time spent up to now is 314.7 secs Computing kpt #: 279 total cpu time spent up to now is 315.9 secs Computing kpt #: 280 total cpu time spent up to now is 317.0 secs Computing kpt #: 281 total cpu time spent up to now is 318.2 secs Computing kpt #: 282 total cpu time spent up to now is 319.3 secs Computing kpt #: 283 total cpu time spent up to now is 320.4 secs Computing kpt #: 284 total cpu time spent up to now is 321.5 secs Computing kpt #: 285 total cpu time spent up to now is 322.6 secs Computing kpt #: 286 total cpu time spent up to now is 323.7 secs Computing kpt #: 287 total cpu time spent up to now is 324.8 secs Computing kpt #: 288 total cpu time spent up to now is 325.9 secs Computing kpt #: 289 total cpu time spent up to now is 326.9 secs Computing kpt #: 290 total cpu time spent up to now is 328.0 secs Computing kpt #: 291 total cpu time spent up to now is 329.1 secs Computing kpt #: 292 total cpu time spent up to now is 330.1 secs Computing kpt #: 293 total cpu time spent up to now is 331.1 secs Computing kpt #: 294 total cpu time spent up to now is 332.0 secs Computing kpt #: 295 total cpu time spent up to now is 333.0 secs Computing kpt #: 296 total cpu time spent up to now is 333.9 secs Computing kpt #: 297 total cpu time spent up to now is 334.9 secs Computing kpt #: 298 total cpu time spent up to now is 335.8 secs Computing kpt #: 299 total cpu time spent up to now is 336.7 secs Computing kpt #: 300 total cpu time spent up to now is 337.6 secs Computing kpt #: 301 total cpu time spent up to now is 338.4 secs Computing kpt #: 302 total cpu time spent up to now is 339.3 secs Computing kpt #: 303 total cpu time spent up to now is 340.2 secs Computing kpt #: 304 total cpu time spent up to now is 341.0 secs Computing kpt #: 305 total cpu time spent up to now is 342.1 secs Computing kpt #: 306 total cpu time spent up to now is 343.1 secs Computing kpt #: 307 total cpu time spent up to now is 344.2 secs Computing kpt #: 308 total cpu time spent up to now is 345.3 secs Computing kpt #: 309 total cpu time spent up to now is 346.3 secs Computing kpt #: 310 total cpu time spent up to now is 347.4 secs Computing kpt #: 311 total cpu time spent up to now is 348.4 secs Computing kpt #: 312 total cpu time spent up to now is 349.5 secs Computing kpt #: 313 total cpu time spent up to now is 350.6 secs Computing kpt #: 314 total cpu time spent up to now is 351.6 secs Computing kpt #: 315 total cpu time spent up to now is 352.8 secs Computing kpt #: 316 total cpu time spent up to now is 353.9 secs Computing kpt #: 317 total cpu time spent up to now is 355.1 secs Computing kpt #: 318 total cpu time spent up to now is 356.3 secs Computing kpt #: 319 total cpu time spent up to now is 357.6 secs Computing kpt #: 320 total cpu time spent up to now is 358.9 secs Computing kpt #: 321 total cpu time spent up to now is 360.4 secs Computing kpt #: 322 total cpu time spent up to now is 362.1 secs Computing kpt #: 323 total cpu time spent up to now is 364.0 secs Computing kpt #: 324 total cpu time spent up to now is 366.3 secs Computing kpt #: 325 total cpu time spent up to now is 368.4 secs Computing kpt #: 326 total cpu time spent up to now is 370.8 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.4 secs Computing kpt #: 328 total cpu time spent up to now is 375.8 secs Computing kpt #: 329 total cpu time spent up to now is 376.9 secs Computing kpt #: 330 total cpu time spent up to now is 378.1 secs Computing kpt #: 331 total cpu time spent up to now is 379.2 secs Computing kpt #: 332 total cpu time spent up to now is 380.3 secs Computing kpt #: 333 total cpu time spent up to now is 381.4 secs Computing kpt #: 334 total cpu time spent up to now is 382.6 secs Computing kpt #: 335 total cpu time spent up to now is 383.7 secs Computing kpt #: 336 total cpu time spent up to now is 384.9 secs Computing kpt #: 337 total cpu time spent up to now is 386.0 secs Computing kpt #: 338 total cpu time spent up to now is 387.2 secs Computing kpt #: 339 total cpu time spent up to now is 388.3 secs Computing kpt #: 340 total cpu time spent up to now is 389.5 secs Computing kpt #: 341 total cpu time spent up to now is 390.7 secs Computing kpt #: 342 total cpu time spent up to now is 391.9 secs Computing kpt #: 343 total cpu time spent up to now is 393.0 secs Computing kpt #: 344 total cpu time spent up to now is 394.3 secs Computing kpt #: 345 total cpu time spent up to now is 395.5 secs Computing kpt #: 346 total cpu time spent up to now is 396.7 secs Computing kpt #: 347 total cpu time spent up to now is 398.4 secs Computing kpt #: 348 total cpu time spent up to now is 400.3 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 402.8 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.4 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.0 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.6 secs ethr = 1.47E-08, avg # of iterations = 29.5 total cpu time spent up to now is 410.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3781 PWs) bands (ev): 2.8967 2.8967 3.6454 3.6454 3.7281 3.7281 5.5697 5.5697 5.6776 5.6776 5.7711 5.7711 6.7572 6.7572 7.5881 7.5881 9.5979 9.5979 9.8287 9.8287 10.5924 10.5924 10.6076 10.6076 10.7448 10.7448 11.0689 11.0689 11.2962 11.2962 11.6448 11.6448 11.8703 11.8703 11.9930 11.9930 13.0080 13.0080 13.6526 13.6526 13.8221 13.8221 14.0111 14.0111 14.1422 14.1422 14.5392 14.5392 14.7829 14.7829 15.0054 15.0054 15.1629 15.1629 15.1772 15.1772 15.2254 15.2254 15.6702 15.6702 15.8738 15.8738 15.8901 15.8901 16.0388 16.0388 16.8606 16.8606 16.8627 16.8627 18.6944 18.6944 18.7154 18.7154 20.6666 20.6666 20.8885 20.8885 21.6285 21.6285 21.6380 21.6380 k = 0.0000 0.0125-0.0000 ( 3781 PWs) bands (ev): 2.8977 2.8977 3.6456 3.6456 3.7282 3.7282 5.5701 5.5701 5.6780 5.6780 5.7711 5.7711 6.7581 6.7581 7.5899 7.5899 9.5974 9.5974 9.8282 9.8282 10.5932 10.5932 10.6090 10.6090 10.7462 10.7462 11.0699 11.0699 11.2971 11.2971 11.6442 11.6442 11.8705 11.8705 11.9925 11.9925 13.0076 13.0076 13.6506 13.6506 13.8232 13.8232 14.0092 14.0092 14.1401 14.1401 14.5387 14.5387 14.7824 14.7824 15.0045 15.0045 15.1571 15.1571 15.1765 15.1765 15.2266 15.2266 15.6697 15.6697 15.8511 15.8511 15.9074 15.9074 16.0336 16.0336 16.8549 16.8549 16.8714 16.8714 18.6902 18.6902 18.7206 18.7206 20.6598 20.6598 20.8917 20.8917 21.6187 21.6187 21.6331 21.6331 k = 0.0000 0.0250-0.0000 ( 3793 PWs) bands (ev): 2.9007 2.9007 3.6462 3.6462 3.7285 3.7285 5.5713 5.5713 5.6791 5.6791 5.7713 5.7713 6.7607 6.7607 7.5954 7.5954 9.5959 9.5959 9.8264 9.8264 10.5955 10.5955 10.6132 10.6132 10.7505 10.7505 11.0727 11.0727 11.2998 11.2998 11.6425 11.6425 11.8709 11.8709 11.9911 11.9911 13.0063 13.0063 13.6449 13.6449 13.8265 13.8265 14.0034 14.0034 14.1340 14.1340 14.5373 14.5373 14.7809 14.7809 15.0019 15.0019 15.1424 15.1424 15.1732 15.1732 15.2286 15.2286 15.6678 15.6678 15.8176 15.8176 15.9248 15.9248 16.0188 16.0188 16.8431 16.8431 16.8917 16.8917 18.6794 18.6794 18.7342 18.7342 20.6395 20.6395 20.9001 20.9001 21.5837 21.5837 21.6366 21.6366 k = 0.0000 0.0375-0.0000 ( 3790 PWs) bands (ev): 2.9057 2.9057 3.6473 3.6473 3.7290 3.7290 5.5734 5.5734 5.6809 5.6809 5.7715 5.7715 6.7651 6.7651 7.6045 7.6045 9.5933 9.5933 9.8237 9.8237 10.5996 10.5996 10.6198 10.6198 10.7575 10.7575 11.0775 11.0775 11.3042 11.3042 11.6395 11.6395 11.8717 11.8717 11.9889 11.9889 13.0039 13.0039 13.6355 13.6355 13.8318 13.8318 13.9934 13.9934 14.1244 14.1244 14.5348 14.5348 14.7782 14.7782 14.9971 14.9971 15.1225 15.1225 15.1667 15.1667 15.2293 15.2293 15.6632 15.6632 15.7812 15.7812 15.9360 15.9360 15.9957 15.9957 16.8244 16.8244 16.9236 16.9236 18.6629 18.6629 18.7554 18.7554 20.6066 20.6066 20.9105 20.9105 21.5435 21.5435 21.6422 21.6422 k = 0.0000 0.0500-0.0000 ( 3790 PWs) bands (ev): 2.9126 2.9126 3.6488 3.6488 3.7297 3.7297 5.5763 5.5763 5.6834 5.6834 5.7719 5.7719 6.7712 6.7712 7.6172 7.6172 9.5896 9.5896 9.8202 9.8202 10.6057 10.6057 10.6285 10.6285 10.7674 10.7674 11.0843 11.0843 11.3103 11.3103 11.6351 11.6351 11.8727 11.8727 11.9860 11.9860 13.0003 13.0003 13.6228 13.6228 13.8390 13.8390 13.9789 13.9789 14.1120 14.1120 14.5310 14.5310 14.7741 14.7741 14.9894 14.9894 15.0999 15.0999 15.1568 15.1568 15.2273 15.2273 15.6529 15.6529 15.7456 15.7456 15.9400 15.9400 15.9668 15.9668 16.7990 16.7990 16.9658 16.9658 18.6405 18.6405 18.7842 18.7842 20.5622 20.5622 20.9172 20.9172 21.5034 21.5034 21.6491 21.6491 k = 0.0000 0.0625-0.0000 ( 3786 PWs) bands (ev): 2.9215 2.9215 3.6507 3.6507 3.7306 3.7306 5.5799 5.5799 5.6867 5.6867 5.7723 5.7723 6.7792 6.7792 7.6335 7.6335 9.5848 9.5848 9.8162 9.8162 10.6138 10.6138 10.6392 10.6392 10.7799 10.7799 11.0929 11.0929 11.3181 11.3181 11.6294 11.6294 11.8741 11.8741 11.9824 11.9824 12.9950 12.9950 13.6074 13.6074 13.8479 13.8479 13.9596 13.9596 14.0975 14.0975 14.5255 14.5255 14.7679 14.7679 14.9775 14.9775 15.0772 15.0772 15.1435 15.1435 15.2225 15.2225 15.6312 15.6312 15.7166 15.7166 15.9293 15.9293 15.9418 15.9418 16.7673 16.7673 17.0166 17.0166 18.6122 18.6122 18.8204 18.8204 20.5075 20.5075 20.9120 20.9120 21.4652 21.4652 21.6601 21.6601 k = 0.0000 0.0750-0.0000 ( 3790 PWs) bands (ev): 2.9323 2.9323 3.6529 3.6529 3.7317 3.7317 5.5842 5.5842 5.6906 5.6906 5.7728 5.7728 6.7890 6.7890 7.6533 7.6533 9.5788 9.5788 9.8120 9.8120 10.6237 10.6237 10.6516 10.6516 10.7952 10.7952 11.1033 11.1033 11.3273 11.3273 11.6220 11.6220 11.8758 11.8758 11.9783 11.9783 12.9877 12.9877 13.5897 13.5897 13.8580 13.8580 13.9355 13.9355 14.0817 14.0817 14.5182 14.5182 14.7592 14.7592 14.9604 14.9604 15.0566 15.0566 15.1263 15.1263 15.2151 15.2151 15.5957 15.5957 15.6964 15.6964 15.8964 15.8964 15.9307 15.9307 16.7303 16.7303 17.0747 17.0747 18.5781 18.5781 18.8637 18.8637 20.4434 20.4434 20.8846 20.8846 21.4338 21.4338 21.6805 21.6805 k = 0.0000 0.0875-0.0000 ( 3788 PWs) bands (ev): 2.9449 2.9449 3.6556 3.6556 3.7330 3.7330 5.5892 5.5892 5.6952 5.6952 5.7734 5.7734 6.8006 6.8006 7.6767 7.6767 9.5717 9.5717 9.8078 9.8078 10.6353 10.6353 10.6657 10.6657 10.8130 10.8130 11.1156 11.1156 11.3377 11.3377 11.6130 11.6130 11.8778 11.8778 11.9739 11.9739 12.9778 12.9778 13.5705 13.5705 13.8684 13.8684 13.9072 13.9072 14.0647 14.0647 14.5088 14.5088 14.7469 14.7469 14.9381 14.9381 15.0388 15.0388 15.1058 15.1058 15.2055 15.2055 15.5513 15.5513 15.6794 15.6794 15.8627 15.8627 15.9151 15.9151 16.6886 16.6886 17.1387 17.1387 18.5383 18.5383 18.9136 18.9136 20.3710 20.3710 20.8275 20.8275 21.4170 21.4170 21.7143 21.7143 k = 0.0000 0.1000-0.0000 ( 3786 PWs) bands (ev): 2.9593 2.9593 3.6586 3.6586 3.7344 3.7344 5.5949 5.5949 5.7005 5.7005 5.7742 5.7742 6.8141 6.8141 7.7035 7.7035 9.5634 9.5634 9.8040 9.8040 10.6483 10.6483 10.6815 10.6815 10.8334 10.8334 11.1298 11.1298 11.3491 11.3491 11.6023 11.6023 11.8801 11.8801 11.9695 11.9695 12.9649 12.9649 13.5503 13.5503 13.8655 13.8655 13.8886 13.8886 14.0464 14.0464 14.4972 14.4972 14.7302 14.7302 14.9126 14.9126 15.0214 15.0214 15.0836 15.0836 15.1942 15.1942 15.5033 15.5033 15.6590 15.6590 15.8326 15.8326 15.8938 15.8938 16.6433 16.6433 17.2076 17.2076 18.4932 18.4932 18.9695 18.9695 20.2906 20.2906 20.7425 20.7425 21.4181 21.4181 21.7626 21.7626 k = 0.0000 0.1125-0.0000 ( 3782 PWs) bands (ev): 2.9754 2.9754 3.6619 3.6619 3.7360 3.7360 5.6011 5.6011 5.7064 5.7064 5.7751 5.7751 6.8295 6.8295 7.7337 7.7337 9.5541 9.5541 9.8009 9.8009 10.6623 10.6623 10.6989 10.6989 10.8562 10.8562 11.1457 11.1457 11.3607 11.3607 11.5902 11.5902 11.8828 11.8828 11.9653 11.9653 12.9482 12.9482 13.5300 13.5300 13.8305 13.8305 13.8982 13.8982 14.0268 14.0268 14.4834 14.4834 14.7085 14.7085 14.8865 14.8865 14.9991 14.9991 15.0637 15.0637 15.1816 15.1816 15.4543 15.4543 15.6316 15.6316 15.8079 15.8079 15.8678 15.8678 16.5952 16.5952 17.2804 17.2804 18.4430 18.4430 19.0305 19.0305 20.2016 20.2016 20.6394 20.6394 21.4342 21.4342 21.8240 21.8240 k = 0.0000 0.1250-0.0000 ( 3786 PWs) bands (ev): 2.9932 2.9932 3.6655 3.6655 3.7378 3.7378 5.6078 5.6078 5.7130 5.7130 5.7760 5.7760 6.8469 6.8469 7.7674 7.7674 9.5438 9.5438 9.7985 9.7985 10.6769 10.6769 10.7182 10.7182 10.8814 10.8814 11.1634 11.1634 11.3715 11.3715 11.5774 11.5774 11.8860 11.8860 11.9616 11.9616 12.9272 12.9272 13.5102 13.5102 13.7888 13.7888 13.9108 13.9108 14.0054 14.0054 14.4670 14.4670 14.6820 14.6820 14.8614 14.8614 14.9679 14.9679 15.0497 15.0497 15.1679 15.1679 15.4054 15.4054 15.5960 15.5960 15.7878 15.7878 15.8389 15.8389 16.5455 16.5455 17.3562 17.3562 18.3882 18.3882 19.0951 19.0951 20.1035 20.1035 20.5302 20.5302 21.4606 21.4606 21.8956 21.8956 k = 0.0000 0.1375-0.0000 ( 3786 PWs) bands (ev): 3.0126 3.0126 3.6694 3.6694 3.7397 3.7397 5.6149 5.6149 5.7200 5.7200 5.7771 5.7771 6.8663 6.8663 7.8043 7.8043 9.5327 9.5327 9.7970 9.7970 10.6916 10.6916 10.7393 10.7393 10.9089 10.9089 11.1828 11.1828 11.3796 11.3796 11.5653 11.5653 11.8896 11.8896 11.9585 11.9585 12.9017 12.9017 13.4915 13.4915 13.7434 13.7434 13.9230 13.9230 13.9824 13.9824 14.4482 14.4482 14.6520 14.6520 14.8373 14.8373 14.9288 14.9288 15.0408 15.0408 15.1535 15.1535 15.3571 15.3571 15.5537 15.5537 15.7672 15.7672 15.8113 15.8113 16.4950 16.4950 17.4344 17.4344 18.3292 18.3292 19.1614 19.1614 19.9961 19.9961 20.4242 20.4242 21.4941 21.4941 21.9735 21.9735 k = 0.0000 0.1500-0.0000 ( 3782 PWs) bands (ev): 3.0335 3.0335 3.6736 3.6736 3.7417 3.7417 5.6224 5.6224 5.7276 5.7276 5.7784 5.7784 6.8877 6.8877 7.8444 7.8444 9.5210 9.5210 9.7966 9.7966 10.7061 10.7061 10.7623 10.7623 10.9385 10.9385 11.2038 11.2038 11.3819 11.3819 11.5567 11.5567 11.8937 11.8937 11.9564 11.9564 12.8714 12.8714 13.4738 13.4738 13.6953 13.6953 13.9315 13.9315 13.9596 13.9596 14.4269 14.4269 14.6205 14.6205 14.8131 14.8131 14.8851 14.8851 15.0341 15.0341 15.1388 15.1388 15.3094 15.3094 15.5064 15.5064 15.7387 15.7387 15.7917 15.7917 16.4444 16.4444 17.5142 17.5142 18.2667 18.2667 19.2252 19.2252 19.8829 19.8829 20.3274 20.3274 21.5323 21.5323 22.0526 22.0526 k = 0.0000 0.1625-0.0000 ( 3790 PWs) bands (ev): 3.0557 3.0557 3.6780 3.6780 3.7438 3.7438 5.6302 5.6302 5.7355 5.7355 5.7798 5.7798 6.9112 6.9112 7.8877 7.8877 9.5090 9.5090 9.7972 9.7972 10.7200 10.7200 10.7869 10.7869 10.9702 10.9702 11.2263 11.2263 11.3748 11.3748 11.5550 11.5550 11.8986 11.8986 11.9554 11.9554 12.8365 12.8365 13.4566 13.4566 13.6457 13.6457 13.9192 13.9192 13.9532 13.9532 14.4035 14.4035 14.5893 14.5893 14.7861 14.7861 14.8405 14.8405 15.0277 15.0277 15.1244 15.1244 15.2620 15.2620 15.4556 15.4556 15.7019 15.7019 15.7800 15.7800 16.3946 16.3946 17.5950 17.5950 18.2011 18.2011 19.2766 19.2766 19.7753 19.7753 20.2414 20.2414 21.5742 21.5742 22.1269 22.1269 k = 0.0000 0.1750-0.0000 ( 3802 PWs) bands (ev): 3.0792 3.0792 3.6826 3.6826 3.7460 3.7460 5.6383 5.6383 5.7437 5.7437 5.7815 5.7815 6.9369 6.9369 7.9340 7.9340 9.4969 9.4969 9.7988 9.7988 10.7331 10.7331 10.8129 10.8129 11.0038 11.0038 11.2501 11.2501 11.3565 11.3565 11.5621 11.5621 11.9042 11.9042 11.9556 11.9556 12.7971 12.7971 13.4386 13.4386 13.5965 13.5965 13.8891 13.8891 13.9589 13.9589 14.3786 14.3786 14.5597 14.5597 14.7523 14.7523 14.8000 14.8000 15.0192 15.0192 15.1112 15.1112 15.2145 15.2145 15.4025 15.4025 15.6615 15.6615 15.7717 15.7717 16.3461 16.3461 17.6758 17.6758 18.1332 18.1332 19.2925 19.2925 19.6992 19.6992 20.1659 20.1659 21.6189 21.6189 22.1894 22.1894 k = 0.0000 0.1875-0.0000 ( 3800 PWs) bands (ev): 3.1038 3.1038 3.6873 3.6873 3.7484 3.7484 5.6465 5.6465 5.7521 5.7521 5.7835 5.7835 6.9647 6.9647 7.9832 7.9832 9.4848 9.4848 9.8015 9.8015 10.7451 10.7451 10.8401 10.8401 11.0391 11.0391 11.2741 11.2741 11.3289 11.3289 11.5773 11.5773 11.9107 11.9107 11.9571 11.9571 12.7539 12.7539 13.4164 13.4164 13.5512 13.5512 13.8541 13.8541 13.9634 13.9634 14.3532 14.3532 14.5321 14.5321 14.7098 14.7098 14.7661 14.7661 15.0065 15.0065 15.1003 15.1003 15.1675 15.1675 15.3483 15.3483 15.6203 15.6203 15.7645 15.7645 16.2994 16.2994 17.7554 17.7554 18.0644 18.0644 19.2429 19.2429 19.6874 19.6874 20.0995 20.0995 21.6659 21.6659 22.2346 22.2346 k = 0.0000 0.2000-0.0000 ( 3794 PWs) bands (ev): 3.1295 3.1295 3.6922 3.6922 3.7508 3.7508 5.6549 5.6549 5.7604 5.7604 5.7860 5.7860 6.9947 6.9947 8.0353 8.0353 9.4731 9.4731 9.8052 9.8052 10.7554 10.7554 10.8682 10.8682 11.0757 11.0757 11.2809 11.2809 11.3117 11.3117 11.5984 11.5984 11.9182 11.9182 11.9601 11.9601 12.7075 12.7075 13.3850 13.3850 13.5149 13.5149 13.8156 13.8156 13.9645 13.9645 14.3282 14.3282 14.5057 14.5057 14.6628 14.6628 14.7358 14.7358 14.9872 14.9872 15.0889 15.0889 15.1241 15.1241 15.2941 15.2941 15.5799 15.5799 15.7576 15.7576 16.2548 16.2548 17.8290 17.8290 17.9991 17.9991 19.1383 19.1383 19.7320 19.7320 20.0409 20.0409 21.7147 21.7147 22.2606 22.2606 k = 0.0000 0.2125-0.0000 ( 3794 PWs) bands (ev): 3.1561 3.1561 3.6972 3.6972 3.7532 3.7532 5.6633 5.6633 5.7680 5.7680 5.7895 5.7895 7.0269 7.0269 8.0901 8.0901 9.4620 9.4620 9.8098 9.8098 10.7636 10.7636 10.8966 10.8966 11.1121 11.1121 11.2441 11.2441 11.3347 11.3347 11.6238 11.6238 11.9267 11.9267 11.9648 11.9648 12.6587 12.6587 13.3419 13.3419 13.4903 13.4903 13.7742 13.7742 13.9612 13.9612 14.3043 14.3043 14.4788 14.4788 14.6157 14.6157 14.7062 14.7062 14.9595 14.9595 15.0602 15.0602 15.1016 15.1016 15.2418 15.2418 15.5413 15.5413 15.7506 15.7506 16.2126 16.2126 17.8645 17.8645 17.9695 17.9695 19.0094 19.0094 19.8035 19.8035 19.9895 19.9895 21.7650 21.7650 22.2691 22.2691 k = 0.0000 0.2250-0.0000 ( 3790 PWs) bands (ev): 3.1834 3.1834 3.7022 3.7022 3.7557 3.7557 5.6717 5.6717 5.7744 5.7744 5.7945 5.7945 7.0614 7.0614 8.1474 8.1474 9.4515 9.4515 9.8153 9.8153 10.7685 10.7685 10.9249 10.9249 11.1400 11.1400 11.2084 11.2084 11.3632 11.3632 11.6524 11.6524 11.9360 11.9360 11.9714 11.9714 12.6080 12.6080 13.2897 13.2897 13.4750 13.4750 13.7305 13.7305 13.9535 13.9535 14.2814 14.2814 14.4493 14.4493 14.5713 14.5713 14.6771 14.6771 14.9217 14.9217 15.0187 15.0187 15.0945 15.0945 15.1947 15.1947 15.5052 15.5052 15.7433 15.7433 16.1729 16.1729 17.8158 17.8158 18.0214 18.0214 18.8730 18.8730 19.8824 19.8824 19.9490 19.9490 21.8164 21.8164 22.2635 22.2635 k = 0.0000 0.2375-0.0000 ( 3784 PWs) bands (ev): 3.2113 3.2113 3.7072 3.7072 3.7583 3.7583 5.6800 5.6800 5.7792 5.7792 5.8013 5.8013 7.0982 7.0982 8.2071 8.2071 9.4419 9.4419 9.8216 9.8216 10.7686 10.7686 10.9526 10.9526 11.1232 11.1232 11.2165 11.2165 11.3931 11.3931 11.6833 11.6833 11.9457 11.9457 11.9805 11.9805 12.5563 12.5563 13.2328 13.2328 13.4647 13.4647 13.6852 13.6852 13.9414 13.9414 14.2588 14.2588 14.4150 14.4150 14.5311 14.5311 14.6495 14.6495 14.8730 14.8730 14.9788 14.9788 15.0819 15.0819 15.1603 15.1603 15.4719 15.4719 15.7359 15.7359 16.1357 16.1357 17.7442 17.7442 18.0931 18.0931 18.7366 18.7366 19.8929 19.8929 19.9884 19.9884 21.8681 21.8681 22.2472 22.2472 k = 0.0000 0.2500-0.0000 ( 3792 PWs) bands (ev): 3.2397 3.2397 3.7122 3.7122 3.7609 3.7609 5.6883 5.6883 5.7827 5.7827 5.8095 5.8095 7.1372 7.1372 8.2690 8.2690 9.4334 9.4334 9.8287 9.8287 10.7612 10.7612 10.9787 10.9787 11.0798 11.0798 11.2541 11.2541 11.4240 11.4240 11.7161 11.7161 11.9555 11.9555 11.9927 11.9927 12.5044 12.5044 13.1740 13.1740 13.4567 13.4567 13.6390 13.6390 13.9255 13.9255 14.2350 14.2350 14.3758 14.3758 14.4939 14.4939 14.6252 14.6252 14.8151 14.8151 14.9415 14.9415 15.0538 15.0538 15.1466 15.1466 15.4415 15.4415 15.7286 15.7286 16.1011 16.1011 17.6681 17.6681 18.1647 18.1647 18.6048 18.6048 19.8599 19.8599 20.0797 20.0797 21.9193 21.9193 22.2231 22.2231 k = 0.0000 0.2625-0.0000 ( 3786 PWs) bands (ev): 3.2683 3.2683 3.7172 3.7172 3.7635 3.7635 5.6964 5.6964 5.7854 5.7854 5.8184 5.8184 7.1785 7.1785 8.3328 8.3328 9.4259 9.4259 9.8366 9.8366 10.7423 10.7423 10.9990 10.9990 11.0417 11.0417 11.2973 11.2973 11.4553 11.4553 11.7504 11.7504 11.9651 11.9651 12.0085 12.0085 12.4529 12.4529 13.1150 13.1150 13.4491 13.4491 13.5926 13.5926 13.9063 13.9063 14.2080 14.2080 14.3338 14.3338 14.4570 14.4570 14.6059 14.6059 14.7514 14.7514 14.9052 14.9052 15.0168 15.0168 15.1460 15.1460 15.4143 15.4143 15.7214 15.7214 16.0692 16.0692 17.5906 17.5906 18.2287 18.2287 18.4844 18.4844 19.8290 19.8290 20.1752 20.1752 21.9677 21.9677 22.1949 22.1949 k = 0.0000 0.2750-0.0000 ( 3790 PWs) bands (ev): 3.2970 3.2970 3.7220 3.7220 3.7661 3.7661 5.7043 5.7043 5.7878 5.7878 5.8277 5.8277 7.2220 7.2220 8.3985 8.3985 9.4197 9.4197 9.8451 9.8451 10.7078 10.7078 10.9911 10.9911 11.0387 11.0387 11.3427 11.3427 11.4871 11.4871 11.7857 11.7857 11.9743 11.9743 12.0278 12.0278 12.4028 12.4028 13.0570 13.0570 13.4405 13.4405 13.5473 13.5473 13.8846 13.8846 14.1755 14.1755 14.2919 14.2919 14.4182 14.4182 14.5920 14.5920 14.6849 14.6849 14.8684 14.8684 14.9791 14.9791 15.1489 15.1489 15.3909 15.3909 15.7147 15.7147 16.0398 16.0398 17.5125 17.5125 18.2558 18.2558 18.4052 18.4052 19.8022 19.8022 20.2719 20.2719 22.0072 22.0072 22.1699 22.1699 k = 0.0000 0.2875-0.0000 ( 3796 PWs) bands (ev): 3.3256 3.3256 3.7267 3.7267 3.7688 3.7688 5.7120 5.7120 5.7900 5.7900 5.8370 5.8370 7.2677 7.2677 8.4657 8.4657 9.4146 9.4146 9.8543 9.8543 10.6563 10.6563 10.9714 10.9714 11.0565 11.0565 11.3891 11.3891 11.5189 11.5189 11.8217 11.8217 11.9831 11.9831 12.0506 12.0506 12.3551 12.3551 13.0009 13.0009 13.4288 13.4288 13.5049 13.5049 13.8609 13.8609 14.1364 14.1364 14.2513 14.2513 14.3771 14.3771 14.5828 14.5828 14.6185 14.6185 14.8305 14.8305 14.9437 14.9437 15.1502 15.1502 15.3724 15.3724 15.7088 15.7088 16.0129 16.0129 17.4344 17.4344 18.1896 18.1896 18.4238 18.4238 19.7794 19.7794 20.3687 20.3687 22.0210 22.0210 22.1655 22.1655 k = 0.0000 0.3000-0.0000 ( 3792 PWs) bands (ev): 3.3540 3.3540 3.7313 3.7313 3.7714 3.7714 5.7194 5.7194 5.7920 5.7920 5.8462 5.8462 7.3155 7.3155 8.5341 8.5341 9.4109 9.4109 9.8639 9.8639 10.5903 10.5903 10.9589 10.9589 11.0740 11.0740 11.4359 11.4359 11.5507 11.5507 11.8580 11.8580 11.9911 11.9911 12.0767 12.0767 12.3111 12.3111 12.9472 12.9472 13.4099 13.4099 13.4695 13.4695 13.8358 13.8358 14.0911 14.0911 14.2112 14.2112 14.3337 14.3337 14.5546 14.5546 14.5775 14.5775 14.7918 14.7918 14.9111 14.9111 15.1463 15.1463 15.3606 15.3606 15.7037 15.7037 15.9884 15.9884 17.3568 17.3568 18.0905 18.0905 18.4802 18.4802 19.7607 19.7607 20.4648 20.4648 21.9986 21.9986 22.1932 22.1932 k = 0.0000 0.3125-0.0000 ( 3792 PWs) bands (ev): 3.3819 3.3819 3.7356 3.7356 3.7740 3.7740 5.7265 5.7265 5.7940 5.7940 5.8551 5.8551 7.3653 7.3653 8.6033 8.6033 9.4085 9.4085 9.8741 9.8741 10.5138 10.5138 10.9521 10.9521 11.0887 11.0887 11.4825 11.4825 11.5827 11.5827 11.8940 11.8940 11.9974 11.9974 12.1061 12.1061 12.2725 12.2725 12.8966 12.8966 13.3803 13.3803 13.4446 13.4446 13.8095 13.8095 14.0417 14.0417 14.1696 14.1696 14.2871 14.2871 14.4982 14.4982 14.5736 14.5736 14.7525 14.7525 14.8814 14.8814 15.1342 15.1342 15.3572 15.3572 15.6997 15.6997 15.9664 15.9664 17.2801 17.2801 17.9918 17.9918 18.5411 18.5411 19.7458 19.7458 20.5596 20.5596 21.9556 21.9556 22.2377 22.2377 k = 0.0000 0.3250-0.0000 ( 3794 PWs) bands (ev): 3.4092 3.4092 3.7397 3.7397 3.7766 3.7766 5.7333 5.7333 5.7960 5.7960 5.8638 5.8638 7.4170 7.4170 8.6731 8.6731 9.4073 9.4073 9.8847 9.8847 10.4304 10.4304 10.9489 10.9489 11.0998 11.0998 11.5275 11.5275 11.6153 11.6153 11.9285 11.9285 12.0012 12.0012 12.1385 12.1385 12.2420 12.2420 12.8494 12.8494 13.3437 13.3437 13.4265 13.4265 13.7825 13.7825 13.9901 13.9901 14.1254 14.1254 14.2354 14.2354 14.4520 14.4520 14.5710 14.5710 14.7133 14.7133 14.8543 14.8543 15.1130 15.1130 15.3622 15.3622 15.6968 15.6968 15.9467 15.9467 17.2049 17.2049 17.8990 17.8990 18.6010 18.6010 19.7345 19.7345 20.6524 20.6524 21.9040 21.9040 22.2876 22.2876 k = 0.0000 0.3375-0.0000 ( 3790 PWs) bands (ev): 3.4356 3.4356 3.7435 3.7435 3.7792 3.7792 5.7396 5.7396 5.7978 5.7978 5.8721 5.8721 7.4703 7.4703 8.7430 8.7430 9.4074 9.4074 9.8956 9.8956 10.3426 10.3426 10.9473 10.9473 11.1068 11.1068 11.5692 11.5692 11.6496 11.6496 11.9572 11.9572 12.0043 12.0043 12.1736 12.1736 12.2221 12.2221 12.8061 12.8061 13.3056 13.3056 13.4099 13.4099 13.7550 13.7550 13.9379 13.9379 14.0789 14.0789 14.1773 14.1773 14.4176 14.4176 14.5690 14.5690 14.6748 14.6748 14.8296 14.8296 15.0836 15.0836 15.3739 15.3739 15.6952 15.6952 15.9293 15.9293 17.1316 17.1316 17.8134 17.8134 18.6585 18.6585 19.7267 19.7267 20.7427 20.7427 21.8483 21.8483 22.3389 22.3389 k = 0.0000 0.3500-0.0000 ( 3804 PWs) bands (ev): 3.4610 3.4610 3.7470 3.7470 3.7817 3.7817 5.7456 5.7456 5.7997 5.7997 5.8800 5.8800 7.5250 7.5250 8.8124 8.8124 9.4086 9.4086 9.9067 9.9067 10.2521 10.2521 10.9466 10.9466 11.1096 11.1096 11.6054 11.6054 11.6865 11.6865 11.9659 11.9659 12.0200 12.0200 12.2104 12.2104 12.2150 12.2150 12.7671 12.7671 13.2683 13.2683 13.3924 13.3924 13.7272 13.7272 13.8863 13.8863 14.0314 14.0314 14.1138 14.1138 14.3941 14.3941 14.5669 14.5669 14.6373 14.6373 14.8070 14.8070 15.0480 15.0480 15.3902 15.3902 15.6947 15.6947 15.9140 15.9140 17.0609 17.0609 17.7353 17.7353 18.7128 18.7128 19.7222 19.7222 20.8298 20.8298 21.7906 21.7906 22.3898 22.3898 k = 0.0000 0.3625-0.0000 ( 3808 PWs) bands (ev): 3.4852 3.4852 3.7503 3.7503 3.7841 3.7841 5.7511 5.7511 5.8015 5.8015 5.8874 5.8874 7.5808 7.5808 8.8808 8.8808 9.4109 9.4109 9.9180 9.9180 10.1605 10.1605 10.9460 10.9460 11.1082 11.1082 11.6352 11.6352 11.7258 11.7258 11.9555 11.9555 12.0490 12.0490 12.2173 12.2173 12.2505 12.2505 12.7328 12.7328 13.2330 13.2330 13.3729 13.3729 13.6991 13.6991 13.8363 13.8363 13.9842 13.9842 14.0470 14.0470 14.3791 14.3791 14.5647 14.5647 14.6015 14.6015 14.7864 14.7864 15.0077 15.0077 15.4091 15.4091 15.6954 15.6954 15.9006 15.9006 16.9932 16.9932 17.6648 17.6648 18.7637 18.7637 19.7205 19.7205 20.9132 20.9132 21.7324 21.7324 22.4393 22.4393 k = 0.0000 0.3750-0.0000 ( 3812 PWs) bands (ev): 3.5081 3.5081 3.7532 3.7532 3.7864 3.7864 5.7561 5.7561 5.8032 5.8032 5.8943 5.8943 7.6374 7.6374 8.9475 8.9475 9.4143 9.4143 9.9293 9.9293 10.0690 10.0690 10.9452 10.9452 11.1027 11.1027 11.6593 11.6593 11.7636 11.7636 11.9416 11.9416 12.0808 12.0808 12.2286 12.2286 12.2908 12.2908 12.7039 12.7039 13.2000 13.2000 13.3513 13.3513 13.6709 13.6709 13.7886 13.7886 13.9388 13.9388 13.9791 13.9791 14.3702 14.3702 14.5611 14.5611 14.5684 14.5684 14.7678 14.7678 14.9642 14.9642 15.4293 15.4293 15.6973 15.6973 15.8890 15.8890 16.9291 16.9291 17.6017 17.6017 18.8109 18.8109 19.7214 19.7214 20.9922 20.9922 21.6748 21.6748 22.4869 22.4869 k = 0.0000 0.3875-0.0000 ( 3806 PWs) bands (ev): 3.5293 3.5293 3.7559 3.7559 3.7887 3.7887 5.7607 5.7607 5.8049 5.8049 5.9006 5.9006 7.6941 7.6941 9.0117 9.0117 9.4186 9.4186 9.9405 9.9405 9.9790 9.9790 10.9440 10.9440 11.0935 11.0935 11.6788 11.6788 11.7925 11.7925 11.9359 11.9359 12.1120 12.1120 12.2445 12.2445 12.3311 12.3311 12.6810 12.6810 13.1695 13.1695 13.3275 13.3275 13.6428 13.6428 13.7436 13.7436 13.8965 13.8965 13.9117 13.9117 14.3659 14.3659 14.5343 14.5343 14.5603 14.5603 14.7511 14.7511 14.9190 14.9190 15.4495 15.4495 15.7002 15.7002 15.8791 15.8791 16.8691 16.8691 17.5457 17.5457 18.8542 18.8542 19.7246 19.7246 21.0661 21.0661 21.6189 21.6189 22.5317 22.5317 k = 0.0000 0.4000-0.0000 ( 3812 PWs) bands (ev): 3.5489 3.5489 3.7582 3.7582 3.7907 3.7907 5.7647 5.7647 5.8065 5.8065 5.9064 5.9064 7.7504 7.7504 9.0726 9.0726 9.4238 9.4238 9.8911 9.8911 9.9519 9.9519 10.9425 10.9425 11.0812 11.0812 11.6947 11.6947 11.8028 11.8028 11.9491 11.9491 12.1418 12.1418 12.2626 12.2626 12.3699 12.3699 12.6654 12.6654 13.1412 13.1412 13.3020 13.3020 13.6149 13.6149 13.7015 13.7015 13.8464 13.8464 13.8587 13.8587 14.3649 14.3649 14.5043 14.5043 14.5574 14.5574 14.7363 14.7363 14.8731 14.8731 15.4690 15.4690 15.7042 15.7042 15.8704 15.8704 16.8138 16.8138 17.4966 17.4966 18.8933 18.8933 19.7295 19.7295 21.1341 21.1341 21.5658 21.5658 22.5733 22.5733 k = 0.0000 0.4125-0.0000 ( 3812 PWs) bands (ev): 3.5665 3.5665 3.7602 3.7602 3.7926 3.7926 5.7683 5.7683 5.8080 5.8080 5.9115 5.9115 7.8054 7.8054 9.1292 9.1292 9.4298 9.4298 9.8075 9.8075 9.9626 9.9626 10.9404 10.9404 11.0664 11.0664 11.7076 11.7076 11.7960 11.7960 11.9806 11.9806 12.1694 12.1694 12.2807 12.2807 12.4051 12.4051 12.6586 12.6586 13.1144 13.1144 13.2759 13.2759 13.5876 13.5876 13.6626 13.6626 13.7844 13.7844 13.8262 13.8262 14.3661 14.3661 14.4767 14.4767 14.5548 14.5548 14.7234 14.7234 14.8278 14.8278 15.4871 15.4871 15.7090 15.7090 15.8630 15.8630 16.7637 16.7637 17.4541 17.4541 18.9282 18.9282 19.7358 19.7358 21.1951 21.1951 21.5169 21.5169 22.6111 22.6111 k = 0.0000 0.4250-0.0000 ( 3814 PWs) bands (ev): 3.5822 3.5822 3.7620 3.7620 3.7943 3.7943 5.7713 5.7713 5.8093 5.8093 5.9160 5.9160 7.8580 7.8580 9.1802 9.1802 9.4366 9.4366 9.7290 9.7290 9.9729 9.9729 10.9380 10.9380 11.0501 11.0501 11.7179 11.7179 11.7817 11.7817 12.0206 12.0206 12.1942 12.1942 12.2970 12.2970 12.4340 12.4340 12.6626 12.6626 13.0880 13.0880 13.2507 13.2507 13.5611 13.5611 13.6272 13.6272 13.7270 13.7270 13.7993 13.7993 14.3686 14.3686 14.4520 14.4520 14.5529 14.5529 14.7123 14.7123 14.7842 14.7842 15.5032 15.5032 15.7146 15.7146 15.8565 15.8565 16.7191 16.7191 17.4178 17.4178 18.9586 18.9586 19.7429 19.7429 21.2479 21.2479 21.4738 21.4738 22.6446 22.6446 k = 0.0000 0.4375-0.0000 ( 3810 PWs) bands (ev): 3.5956 3.5956 3.7634 3.7634 3.7957 3.7957 5.7739 5.7739 5.8105 5.8105 5.9198 5.9198 7.9071 7.9071 9.2248 9.2248 9.4440 9.4440 9.6574 9.6574 9.9824 9.9824 10.9353 10.9353 11.0336 11.0336 11.7258 11.7258 11.7663 11.7663 12.0628 12.0628 12.2159 12.2159 12.3102 12.3102 12.4548 12.4548 12.6786 12.6786 13.0606 13.0606 13.2280 13.2280 13.5356 13.5356 13.5962 13.5962 13.6754 13.6754 13.7781 13.7781 14.3710 14.3710 14.4312 14.4312 14.5523 14.5523 14.7028 14.7028 14.7433 14.7433 15.5170 15.5170 15.7206 15.7206 15.8509 15.8509 16.6805 16.6805 17.3876 17.3876 18.9846 18.9846 19.7503 19.7503 21.2895 21.2895 21.4398 21.4398 22.6736 22.6736 k = 0.0000 0.4500-0.0000 ( 3806 PWs) bands (ev): 3.6068 3.6068 3.7646 3.7646 3.7970 3.7970 5.7760 5.7760 5.8116 5.8116 5.9230 5.9230 7.9509 7.9509 9.2620 9.2620 9.4519 9.4519 9.5944 9.5944 9.9910 9.9910 10.9324 10.9324 11.0180 11.0180 11.7307 11.7307 11.7532 11.7532 12.1038 12.1038 12.2339 12.2339 12.3193 12.3193 12.4679 12.4679 12.7054 12.7054 13.0312 13.0312 13.2092 13.2092 13.5119 13.5119 13.5706 13.5706 13.6307 13.6307 13.7621 13.7621 14.3713 14.3713 14.4161 14.4161 14.5535 14.5535 14.6925 14.6925 14.7083 14.7083 15.5284 15.5284 15.7266 15.7266 15.8461 15.8461 16.6483 16.6483 17.3632 17.3632 19.0060 19.0060 19.7574 19.7574 21.3142 21.3142 21.4207 21.4207 22.6976 22.6976 k = 0.0000 0.4625-0.0000 ( 3810 PWs) bands (ev): 3.6156 3.6156 3.7655 3.7655 3.7979 3.7979 5.7776 5.7776 5.8124 5.8124 5.9254 5.9254 7.9878 7.9878 9.2912 9.2912 9.4594 9.4594 9.5420 9.5420 9.9981 9.9981 10.9294 10.9294 11.0046 11.0046 11.7303 11.7303 11.7462 11.7462 12.1413 12.1413 12.2479 12.2479 12.3236 12.3236 12.4755 12.4755 12.7394 12.7394 12.9993 12.9993 13.1949 13.1949 13.4913 13.4913 13.5504 13.5504 13.5943 13.5943 13.7507 13.7507 14.3674 14.3674 14.4084 14.4084 14.5574 14.5574 14.6676 14.6676 14.6934 14.6934 15.5372 15.5372 15.7322 15.7322 15.8421 15.8421 16.6229 16.6229 17.3445 17.3445 19.0227 19.0227 19.7636 19.7636 21.3175 21.3175 21.4215 21.4215 22.7165 22.7165 k = 0.0000 0.4750-0.0000 ( 3824 PWs) bands (ev): 3.6220 3.6220 3.7661 3.7661 3.7986 3.7986 5.7787 5.7787 5.8130 5.8130 5.9272 5.9272 8.0160 8.0160 9.3123 9.3123 9.4650 9.4650 9.5031 9.5031 10.0036 10.0036 10.9267 10.9267 10.9944 10.9944 11.7249 11.7249 11.7460 11.7460 12.1727 12.1727 12.2577 12.2577 12.3236 12.3236 12.4797 12.4797 12.7765 12.7765 12.9660 12.9660 13.1850 13.1850 13.4757 13.4757 13.5354 13.5354 13.5676 13.5676 13.7431 13.7431 14.3608 14.3608 14.4066 14.4066 14.5648 14.5648 14.6386 14.6386 14.6885 14.6885 15.5435 15.5435 15.7368 15.7368 15.8390 15.8390 16.6045 16.6045 17.3311 17.3311 19.0347 19.0347 19.7685 19.7685 21.3092 21.3092 21.4324 21.4324 22.7301 22.7301 k = 0.0000 0.4875-0.0000 ( 3824 PWs) bands (ev): 3.6258 3.6258 3.7665 3.7665 3.7990 3.7990 5.7794 5.7794 5.8134 5.8134 5.9283 5.9283 8.0337 8.0337 9.3253 9.3253 9.4640 9.4640 9.4832 9.4832 10.0071 10.0071 10.9248 10.9248 10.9881 10.9881 11.7203 11.7203 11.7470 11.7470 12.1948 12.1948 12.2632 12.2632 12.3213 12.3213 12.4819 12.4819 12.8107 12.8107 12.9349 12.9349 13.1792 13.1792 13.4663 13.4663 13.5252 13.5252 13.5519 13.5519 13.7388 13.7388 14.3555 14.3555 14.4070 14.4070 14.5761 14.5761 14.6136 14.6136 14.6859 14.6859 15.5472 15.5472 15.7399 15.7399 15.8370 15.8370 16.5933 16.5933 17.3232 17.3232 19.0419 19.0419 19.7716 19.7716 21.3013 21.3013 21.4419 21.4419 22.7382 22.7382 k = 0.0000 0.5000-0.0000 ( 3828 PWs) bands (ev): 3.6271 3.6271 3.7666 3.7666 3.7991 3.7991 5.7796 5.7796 5.8135 5.8135 5.9286 5.9286 8.0397 8.0397 9.3298 9.3298 9.4596 9.4596 9.4804 9.4804 10.0083 10.0083 10.9240 10.9240 10.9860 10.9860 11.7186 11.7186 11.7474 11.7474 12.2030 12.2030 12.2649 12.2649 12.3198 12.3198 12.4826 12.4826 12.8276 12.8276 12.9190 12.9190 13.1772 13.1772 13.4632 13.4632 13.5214 13.5214 13.5468 13.5468 13.7375 13.7375 14.3535 14.3535 14.4073 14.4073 14.5889 14.5889 14.5963 14.5963 14.6851 14.6851 15.5485 15.5485 15.7409 15.7409 15.8364 15.8364 16.5896 16.5896 17.3206 17.3206 19.0443 19.0443 19.7727 19.7727 21.2983 21.2983 21.4454 21.4454 22.7410 22.7410 k = 0.0000 0.5000-0.0000 ( 3828 PWs) bands (ev): 3.6271 3.6271 3.7666 3.7666 3.7991 3.7991 5.7796 5.7796 5.8135 5.8135 5.9286 5.9286 8.0397 8.0397 9.3298 9.3298 9.4596 9.4596 9.4804 9.4804 10.0083 10.0083 10.9240 10.9240 10.9860 10.9860 11.7186 11.7186 11.7474 11.7474 12.2030 12.2030 12.2649 12.2649 12.3198 12.3198 12.4826 12.4826 12.8276 12.8276 12.9190 12.9190 13.1772 13.1772 13.4632 13.4632 13.5214 13.5214 13.5468 13.5468 13.7375 13.7375 14.3535 14.3535 14.4073 14.4073 14.5889 14.5889 14.5963 14.5963 14.6851 14.6851 15.5485 15.5485 15.7409 15.7409 15.8364 15.8364 16.5896 16.5896 17.3206 17.3206 19.0443 19.0443 19.7727 19.7727 21.2983 21.2983 21.4454 21.4454 22.7410 22.7410 k = 0.0125 0.5000-0.0000 ( 3820 PWs) bands (ev): 3.6278 3.6278 3.7666 3.7666 3.7990 3.7990 5.7795 5.7795 5.8135 5.8135 5.9284 5.9284 8.0399 8.0399 9.3301 9.3301 9.4444 9.4444 9.4910 9.4910 10.0141 10.0141 10.9247 10.9247 10.9864 10.9864 11.7204 11.7204 11.7482 11.7482 12.1997 12.1997 12.2643 12.2643 12.3182 12.3182 12.4838 12.4838 12.8216 12.8216 12.9189 12.9189 13.1767 13.1767 13.4607 13.4607 13.5239 13.5239 13.5540 13.5540 13.7403 13.7403 14.3544 14.3544 14.4080 14.4080 14.5753 14.5753 14.6066 14.6066 14.6905 14.6905 15.5483 15.5483 15.7342 15.7342 15.8433 15.8433 16.5892 16.5892 17.3206 17.3206 19.0213 19.0213 19.7994 19.7994 21.2922 21.2922 21.4455 21.4455 22.7189 22.7189 k = 0.0250 0.5000-0.0000 ( 3820 PWs) bands (ev): 3.6298 3.6298 3.7665 3.7665 3.7988 3.7988 5.7792 5.7792 5.8135 5.8135 5.9278 5.9278 8.0403 8.0403 9.3310 9.3310 9.4181 9.4181 9.5036 9.5036 10.0313 10.0313 10.9266 10.9266 10.9878 10.9878 11.7259 11.7259 11.7505 11.7505 12.1901 12.1901 12.2623 12.2623 12.3138 12.3138 12.4865 12.4865 12.8053 12.8053 12.9175 12.9175 13.1755 13.1755 13.4564 13.4564 13.5309 13.5309 13.5715 13.5715 13.7495 13.7495 14.3569 14.3569 14.4101 14.4101 14.5563 14.5563 14.6179 14.6179 14.7049 14.7049 15.5477 15.5477 15.7181 15.7181 15.8602 15.8602 16.5879 16.5879 17.3208 17.3208 18.9607 18.9607 19.8713 19.8713 21.2734 21.2734 21.4462 21.4462 22.6580 22.6580 k = 0.0375 0.5000-0.0000 ( 3824 PWs) bands (ev): 3.6331 3.6331 3.7664 3.7664 3.7983 3.7983 5.7786 5.7786 5.8134 5.8134 5.9268 5.9268 8.0411 8.0411 9.3320 9.3320 9.3878 9.3878 9.5130 9.5130 10.0587 10.0587 10.9297 10.9297 10.9900 10.9900 11.7347 11.7347 11.7546 11.7546 12.1745 12.1745 12.2584 12.2584 12.3078 12.3078 12.4897 12.4897 12.7817 12.7817 12.9126 12.9126 13.1739 13.1739 13.4544 13.4544 13.5420 13.5420 13.5925 13.5925 13.7667 13.7667 14.3607 14.3607 14.4136 14.4136 14.5360 14.5360 14.6292 14.6292 14.7249 14.7249 15.5467 15.5467 15.6982 15.6982 15.8816 15.8816 16.5857 16.5857 17.3212 17.3212 18.8780 18.8780 19.9728 19.9728 21.2407 21.2407 21.4482 21.4482 22.5704 22.5704 k = 0.0500 0.5000-0.0000 ( 3822 PWs) bands (ev): 3.6377 3.6377 3.7662 3.7662 3.7977 3.7977 5.7776 5.7776 5.8135 5.8135 5.9255 5.9255 8.0422 8.0422 9.3315 9.3315 9.3562 9.3562 9.5195 9.5195 10.0948 10.0948 10.9338 10.9338 10.9934 10.9934 11.7461 11.7461 11.7610 11.7610 12.1538 12.1538 12.2522 12.2522 12.3013 12.3013 12.4919 12.4919 12.7537 12.7537 12.9034 12.9034 13.1725 13.1725 13.4569 13.4569 13.5564 13.5564 13.6121 13.6121 13.7934 13.7934 14.3655 14.3655 14.4187 14.4187 14.5157 14.5157 14.6420 14.6420 14.7481 14.7481 15.5451 15.5451 15.6773 15.6773 15.9047 15.9047 16.5827 16.5827 17.3216 17.3216 18.7847 18.7847 20.0921 20.0921 21.1931 21.1931 21.4522 21.4522 22.4679 22.4679 k = 0.0625 0.5000-0.0000 ( 3818 PWs) bands (ev): 3.6435 3.6435 3.7659 3.7659 3.7969 3.7969 5.7763 5.7763 5.8136 5.8136 5.9239 5.9239 8.0437 8.0437 9.3146 9.3146 9.3384 9.3384 9.5244 9.5244 10.1382 10.1382 10.9384 10.9384 10.9981 10.9981 11.7581 11.7581 11.7714 11.7714 12.1289 12.1289 12.2432 12.2432 12.2951 12.2951 12.4918 12.4918 12.7232 12.7232 12.8903 12.8903 13.1714 13.1714 13.4641 13.4641 13.5731 13.5731 13.6276 13.6276 13.8302 13.8302 14.3704 14.3704 14.4255 14.4255 14.4967 14.4967 14.6571 14.6571 14.7730 14.7730 15.5427 15.5427 15.6570 15.6570 15.9283 15.9283 16.5789 16.5789 17.3222 17.3222 18.6878 18.6878 20.2219 20.2219 21.1304 21.1304 21.4580 21.4580 22.3596 22.3596 k = 0.0750 0.5000-0.0000 ( 3822 PWs) bands (ev): 3.6506 3.6506 3.7656 3.7656 3.7960 3.7960 5.7744 5.7744 5.8140 5.8140 5.9220 5.9220 8.0454 8.0454 9.2803 9.2803 9.3353 9.3353 9.5294 9.5294 10.1876 10.1876 10.9433 10.9433 11.0043 11.0043 11.7687 11.7687 11.7875 11.7875 12.1009 12.1009 12.2310 12.2310 12.2895 12.2895 12.4885 12.4885 12.6919 12.6919 12.8745 12.8745 13.1709 13.1709 13.4755 13.4755 13.5913 13.5913 13.6392 13.6392 13.8757 13.8757 14.3745 14.3745 14.4332 14.4332 14.4806 14.4806 14.6747 14.6747 14.7988 14.7988 15.5393 15.5393 15.6380 15.6380 15.9517 15.9517 16.5741 16.5741 17.3228 17.3228 18.5911 18.5911 20.3577 20.3577 21.0531 21.0531 21.4652 21.4652 22.2515 22.2515 k = 0.0875 0.5000-0.0000 ( 3814 PWs) bands (ev): 3.6588 3.6588 3.7653 3.7653 3.7949 3.7949 5.7721 5.7721 5.8146 5.8146 5.9199 5.9199 8.0476 8.0476 9.2439 9.2439 9.3313 9.3313 9.5358 9.5358 10.2419 10.2419 10.9480 10.9480 11.0123 11.0123 11.7791 11.7791 11.8078 11.8078 12.0708 12.0708 12.2156 12.2156 12.2843 12.2843 12.4812 12.4812 12.6611 12.6611 12.8572 12.8572 13.1709 13.1709 13.4905 13.4905 13.6102 13.6102 13.6479 13.6479 13.9278 13.9278 14.3766 14.3766 14.4383 14.4383 14.4722 14.4722 14.6950 14.6950 14.8251 14.8251 15.5345 15.5345 15.6210 15.6210 15.9747 15.9747 16.5685 16.5685 17.3236 17.3236 18.4968 18.4968 20.4952 20.4952 20.9635 20.9635 21.4732 21.4732 22.1469 22.1469 k = 0.1000 0.5000-0.0000 ( 3814 PWs) bands (ev): 3.6681 3.6681 3.7649 3.7649 3.7937 3.7937 5.7691 5.7691 5.8155 5.8155 5.9177 5.9177 8.0501 8.0501 9.2072 9.2072 9.3243 9.3243 9.5448 9.5448 10.3002 10.3002 10.9523 10.9523 11.0222 11.0222 11.7904 11.7904 11.8304 11.8304 12.0397 12.0397 12.1972 12.1972 12.2793 12.2793 12.4695 12.4695 12.6318 12.6318 12.8396 12.8396 13.1715 13.1715 13.5080 13.5080 13.6284 13.6284 13.6558 13.6558 13.9842 13.9842 14.3752 14.3752 14.4363 14.4363 14.4779 14.4779 14.7180 14.7180 14.8516 14.8516 15.5282 15.5282 15.6065 15.6065 15.9970 15.9970 16.5621 16.5621 17.3243 17.3243 18.4063 18.4063 20.6250 20.6250 20.8704 20.8704 21.4813 21.4813 22.0474 22.0474 k = 0.1125 0.5000-0.0000 ( 3810 PWs) bands (ev): 3.6783 3.6783 3.7646 3.7646 3.7924 3.7924 5.7654 5.7654 5.8167 5.8167 5.9154 5.9154 8.0529 8.0529 9.1707 9.1707 9.3138 9.3138 9.5571 9.5571 10.3618 10.3618 10.9559 10.9559 11.0340 11.0340 11.8029 11.8029 11.8538 11.8538 12.0087 12.0087 12.1759 12.1759 12.2744 12.2744 12.4532 12.4532 12.6049 12.6049 12.8230 12.8230 13.1724 13.1724 13.5272 13.5272 13.6429 13.6429 13.6661 13.6661 14.0429 14.0429 14.3694 14.3694 14.4328 14.4328 14.4932 14.4932 14.7437 14.7437 14.8781 14.8781 15.5204 15.5204 15.5945 15.5945 16.0185 16.0185 16.5547 16.5547 17.3251 17.3251 18.3205 18.3205 20.6755 20.6755 20.8451 20.8451 21.4890 21.4890 21.9533 21.9533 k = 0.1250 0.5000-0.0000 ( 3806 PWs) bands (ev): 3.6894 3.6894 3.7643 3.7643 3.7910 3.7910 5.7612 5.7612 5.8182 5.8182 5.9131 5.9131 8.0562 8.0562 9.1348 9.1348 9.2999 9.2999 9.5732 9.5732 10.4260 10.4260 10.9587 10.9587 11.0476 11.0476 11.8169 11.8169 11.8755 11.8755 11.9801 11.9801 12.1519 12.1519 12.2695 12.2695 12.4326 12.4326 12.5807 12.5807 12.8080 12.8080 13.1738 13.1738 13.5472 13.5472 13.6515 13.6515 13.6816 13.6816 14.1019 14.1019 14.3605 14.3605 14.4325 14.4325 14.5132 14.5132 14.7718 14.7718 14.9045 14.9045 15.5117 15.5117 15.5847 15.5847 16.0390 16.0390 16.5465 16.5465 17.3260 17.3260 18.2400 18.2400 20.5803 20.5803 20.9534 20.9534 21.4965 21.4965 21.8642 21.8642 k = 0.1375 0.5000-0.0000 ( 3802 PWs) bands (ev): 3.7012 3.7012 3.7643 3.7643 3.7897 3.7897 5.7563 5.7563 5.8200 5.8200 5.9109 5.9109 8.0599 8.0599 9.0995 9.0995 9.2828 9.2828 9.5928 9.5928 10.4924 10.4924 10.9607 10.9607 11.0627 11.0627 11.8323 11.8323 11.8886 11.8886 11.9607 11.9607 12.1257 12.1257 12.2649 12.2649 12.4089 12.4089 12.5591 12.5591 12.7951 12.7951 13.1753 13.1753 13.5671 13.5671 13.6568 13.6568 13.6997 13.6997 14.1578 14.1578 14.3520 14.3520 14.4353 14.4353 14.5367 14.5367 14.8023 14.8023 14.9306 14.9306 15.5026 15.5026 15.5763 15.5763 16.0586 16.0586 16.5373 16.5373 17.3267 17.3267 18.1651 18.1651 20.4524 20.4524 21.0797 21.0797 21.5050 21.5050 21.7792 21.7792 k = 0.1500 0.5000-0.0000 ( 3802 PWs) bands (ev): 3.7131 3.7131 3.7646 3.7646 3.7884 3.7884 5.7509 5.7509 5.8221 5.8221 5.9088 5.9088 8.0640 8.0640 9.0652 9.0652 9.2630 9.2630 9.6158 9.6158 10.5603 10.5603 10.9621 10.9621 11.0791 11.0791 11.8483 11.8483 11.8808 11.8808 11.9624 11.9624 12.0977 12.0977 12.2608 12.2608 12.3832 12.3832 12.5396 12.5396 12.7846 12.7846 13.1770 13.1770 13.5857 13.5857 13.6619 13.6619 13.7182 13.7182 14.2042 14.2042 14.3506 14.3506 14.4404 14.4404 14.5635 14.5635 14.8349 14.8349 14.9563 14.9563 15.4941 15.4941 15.5687 15.5687 16.0770 16.0770 16.5272 16.5272 17.3274 17.3274 18.0962 18.0962 20.3154 20.3154 21.1935 21.1935 21.5193 21.5193 21.6975 21.6975 k = 0.1625 0.5000-0.0000 ( 3802 PWs) bands (ev): 3.7244 3.7244 3.7659 3.7659 3.7874 3.7874 5.7449 5.7449 5.8243 5.8243 5.9068 5.9068 8.0685 8.0685 9.0320 9.0320 9.2410 9.2410 9.6418 9.6418 10.6292 10.6292 10.9629 10.9629 11.0965 11.0965 11.8504 11.8504 11.8726 11.8726 11.9784 11.9784 12.0684 12.0684 12.2575 12.2575 12.3575 12.3575 12.5220 12.5220 12.7763 12.7763 13.1786 13.1786 13.6015 13.6015 13.6688 13.6688 13.7363 13.7363 14.2300 14.2300 14.3666 14.3666 14.4475 14.4475 14.5940 14.5940 14.8693 14.8693 14.9815 14.9815 15.4868 15.4868 15.5612 15.5612 16.0944 16.0944 16.5160 16.5160 17.3279 17.3279 18.0331 18.0331 20.1738 20.1738 21.2747 21.2747 21.5493 21.5493 21.6188 21.6188 k = 0.1750 0.5000-0.0000 ( 3798 PWs) bands (ev): 3.7338 3.7338 3.7686 3.7686 3.7875 3.7875 5.7385 5.7385 5.8267 5.8267 5.9052 5.9052 8.0735 8.0735 8.9998 8.9998 9.2173 9.2173 9.6706 9.6706 10.6980 10.6980 10.9635 10.9635 11.1148 11.1148 11.8239 11.8239 11.8899 11.8899 11.9956 11.9956 12.0390 12.0390 12.2546 12.2546 12.3344 12.3344 12.5060 12.5060 12.7702 12.7702 13.1801 13.1801 13.6127 13.6127 13.6794 13.6794 13.7536 13.7536 14.2326 14.2326 14.4014 14.4014 14.4565 14.4565 14.6290 14.6290 14.9050 14.9050 15.0063 15.0063 15.4811 15.4811 15.5535 15.5535 16.1106 16.1106 16.5038 16.5038 17.3281 17.3281 17.9761 17.9761 20.0300 20.0300 21.3075 21.3075 21.5392 21.5392 21.5997 21.5997 k = 0.1875 0.5000-0.0000 ( 3794 PWs) bands (ev): 3.7399 3.7399 3.7722 3.7722 3.7905 3.7905 5.7317 5.7317 5.8291 5.8291 5.9038 5.9038 8.0790 8.0790 8.9689 8.9689 9.1921 9.1921 9.7018 9.7018 10.7657 10.7657 10.9645 10.9645 11.1336 11.1336 11.7943 11.7943 11.9098 11.9098 11.9989 11.9989 12.0210 12.0210 12.2495 12.2495 12.3186 12.3186 12.4915 12.4915 12.7657 12.7657 13.1814 13.1814 13.6187 13.6187 13.6944 13.6944 13.7699 13.7699 14.2221 14.2221 14.4433 14.4433 14.4676 14.4676 14.6692 14.6692 14.9415 14.9415 15.0307 15.0307 15.4776 15.4776 15.5454 15.5454 16.1256 16.1256 16.4905 16.4905 17.3281 17.3281 17.9249 17.9249 19.8856 19.8856 21.2990 21.2990 21.4643 21.4643 21.6311 21.6311 k = 0.2000 0.5000-0.0000 ( 3798 PWs) bands (ev): 3.7426 3.7426 3.7740 3.7740 3.7992 3.7992 5.7245 5.7245 5.8315 5.8315 5.9028 5.9028 8.0849 8.0849 8.9393 8.9393 9.1660 9.1660 9.7353 9.7353 10.8293 10.8293 10.9677 10.9677 11.1529 11.1529 11.7646 11.7646 11.9284 11.9284 11.9734 11.9734 12.0299 12.0299 12.2378 12.2378 12.3161 12.3161 12.4784 12.4784 12.7626 12.7626 13.1823 13.1823 13.6205 13.6205 13.7127 13.7127 13.7853 13.7853 14.2062 14.2062 14.4805 14.4805 14.4840 14.4840 14.7150 14.7150 14.9778 14.9778 15.0548 15.0548 15.4768 15.4768 15.5368 15.5368 16.1392 16.1392 16.4760 16.4760 17.3276 17.3276 17.8794 17.8794 19.7417 19.7417 21.2624 21.2624 21.3903 21.3903 21.6038 21.6038 k = 0.2125 0.5000-0.0000 ( 3802 PWs) bands (ev): 3.7431 3.7431 3.7738 3.7738 3.8125 3.8125 5.7171 5.7171 5.8338 5.8338 5.9022 5.9022 8.0914 8.0914 8.9109 8.9109 9.1390 9.1390 9.7707 9.7707 10.8818 10.8818 10.9795 10.9795 11.1726 11.1726 11.7352 11.7352 11.9287 11.9287 11.9606 11.9606 12.0415 12.0415 12.2204 12.2204 12.3266 12.3266 12.4670 12.4670 12.7605 12.7605 13.1829 13.1829 13.6194 13.6194 13.7330 13.7330 13.8000 13.8000 14.1879 14.1879 14.4959 14.4959 14.5197 14.5197 14.7657 14.7657 15.0126 15.0126 15.0791 15.0791 15.4791 15.4791 15.5282 15.5282 16.1511 16.1511 16.4605 16.4605 17.3266 17.3266 17.8395 17.8395 19.5994 19.5994 21.2030 21.2030 21.3174 21.3174 21.5210 21.5210 k = 0.2250 0.5000-0.0000 ( 3806 PWs) bands (ev): 3.7424 3.7424 3.7727 3.7727 3.8280 3.8280 5.7095 5.7095 5.8360 5.8360 5.9021 5.9021 8.0983 8.0983 8.8840 8.8840 9.1116 9.1116 9.8079 9.8079 10.9103 10.9103 11.0113 11.0113 11.1928 11.1928 11.7065 11.7065 11.9011 11.9011 11.9708 11.9708 12.0563 12.0563 12.2014 12.2014 12.3455 12.3455 12.4573 12.4573 12.7589 12.7589 13.1830 13.1830 13.6164 13.6164 13.7546 13.7546 13.8142 13.8142 14.1689 14.1689 14.5131 14.5131 14.5503 14.5503 14.8195 14.8195 15.0440 15.0440 15.1041 15.1041 15.4851 15.4851 15.5203 15.5203 16.1610 16.1610 16.4440 16.4440 17.3250 17.3250 17.8048 17.8048 19.4594 19.4594 21.1219 21.1219 21.2440 21.2440 21.4188 21.4188 k = 0.2375 0.5000-0.0000 ( 3804 PWs) bands (ev): 3.7411 3.7411 3.7713 3.7713 3.8448 3.8448 5.7018 5.7018 5.8379 5.8379 5.9025 5.9025 8.1057 8.1057 8.8584 8.8584 9.0838 9.0838 9.8467 9.8467 10.9176 10.9176 11.0586 11.0586 11.2140 11.2140 11.6783 11.6783 11.8695 11.8695 11.9783 11.9783 12.0780 12.0780 12.1837 12.1837 12.3687 12.3687 12.4502 12.4502 12.7577 12.7577 13.1826 13.1826 13.6118 13.6118 13.7767 13.7767 13.8285 13.8285 14.1500 14.1500 14.5321 14.5321 14.5761 14.5761 14.8737 14.8737 15.0706 15.0706 15.1302 15.1302 15.4948 15.4948 15.5148 15.5148 16.1682 16.1682 16.4269 16.4269 17.3225 17.3225 17.7752 17.7752 19.3224 19.3224 21.0193 21.0193 21.1690 21.1690 21.3213 21.3213 k = 0.2500 0.5000-0.0000 ( 3804 PWs) bands (ev): 3.7393 3.7393 3.7698 3.7698 3.8623 3.8623 5.6940 5.6940 5.8395 5.8395 5.9035 5.9035 8.1137 8.1137 8.8342 8.8342 9.0560 9.0560 9.8869 9.8869 10.9163 10.9163 11.1064 11.1064 11.2370 11.2370 11.6507 11.6507 11.8378 11.8378 11.9809 11.9809 12.1070 12.1070 12.1686 12.1686 12.3915 12.3915 12.4480 12.4480 12.7565 12.7565 13.1818 13.1818 13.6059 13.6059 13.7990 13.7990 13.8436 13.8436 14.1318 14.1318 14.5526 14.5526 14.5978 14.5978 14.9254 14.9254 15.0919 15.0919 15.1564 15.1564 15.5041 15.5041 15.5185 15.5185 16.1717 16.1717 16.4099 16.4099 17.3191 17.3191 17.7503 17.7503 19.1890 19.1890 20.8995 20.8995 21.0936 21.0936 21.2352 21.2352 k = 0.2625 0.5000-0.0000 ( 3804 PWs) bands (ev): 3.7371 3.7371 3.7683 3.7683 3.8801 3.8801 5.6863 5.6863 5.8408 5.8408 5.9049 5.9049 8.1221 8.1221 8.8114 8.8114 9.0281 9.0281 9.9283 9.9283 10.9115 10.9115 11.1468 11.1468 11.2631 11.2631 11.6235 11.6235 11.8069 11.8069 11.9808 11.9808 12.1412 12.1412 12.1578 12.1578 12.4064 12.4064 12.4572 12.4572 12.7552 12.7552 13.1805 13.1805 13.5990 13.5990 13.8206 13.8206 13.8607 13.8607 14.1149 14.1149 14.5741 14.5741 14.6159 14.6159 14.9710 14.9710 15.1091 15.1091 15.1807 15.1807 15.5095 15.5095 15.5376 15.5376 16.1701 16.1701 16.3941 16.3941 17.3146 17.3146 17.7297 17.7297 19.0598 19.0598 20.7699 20.7699 21.0190 21.0190 21.1580 21.1580 k = 0.2750 0.5000-0.0000 ( 3800 PWs) bands (ev): 3.7348 3.7348 3.7668 3.7668 3.8981 3.8981 5.6786 5.6786 5.8418 5.8418 5.9069 5.9069 8.1310 8.1310 8.7900 8.7900 9.0005 9.0005 9.9707 9.9707 10.9050 10.9050 11.1764 11.1764 11.2926 11.2926 11.5964 11.5964 11.7773 11.7773 11.9802 11.9802 12.1483 12.1483 12.1829 12.1829 12.4108 12.4108 12.4797 12.4797 12.7538 12.7538 13.1787 13.1787 13.5910 13.5910 13.8406 13.8406 13.8810 13.8810 14.0997 14.0997 14.5956 14.5956 14.6312 14.6312 15.0063 15.0063 15.1239 15.1239 15.2014 15.2014 15.5209 15.5209 15.5652 15.5652 16.1618 16.1618 16.3810 16.3810 17.3090 17.3090 17.7131 17.7131 18.9351 18.9351 20.6372 20.6372 20.9458 20.9458 21.0863 21.0863 k = 0.2875 0.5000-0.0000 ( 3800 PWs) bands (ev): 3.7323 3.7323 3.7653 3.7653 3.9160 3.9160 5.6711 5.6711 5.8425 5.8425 5.9094 5.9094 8.1405 8.1405 8.7700 8.7700 8.9732 8.9732 10.0140 10.0140 10.8972 10.8972 11.1957 11.1957 11.3230 11.3230 11.5692 11.5692 11.7497 11.7497 11.9801 11.9801 12.1453 12.1453 12.2260 12.2260 12.4124 12.4124 12.5081 12.5081 12.7521 12.7521 13.1765 13.1765 13.5823 13.5823 13.8587 13.8587 13.9051 13.9051 14.0867 14.0867 14.6145 14.6145 14.6459 14.6459 15.0281 15.0281 15.1375 15.1375 15.2182 15.2182 15.5424 15.5424 15.5987 15.5987 16.1458 16.1458 16.3716 16.3716 17.3021 17.3021 17.6999 17.6999 18.8154 18.8154 20.5059 20.5059 20.8745 20.8745 21.0186 21.0186 k = 0.3000 0.5000-0.0000 ( 3798 PWs) bands (ev): 3.7297 3.7297 3.7639 3.7639 3.9338 3.9338 5.6638 5.6638 5.8428 5.8428 5.9122 5.9122 8.1503 8.1503 8.7513 8.7513 8.9464 8.9464 10.0580 10.0580 10.8888 10.8888 11.2066 11.2066 11.3513 11.3513 11.5416 11.5416 11.7248 11.7248 11.9806 11.9806 12.1463 12.1463 12.2717 12.2717 12.4166 12.4166 12.5379 12.5379 12.7504 12.7504 13.1741 13.1741 13.5730 13.5730 13.8758 13.8758 13.9328 13.9328 14.0761 14.0761 14.6262 14.6262 14.6636 14.6636 15.0360 15.0360 15.1485 15.1485 15.2323 15.2323 15.5742 15.5742 15.6371 15.6371 16.1217 16.1217 16.3665 16.3665 17.2939 17.2939 17.6897 17.6897 18.7011 18.7011 20.3789 20.3789 20.8050 20.8050 20.9541 20.9541 k = 0.3125 0.5000-0.0000 ( 3798 PWs) bands (ev): 3.7270 3.7270 3.7625 3.7625 3.9512 3.9512 5.6567 5.6567 5.8429 5.8429 5.9154 5.9154 8.1606 8.1606 8.7339 8.7339 8.9201 8.9201 10.1026 10.1026 10.8798 10.8798 11.2109 11.2109 11.3752 11.3752 11.5136 11.5136 11.7030 11.7030 11.9816 11.9816 12.1506 12.1506 12.3170 12.3170 12.4278 12.4278 12.5677 12.5677 12.7486 12.7486 13.1716 13.1716 13.5634 13.5634 13.8926 13.8926 13.9634 13.9634 14.0680 14.0680 14.6287 14.6287 14.6856 14.6856 15.0333 15.0333 15.1539 15.1539 15.2459 15.2459 15.6144 15.6144 15.6792 15.6792 16.0911 16.0911 16.3651 16.3651 17.2844 17.2844 17.6820 17.6820 18.5926 18.5926 20.2577 20.2577 20.7378 20.7378 20.8929 20.8929 k = 0.3250 0.5000-0.0000 ( 3794 PWs) bands (ev): 3.7243 3.7243 3.7613 3.7613 3.9682 3.9682 5.6499 5.6499 5.8428 5.8428 5.9188 5.9188 8.1713 8.1713 8.7178 8.7178 8.8946 8.8946 10.1476 10.1476 10.8706 10.8706 11.2097 11.2097 11.3934 11.3934 11.4857 11.4857 11.6847 11.6847 11.9828 11.9828 12.1566 12.1566 12.3570 12.3570 12.4517 12.4517 12.5967 12.5967 12.7473 12.7473 13.1691 13.1691 13.5537 13.5537 13.9099 13.9099 13.9965 13.9965 14.0625 14.0625 14.6230 14.6230 14.7097 14.7097 15.0241 15.0241 15.1522 15.1522 15.2599 15.2599 15.6579 15.6579 15.7245 15.7245 16.0568 16.0568 16.3665 16.3665 17.2735 17.2735 17.6761 17.6761 18.4902 18.4902 20.1434 20.1434 20.6729 20.6729 20.8352 20.8352 k = 0.3375 0.5000-0.0000 ( 3806 PWs) bands (ev): 3.7216 3.7216 3.7600 3.7600 3.9847 3.9847 5.6434 5.6434 5.8425 5.8425 5.9223 5.9223 8.1823 8.1823 8.7029 8.7029 8.8699 8.8699 10.1927 10.1927 10.8613 10.8613 11.2036 11.2036 11.4036 11.4036 11.4607 11.4607 11.6697 11.6697 11.9841 11.9841 12.1623 12.1623 12.3886 12.3886 12.4914 12.4914 12.6246 12.6246 12.7471 12.7471 13.1668 13.1668 13.5441 13.5441 13.9280 13.9280 14.0318 14.0318 14.0598 14.0598 14.6099 14.6099 14.7344 14.7344 15.0115 15.0115 15.1442 15.1442 15.2738 15.2738 15.6963 15.6963 15.7733 15.7733 16.0244 16.0244 16.3696 16.3696 17.2613 17.2613 17.6715 17.6715 18.3944 18.3944 20.0369 20.0369 20.6106 20.6106 20.7812 20.7812 k = 0.3500 0.5000-0.0000 ( 3810 PWs) bands (ev): 3.7190 3.7190 3.7588 3.7588 4.0004 4.0004 5.6373 5.6373 5.8421 5.8421 5.9259 5.9259 8.1936 8.1936 8.6890 8.6890 8.8462 8.8462 10.2380 10.2380 10.8522 10.8522 11.1931 11.1931 11.3977 11.3977 11.4475 11.4475 11.6579 11.6579 11.9856 11.9856 12.1658 12.1658 12.4159 12.4159 12.5410 12.5410 12.6515 12.6515 12.7492 12.7492 13.1650 13.1650 13.5349 13.5349 13.9466 13.9466 14.0600 14.0600 14.0694 14.0694 14.5896 14.5896 14.7590 14.7590 14.9978 14.9978 15.1313 15.1313 15.2868 15.2868 15.7170 15.7170 15.8268 15.8268 16.0033 16.0033 16.3738 16.3738 17.2478 17.2478 17.6674 17.6674 18.3054 18.3054 19.9384 19.9384 20.5513 20.5513 20.7311 20.7311 k = 0.3625 0.5000-0.0000 ( 3822 PWs) bands (ev): 3.7165 3.7165 3.7578 3.7578 4.0153 4.0153 5.6316 5.6316 5.8416 5.8416 5.9295 5.9295 8.2051 8.2051 8.6762 8.6762 8.8237 8.8237 10.2831 10.2831 10.8433 10.8433 11.1787 11.1787 11.3747 11.3747 11.4485 11.4485 11.6488 11.6488 11.9874 11.9874 12.1662 12.1662 12.4435 12.4435 12.5910 12.5910 12.6785 12.6785 12.7560 12.7560 13.1637 13.1637 13.5263 13.5263 13.9648 13.9648 14.0645 14.0645 14.1089 14.1089 14.5627 14.5627 14.7829 14.7829 14.9843 14.9843 15.1148 15.1148 15.2982 15.2982 15.7092 15.7092 15.8838 15.8838 16.0041 16.0041 16.3786 16.3786 17.2330 17.2330 17.6633 17.6633 18.2239 18.2239 19.8483 19.8483 20.4951 20.4951 20.6850 20.6850 k = 0.3750 0.5000-0.0000 ( 3814 PWs) bands (ev): 3.7141 3.7141 3.7568 3.7568 4.0293 4.0293 5.6263 5.6263 5.8411 5.8411 5.9329 5.9329 8.2167 8.2167 8.6642 8.6642 8.8025 8.8025 10.3280 10.3280 10.8350 10.8350 11.1609 11.1609 11.3460 11.3460 11.4535 11.4535 11.6419 11.6419 11.9896 11.9896 12.1633 12.1633 12.4726 12.4726 12.6306 12.6306 12.7078 12.7078 12.7724 12.7724 13.1633 13.1633 13.5184 13.5184 13.9799 13.9799 14.0755 14.0755 14.1503 14.1503 14.5306 14.5306 14.8058 14.8058 14.9710 14.9710 15.0957 15.0957 15.3075 15.3075 15.6734 15.6734 15.9411 15.9411 16.0282 16.0282 16.3835 16.3835 17.2168 17.2168 17.6584 17.6584 18.1502 18.1502 19.7667 19.7667 20.4425 20.4425 20.6431 20.6431 k = 0.3875 0.5000-0.0000 ( 3812 PWs) bands (ev): 3.7118 3.7118 3.7558 3.7558 4.0423 4.0423 5.6215 5.6215 5.8406 5.8406 5.9363 5.9363 8.2283 8.2283 8.6530 8.6530 8.7828 8.7828 10.3724 10.3724 10.8274 10.8274 11.1400 11.1400 11.3167 11.3167 11.4588 11.4588 11.6368 11.6368 11.9924 11.9924 12.1578 12.1578 12.5026 12.5026 12.6535 12.6535 12.7363 12.7363 12.8060 12.8060 13.1638 13.1638 13.5114 13.5114 13.9882 13.9882 14.0962 14.0962 14.1934 14.1934 14.4952 14.4952 14.8273 14.8273 14.9572 14.9572 15.0752 15.0752 15.3135 15.3135 15.6199 15.6199 15.9953 15.9953 16.0689 16.0689 16.3884 16.3884 17.1996 17.1996 17.6520 17.6520 18.0850 18.0850 19.6936 19.6936 20.3936 20.3936 20.6053 20.6053 k = 0.4000 0.5000-0.0000 ( 3816 PWs) bands (ev): 3.7097 3.7097 3.7550 3.7550 4.0542 4.0542 5.6171 5.6171 5.8400 5.8400 5.9394 5.9394 8.2398 8.2398 8.6424 8.6424 8.7649 8.7649 10.4160 10.4160 10.8208 10.8208 11.1163 11.1163 11.2886 11.2886 11.4635 11.4635 11.6329 11.6329 11.9958 11.9958 12.1502 12.1502 12.5321 12.5321 12.6643 12.6643 12.7588 12.7588 12.8560 12.8560 13.1653 13.1653 13.5054 13.5054 13.9880 13.9880 14.1277 14.1277 14.2379 14.2379 14.4588 14.4588 14.8469 14.8469 14.9415 14.9415 15.0549 15.0549 15.3144 15.3144 15.5588 15.5588 16.0442 16.0442 16.1190 16.1190 16.3933 16.3933 17.1813 17.1813 17.6434 17.6434 18.0289 18.0289 19.6290 19.6290 20.3488 20.3488 20.5716 20.5716 k = 0.4125 0.5000-0.0000 ( 3820 PWs) bands (ev): 3.7078 3.7078 3.7542 3.7542 4.0650 4.0650 5.6133 5.6133 5.8395 5.8395 5.9423 5.9423 8.2509 8.2509 8.6324 8.6324 8.7489 8.7489 10.4585 10.4585 10.8154 10.8154 11.0899 11.0899 11.2626 11.2626 11.4676 11.4676 11.6301 11.6301 11.9998 11.9998 12.1412 12.1412 12.5596 12.5596 12.6694 12.6694 12.7773 12.7773 12.9129 12.9129 13.1678 13.1678 13.5002 13.5002 13.9797 13.9797 14.1689 14.1689 14.2835 14.2835 14.4244 14.4244 14.8639 14.8639 14.9221 14.9221 15.0362 15.0362 15.3057 15.3057 15.4996 15.4996 16.0879 16.0879 16.1731 16.1731 16.3981 16.3981 17.1622 17.1622 17.6322 17.6322 17.9822 17.9822 19.5726 19.5726 20.3085 20.3085 20.5417 20.5417 k = 0.4250 0.5000-0.0000 ( 3830 PWs) bands (ev): 3.7061 3.7061 3.7536 3.7536 4.0744 4.0744 5.6099 5.6099 5.8390 5.8390 5.9448 5.9448 8.2615 8.2615 8.6230 8.6230 8.7350 8.7350 10.4995 10.4995 10.8116 10.8116 11.0611 11.0611 11.2395 11.2395 11.4712 11.4712 11.6280 11.6280 12.0043 12.0043 12.1313 12.1313 12.5837 12.5837 12.6724 12.6724 12.7935 12.7935 12.9708 12.9708 13.1713 13.1713 13.4960 13.4960 13.9639 13.9639 14.2181 14.2181 14.3283 14.3283 14.3958 14.3958 14.8763 14.8763 14.8986 14.8986 15.0205 15.0205 15.2796 15.2796 15.4537 15.4537 16.1267 16.1267 16.2268 16.2268 16.4028 16.4028 17.1427 17.1427 17.6184 17.6184 17.9450 17.9450 19.5243 19.5243 20.2728 20.2728 20.5153 20.5153 k = 0.4375 0.5000-0.0000 ( 3824 PWs) bands (ev): 3.7046 3.7046 3.7530 3.7530 4.0825 4.0825 5.6070 5.6070 5.8386 5.8386 5.9471 5.9471 8.2713 8.2713 8.6142 8.6142 8.7234 8.7234 10.5383 10.5383 10.8099 10.8099 11.0304 11.0304 11.2198 11.2198 11.4742 11.4742 11.6265 11.6265 12.0094 12.0094 12.1211 12.1211 12.6031 12.6031 12.6752 12.6752 12.8074 12.8074 13.0268 13.0268 13.1753 13.1753 13.4926 13.4926 13.9419 13.9419 14.2737 14.2737 14.3534 14.3534 14.3937 14.3937 14.8653 14.8653 14.8873 14.8873 15.0086 15.0086 15.2329 15.2329 15.4280 15.4280 16.1605 16.1605 16.2772 16.2772 16.4078 16.4078 17.1235 17.1235 17.6028 17.6028 17.9167 17.9167 19.4839 19.4839 20.2422 20.2422 20.4920 20.4920 k = 0.4500 0.5000-0.0000 ( 3832 PWs) bands (ev): 3.7034 3.7034 3.7526 3.7526 4.0892 4.0892 5.6046 5.6046 5.8382 5.8382 5.9489 5.9489 8.2800 8.2800 8.6063 8.6063 8.7139 8.7139 10.5737 10.5737 10.8110 10.8110 10.9983 10.9983 11.2037 11.2037 11.4767 11.4767 11.6254 11.6254 12.0148 12.0148 12.1110 12.1110 12.6172 12.6172 12.6791 12.6791 12.8190 12.8190 13.0787 13.0787 13.1795 13.1795 13.4900 13.4900 13.9154 13.9154 14.3292 14.3292 14.3459 14.3459 14.4362 14.4362 14.8329 14.8329 14.8830 14.8830 15.0013 15.0013 15.1756 15.1756 15.4169 15.4169 16.1890 16.1890 16.3217 16.3217 16.4132 16.4132 17.1052 17.1052 17.5866 17.5866 17.8961 17.8961 19.4511 19.4511 20.2167 20.2167 20.4712 20.4712 k = 0.4625 0.5000-0.0000 ( 3828 PWs) bands (ev): 3.7024 3.7024 3.7522 3.7522 4.0945 4.0945 5.6028 5.6028 5.8379 5.8379 5.9504 5.9504 8.2873 8.2873 8.5996 8.5996 8.7067 8.7067 10.6044 10.6044 10.8161 10.8161 10.9656 10.9656 11.1911 11.1911 11.4786 11.4786 11.6247 11.6247 12.0203 12.0203 12.1016 12.1016 12.6260 12.6260 12.6841 12.6841 12.8280 12.8280 13.1242 13.1242 13.1835 13.1835 13.4880 13.4880 13.8877 13.8877 14.3259 14.3259 14.3981 14.3981 14.4869 14.4869 14.7977 14.7977 14.8622 14.8622 15.0001 15.0001 15.1214 15.1214 15.4128 15.4128 16.2117 16.2117 16.3573 16.3573 16.4197 16.4197 17.0889 17.0889 17.5716 17.5716 17.8819 17.8819 19.4259 19.4259 20.1967 20.1967 20.4522 20.4522 k = 0.4750 0.5000-0.0000 ( 3828 PWs) bands (ev): 3.7017 3.7017 3.7519 3.7519 4.0983 4.0983 5.6015 5.6015 5.8377 5.8377 5.9515 5.9515 8.2928 8.2928 8.5945 8.5945 8.7017 8.7017 10.6282 10.6282 10.8262 10.8262 10.9337 10.9337 11.1822 11.1822 11.4800 11.4800 11.6242 11.6242 12.0254 12.0254 12.0936 12.0936 12.6308 12.6308 12.6889 12.6889 12.8344 12.8344 13.1604 13.1604 13.1867 13.1867 13.4867 13.4867 13.8629 13.8629 14.3173 14.3173 14.4549 14.4549 14.5421 14.5421 14.7635 14.7635 14.8215 14.8215 15.0051 15.0051 15.0793 15.0793 15.4114 15.4114 16.2281 16.2281 16.3814 16.3814 16.4280 16.4280 17.0760 17.0760 17.5595 17.5595 17.8729 17.8729 19.4079 19.4079 20.1822 20.1822 20.4355 20.4355 k = 0.4875 0.5000-0.0000 ( 3816 PWs) bands (ev): 3.7013 3.7013 3.7518 3.7518 4.1006 4.1006 5.6007 5.6007 5.8376 5.8376 5.9522 5.9522 8.2962 8.2962 8.5912 8.5912 8.6987 8.6987 10.6433 10.6433 10.8409 10.8409 10.9049 10.9049 11.1769 11.1769 11.4809 11.4809 11.6239 11.6239 12.0293 12.0293 12.0880 12.0880 12.6331 12.6331 12.6924 12.6924 12.8382 12.8382 13.1840 13.1840 13.1889 13.1889 13.4859 13.4859 13.8454 13.8454 14.3124 14.3124 14.4972 14.4972 14.6005 14.6005 14.7357 14.7357 14.7675 14.7675 15.0147 15.0147 15.0503 15.0503 15.4110 15.4110 16.2380 16.2380 16.3935 16.3935 16.4363 16.4363 17.0675 17.0675 17.5516 17.5516 17.8678 17.8678 19.3972 19.3972 20.1735 20.1735 20.4237 20.4237 k = 0.5000 0.5000-0.0000 ( 3800 PWs) bands (ev): 3.7012 3.7012 3.7518 3.7518 4.1013 4.1013 5.6004 5.6004 5.8376 5.8376 5.9524 5.9524 8.2974 8.2974 8.5901 8.5901 8.6977 8.6977 10.6485 10.6485 10.8519 10.8519 10.8892 10.8892 11.1751 11.1751 11.4811 11.4811 11.6238 11.6238 12.0307 12.0307 12.0859 12.0859 12.6337 12.6337 12.6937 12.6937 12.8395 12.8395 13.1893 13.1893 13.1927 13.1927 13.4856 13.4856 13.8391 13.8391 14.3108 14.3108 14.5134 14.5134 14.6381 14.6381 14.7241 14.7241 14.7309 14.7309 15.0253 15.0253 15.0340 15.0340 15.4109 15.4109 16.2413 16.2413 16.3969 16.3969 16.4399 16.4399 17.0645 17.0645 17.5489 17.5489 17.8662 17.8662 19.3937 19.3937 20.1706 20.1706 20.4195 20.4195 k = 0.5000 0.5000-0.0000 ( 3800 PWs) bands (ev): 3.7012 3.7012 3.7518 3.7518 4.1013 4.1013 5.6004 5.6004 5.8376 5.8376 5.9524 5.9524 8.2974 8.2974 8.5901 8.5901 8.6977 8.6977 10.6485 10.6485 10.8519 10.8519 10.8892 10.8892 11.1751 11.1751 11.4811 11.4811 11.6238 11.6238 12.0307 12.0307 12.0859 12.0859 12.6337 12.6337 12.6937 12.6937 12.8395 12.8395 13.1893 13.1893 13.1927 13.1927 13.4856 13.4856 13.8391 13.8391 14.3108 14.3108 14.5134 14.5134 14.6381 14.6381 14.7241 14.7241 14.7309 14.7309 15.0253 15.0253 15.0340 15.0340 15.4109 15.4109 16.2413 16.2413 16.3969 16.3969 16.4399 16.4399 17.0645 17.0645 17.5489 17.5489 17.8662 17.8662 19.3937 19.3937 20.1706 20.1706 20.4195 20.4195 k = 0.4912 0.4912-0.0000 ( 3816 PWs) bands (ev): 3.7013 3.7013 3.7518 3.7518 4.1006 4.1006 5.6007 5.6007 5.8376 5.8376 5.9522 5.9522 8.2963 8.2963 8.5912 8.5912 8.6987 8.6987 10.6433 10.6433 10.8413 10.8413 10.9046 10.9046 11.1768 11.1768 11.4809 11.4809 11.6239 11.6239 12.0293 12.0293 12.0880 12.0880 12.6331 12.6331 12.6925 12.6925 12.8382 12.8382 13.1849 13.1849 13.1882 13.1882 13.4859 13.4859 13.8454 13.8454 14.3123 14.3123 14.4970 14.4970 14.6028 14.6028 14.7280 14.7280 14.7732 14.7732 15.0154 15.0154 15.0494 15.0494 15.4110 15.4110 16.2380 16.2380 16.3934 16.3934 16.4365 16.4365 17.0675 17.0675 17.5516 17.5516 17.8678 17.8678 19.3972 19.3972 20.1735 20.1735 20.4235 20.4235 k = 0.4825 0.4825-0.0000 ( 3822 PWs) bands (ev): 3.7017 3.7017 3.7519 3.7519 4.0983 4.0983 5.6014 5.6014 5.8377 5.8377 5.9515 5.9515 8.2928 8.2928 8.5945 8.5945 8.7017 8.7017 10.6274 10.6274 10.8289 10.8289 10.9319 10.9319 11.1820 11.1820 11.4799 11.4799 11.6243 11.6243 12.0254 12.0254 12.0935 12.0935 12.6307 12.6307 12.6892 12.6892 12.8344 12.8344 13.1628 13.1628 13.1849 13.1849 13.4866 13.4866 13.8628 13.8628 14.3171 14.3171 14.4531 14.4531 14.5520 14.5520 14.7346 14.7346 14.8438 14.8438 15.0106 15.0106 15.0724 15.0724 15.4113 15.4113 16.2282 16.2282 16.3795 16.3795 16.4304 16.4304 17.0759 17.0759 17.5593 17.5593 17.8727 17.8727 19.4075 19.4075 20.1822 20.1822 20.4328 20.4328 k = 0.4737 0.4737-0.0000 ( 3826 PWs) bands (ev): 3.7024 3.7024 3.7522 3.7522 4.0946 4.0946 5.6027 5.6027 5.8379 5.8379 5.9504 5.9504 8.2869 8.2869 8.5998 8.5998 8.7069 8.7069 10.6005 10.6005 10.8250 10.8250 10.9610 10.9610 11.1906 11.1906 11.4782 11.4782 11.6252 11.6252 12.0202 12.0202 12.1015 12.1015 12.6253 12.6253 12.6853 12.6853 12.8277 12.8277 13.1294 13.1294 13.1795 13.1795 13.4878 13.4878 13.8882 13.8882 14.3250 14.3250 14.3948 14.3948 14.5034 14.5034 14.7411 14.7411 14.9049 14.9049 15.0251 15.0251 15.0982 15.0982 15.4122 15.4122 16.2118 16.2118 16.3509 16.3509 16.4277 16.4277 17.0891 17.0891 17.5713 17.5713 17.8814 17.8814 19.4244 19.4244 20.1972 20.1972 20.4416 20.4416 k = 0.4649 0.4649-0.0000 ( 3822 PWs) bands (ev): 3.7033 3.7033 3.7526 3.7526 4.0893 4.0893 5.6045 5.6045 5.8382 5.8382 5.9489 5.9489 8.2786 8.2786 8.6070 8.6070 8.7146 8.7146 10.5641 10.5641 10.8305 10.8305 10.9895 10.9895 11.2025 11.2025 11.4753 11.4753 11.6270 11.6270 12.0141 12.0141 12.1108 12.1108 12.6151 12.6151 12.6826 12.6826 12.8177 12.8177 13.0883 13.0883 13.1723 13.1723 13.4894 13.4894 13.9177 13.9177 14.3314 14.3314 14.3380 14.3380 14.4551 14.4551 14.7455 14.7455 14.9326 14.9326 15.0768 15.0768 15.1254 15.1254 15.4147 15.4147 16.1889 16.1889 16.3097 16.3097 16.4289 16.4289 17.1063 17.1063 17.5862 17.5862 17.8947 17.8947 19.4472 19.4472 20.2189 20.2189 20.4474 20.4474 k = 0.4561 0.4561-0.0000 ( 3818 PWs) bands (ev): 3.7044 3.7044 3.7531 3.7531 4.0825 4.0825 5.6068 5.6068 5.8386 5.8386 5.9470 5.9470 8.2678 8.2678 8.6158 8.6158 8.7251 8.7251 10.5202 10.5202 10.8442 10.8442 11.0166 11.0166 11.2172 11.2172 11.4711 11.4711 11.6301 11.6301 12.0076 12.0076 12.1208 12.1208 12.5994 12.5994 12.6820 12.6820 12.8039 12.8039 13.0427 13.0427 13.1636 13.1636 13.4914 13.4914 13.9478 13.9478 14.2741 14.2741 14.3504 14.3504 14.4068 14.4068 14.7474 14.7474 14.9369 14.9369 15.1417 15.1417 15.1620 15.1620 15.4206 15.4206 16.1597 16.1597 16.2600 16.2600 16.4329 16.4329 17.1268 17.1268 17.6026 17.6026 17.9131 17.9131 19.4754 19.4754 20.2479 20.2479 20.4510 20.4510 k = 0.4474 0.4474-0.0000 ( 3836 PWs) bands (ev): 3.7057 3.7057 3.7537 3.7537 4.0742 4.0742 5.6095 5.6095 5.8390 5.8390 5.9447 5.9447 8.2546 8.2546 8.6259 8.6259 8.7387 8.7387 10.4709 10.4709 10.8647 10.8647 11.0417 11.0417 11.2346 11.2346 11.4653 11.4653 11.6348 11.6348 12.0006 12.0006 12.1310 12.1310 12.5784 12.5784 12.6836 12.6836 12.7853 12.7853 12.9955 12.9955 13.1540 13.1540 13.4940 13.4940 13.9753 13.9753 14.2206 14.2206 14.3591 14.3591 14.3670 14.3670 14.7467 14.7467 14.9339 14.9339 15.1702 15.1702 15.2342 15.2342 15.4344 15.4344 16.1248 16.1248 16.2054 16.2054 16.4390 16.4390 17.1499 17.1499 17.6188 17.6188 17.9373 17.9373 19.5084 19.5084 20.2849 20.2849 20.4535 20.4535 k = 0.4386 0.4386-0.0000 ( 3838 PWs) bands (ev): 3.7072 3.7072 3.7544 3.7544 4.0644 4.0644 5.6126 5.6126 5.8395 5.8395 5.9420 5.9420 8.2389 8.2389 8.6373 8.6373 8.7556 8.7556 10.4174 10.4174 10.8909 10.8909 11.0646 11.0646 11.2542 11.2542 11.4579 11.4579 11.6414 11.6414 11.9929 11.9929 12.1408 12.1408 12.5534 12.5534 12.6863 12.6863 12.7611 12.7611 12.9490 12.9490 13.1437 13.1437 13.4972 13.4972 13.9974 13.9974 14.1746 14.1746 14.3143 14.3143 14.3842 14.3842 14.7439 14.7439 14.9284 14.9284 15.1902 15.1902 15.2972 15.2972 15.4659 15.4659 16.0849 16.0849 16.1493 16.1493 16.4471 16.4471 17.1754 17.1754 17.6338 17.6338 17.9672 17.9672 19.5456 19.5456 20.3305 20.3305 20.4555 20.4555 k = 0.4298 0.4298-0.0000 ( 3830 PWs) bands (ev): 3.7087 3.7087 3.7553 3.7553 4.0532 4.0532 5.6161 5.6161 5.8401 5.8401 5.9389 5.9389 8.2208 8.2208 8.6497 8.6497 8.7760 8.7760 10.3605 10.3605 10.9221 10.9221 11.0853 11.0853 11.2754 11.2754 11.4490 11.4490 11.6499 11.6499 11.9843 11.9843 12.1499 12.1499 12.5259 12.5259 12.6892 12.6892 12.7306 12.7306 12.9055 12.9055 13.1332 13.1332 13.5013 13.5013 14.0109 14.0109 14.1394 14.1394 14.2727 14.2727 14.4012 14.4012 14.7391 14.7391 14.9217 14.9217 15.2056 15.2056 15.3349 15.3349 15.5231 15.5231 16.0411 16.0411 16.0953 16.0953 16.4575 16.4575 17.2034 17.2034 17.6468 17.6468 18.0020 18.0020 19.5869 19.5869 20.3854 20.3854 20.4573 20.4573 k = 0.4211 0.4211-0.0000 ( 3826 PWs) bands (ev): 3.7103 3.7103 3.7563 3.7563 4.0404 4.0404 5.6200 5.6200 5.8407 5.8407 5.9354 5.9354 8.2003 8.2003 8.6632 8.6632 8.7997 8.7997 10.3008 10.3008 10.9578 10.9578 11.1035 11.1035 11.2977 11.2977 11.4389 11.4389 11.6603 11.6603 11.9745 11.9745 12.1576 12.1576 12.4972 12.4972 12.6884 12.6884 12.6961 12.6961 12.8666 12.8666 13.1230 13.1230 13.5063 13.5063 14.0116 14.0116 14.1189 14.1189 14.2357 14.2357 14.4157 14.4157 14.7325 14.7325 14.9143 14.9143 15.2164 15.2164 15.3530 15.3530 15.5963 15.5963 15.9949 15.9949 16.0475 16.0475 16.4703 16.4703 17.2339 17.2339 17.6578 17.6578 18.0403 18.0403 19.6324 19.6324 20.4495 20.4495 20.4591 20.4591 k = 0.4123 0.4123-0.0000 ( 3830 PWs) bands (ev): 3.7118 3.7118 3.7575 3.7575 4.0261 4.0261 5.6242 5.6242 5.8414 5.8414 5.9315 5.9315 8.1775 8.1775 8.6776 8.6776 8.8268 8.8268 10.2386 10.2386 10.9974 10.9974 11.1192 11.1192 11.3207 11.3207 11.4282 11.4282 11.6722 11.6722 11.9633 11.9633 12.1636 12.1636 12.4686 12.4686 12.6491 12.6491 12.6914 12.6914 12.8339 12.8339 13.1133 13.1133 13.5122 13.5122 14.0000 14.0000 14.1119 14.1119 14.2050 14.2050 14.4256 14.4256 14.7241 14.7241 14.9065 14.9065 15.2229 15.2229 15.3617 15.3617 15.6679 15.6679 15.9497 15.9497 16.0117 16.0117 16.4865 16.4865 17.2672 17.2672 17.6667 17.6667 18.0802 18.0802 19.6823 19.6823 20.4607 20.4607 20.5234 20.5234 k = 0.4035 0.4035-0.0000 ( 3820 PWs) bands (ev): 3.7133 3.7133 3.7589 3.7589 4.0105 4.0105 5.6286 5.6286 5.8421 5.8421 5.9273 5.9273 8.1526 8.1526 8.6932 8.6932 8.8569 8.8569 10.1743 10.1743 11.0403 11.0403 11.1321 11.1321 11.3439 11.3439 11.4175 11.4175 11.6851 11.6851 11.9507 11.9507 12.1674 12.1674 12.4414 12.4414 12.6016 12.6016 12.6854 12.6854 12.8090 12.8090 13.1043 13.1043 13.5191 13.5191 13.9831 13.9831 14.1096 14.1096 14.1831 14.1831 14.4292 14.4292 14.7139 14.7139 14.8987 14.8987 15.2255 15.2255 15.3655 15.3655 15.7190 15.7190 15.9092 15.9092 15.9993 15.9993 16.5070 16.5070 17.3038 17.3038 17.6741 17.6741 18.1199 18.1199 19.7372 19.7372 20.4625 20.4625 20.6063 20.6063 k = 0.3947 0.3947-0.0000 ( 3818 PWs) bands (ev): 3.7147 3.7147 3.7603 3.7603 3.9933 3.9933 5.6333 5.6333 5.8428 5.8428 5.9227 5.9227 8.1257 8.1257 8.7097 8.7097 8.8898 8.8898 10.1081 10.1081 11.0851 11.0851 11.1428 11.1428 11.3666 11.3666 11.4078 11.4078 11.6983 11.6983 11.9370 11.9370 12.1684 12.1684 12.4162 12.4162 12.5518 12.5518 12.6725 12.6725 12.7932 12.7932 13.0960 13.0960 13.5271 13.5271 13.9667 13.9667 14.1034 14.1034 14.1732 14.1732 14.4251 14.4251 14.7019 14.7019 14.8909 14.8909 15.2247 15.2247 15.3656 15.3656 15.7334 15.7334 15.8755 15.8755 16.0233 16.0233 16.5337 16.5337 17.3441 17.3441 17.6803 17.6803 18.1576 18.1576 19.7977 19.7977 20.4645 20.4645 20.6982 20.6982 k = 0.3860 0.3860-0.0000 ( 3822 PWs) bands (ev): 3.7159 3.7159 3.7620 3.7620 3.9748 3.9748 5.6381 5.6381 5.8434 5.8434 5.9179 5.9179 8.0970 8.0970 8.7274 8.7274 8.9252 8.9252 10.0402 10.0402 11.1248 11.1248 11.1570 11.1570 11.3863 11.3863 11.4020 11.4020 11.7109 11.7109 11.9231 11.9231 12.1664 12.1664 12.3931 12.3931 12.5019 12.5019 12.6528 12.6528 12.7857 12.7857 13.0884 13.0884 13.5359 13.5359 13.9532 13.9532 14.0924 14.0924 14.1741 14.1741 14.4129 14.4129 14.6885 14.6885 14.8831 14.8831 15.2210 15.2210 15.3621 15.3621 15.7177 15.7177 15.8486 15.8486 16.0755 16.0755 16.5689 16.5689 17.3885 17.3885 17.6854 17.6854 18.1919 18.1919 19.8643 19.8643 20.4665 20.4665 20.7984 20.7984 k = 0.3772 0.3772-0.0000 ( 3824 PWs) bands (ev): 3.7169 3.7169 3.7637 3.7637 3.9548 3.9548 5.6430 5.6430 5.8441 5.8441 5.9127 5.9127 8.0665 8.0665 8.7460 8.7460 8.9628 8.9628 9.9709 9.9709 11.1381 11.1381 11.1949 11.1949 11.3890 11.3890 11.4144 11.4144 11.7217 11.7217 11.9103 11.9103 12.1612 12.1612 12.3704 12.3704 12.4554 12.4554 12.6294 12.6294 12.7837 12.7837 13.0815 13.0815 13.5455 13.5455 13.9432 13.9432 14.0807 14.0807 14.1809 14.1809 14.3926 14.3926 14.6740 14.6740 14.8753 14.8753 15.2144 15.2144 15.3549 15.3549 15.6905 15.6905 15.8280 15.8280 16.1356 16.1356 16.6155 16.6155 17.4375 17.4375 17.6898 17.6898 18.2215 18.2215 19.9374 19.9374 20.4687 20.4687 20.9063 20.9063 k = 0.3684 0.3684-0.0000 ( 3814 PWs) bands (ev): 3.7177 3.7177 3.7655 3.7655 3.9336 3.9336 5.6479 5.6479 5.8446 5.8446 5.9074 5.9074 8.0343 8.0343 8.7656 8.7656 9.0023 9.0023 9.9005 9.9005 11.1367 11.1367 11.2432 11.2432 11.3859 11.3859 11.4339 11.4339 11.7293 11.7293 11.9007 11.9007 12.1529 12.1529 12.3438 12.3438 12.4173 12.4173 12.6050 12.6050 12.7847 12.7847 13.0748 13.0748 13.5556 13.5556 13.9368 13.9368 14.0712 14.0712 14.1903 14.1903 14.3655 14.3655 14.6590 14.6590 14.8672 14.8672 15.2049 15.2049 15.3444 15.3444 15.6625 15.6625 15.8132 15.8132 16.1910 16.1910 16.6762 16.6762 17.4914 17.4914 17.6935 17.6935 18.2460 18.2460 20.0169 20.0169 20.4713 20.4713 21.0211 21.0211 k = 0.3596 0.3596-0.0000 ( 3813 PWs) bands (ev): 3.7182 3.7182 3.7674 3.7674 3.9111 3.9111 5.6528 5.6528 5.8451 5.8451 5.9018 5.9018 8.0007 8.0007 8.7860 8.7860 9.0431 9.0431 9.8291 9.8291 11.1297 11.1297 11.2905 11.2905 11.3856 11.3856 11.4524 11.4524 11.7334 11.7334 11.8959 11.8959 12.1415 12.1415 12.3093 12.3093 12.3927 12.3927 12.5817 12.5817 12.7871 12.7871 13.0683 13.0683 13.5662 13.5662 13.9335 13.9335 14.0651 14.0651 14.2011 14.2011 14.3334 14.3334 14.6443 14.6443 14.8586 14.8586 15.1917 15.1917 15.3315 15.3315 15.6384 15.6384 15.8033 15.8033 16.2365 16.2365 16.7515 16.7515 17.5507 17.5507 17.6967 17.6967 18.2653 18.2653 20.1026 20.1026 20.4741 20.4741 21.1420 21.1420 k = 0.3509 0.3509-0.0000 ( 3809 PWs) bands (ev): 3.7183 3.7183 3.7693 3.7693 3.8875 3.8875 5.6577 5.6577 5.8454 5.8454 5.8961 5.8961 7.9656 7.9656 8.8072 8.8072 9.0849 9.0849 9.7573 9.7573 11.1189 11.1189 11.3298 11.3298 11.3905 11.3905 11.4696 11.4696 11.7358 11.7358 11.8958 11.8958 12.1275 12.1275 12.2695 12.2695 12.3798 12.3798 12.5604 12.5604 12.7905 12.7905 13.0616 13.0616 13.5769 13.5769 13.9329 13.9329 14.0627 14.0627 14.2126 14.2126 14.2987 14.2987 14.6302 14.6302 14.8494 14.8494 15.1745 15.1745 15.3179 15.3179 15.6197 15.6197 15.7970 15.7970 16.2716 16.2716 16.8401 16.8401 17.6153 17.6153 17.6995 17.6995 18.2794 18.2794 20.1938 20.1938 20.4777 20.4777 21.2681 21.2681 k = 0.3421 0.3421-0.0000 ( 3809 PWs) bands (ev): 3.7181 3.7181 3.7711 3.7711 3.8628 3.8628 5.6625 5.6625 5.8454 5.8454 5.8903 5.8903 7.9292 7.9292 8.8289 8.8289 9.1269 9.1269 9.6855 9.6855 11.1055 11.1055 11.3525 11.3525 11.4034 11.4034 11.4867 11.4867 11.7409 11.7409 11.8986 11.8986 12.1114 12.1114 12.2294 12.2294 12.3745 12.3745 12.5413 12.5413 12.7947 12.7947 13.0545 13.0545 13.5875 13.5875 13.9347 13.9347 14.0641 14.0641 14.2236 14.2236 14.2647 14.2647 14.6173 14.6173 14.8396 14.8396 15.1530 15.1530 15.3055 15.3055 15.6065 15.6065 15.7930 15.7930 16.2978 16.2978 16.9393 16.9393 17.6852 17.6852 17.7019 17.7019 18.2889 18.2889 20.2889 20.2889 20.4827 20.4827 21.3984 21.3984 k = 0.3333 0.3333-0.0000 ( 3811 PWs) bands (ev): 3.7172 3.7172 3.7728 3.7728 3.8373 3.8373 5.6671 5.6671 5.8450 5.8450 5.8846 5.8846 7.8915 7.8915 8.8511 8.8511 9.1681 9.1681 9.6147 9.6147 11.0904 11.0904 11.3603 11.3603 11.4150 11.4150 11.5062 11.5062 11.7535 11.7535 11.9013 11.9013 12.0944 12.0944 12.1920 12.1920 12.3745 12.3745 12.5245 12.5245 12.8000 12.8000 13.0469 13.0469 13.5980 13.5980 13.9382 13.9382 14.0687 14.0687 14.2238 14.2238 14.2447 14.2447 14.6058 14.6058 14.8291 14.8291 15.1283 15.1283 15.2954 15.2954 15.5980 15.5980 15.7901 15.7901 16.3171 16.3171 17.0464 17.0464 17.7036 17.7036 17.7605 17.7605 18.2946 18.2946 20.3837 20.3837 20.4929 20.4929 21.5315 21.5315 k = 0.3246 0.3246-0.0000 ( 3809 PWs) bands (ev): 3.7155 3.7155 3.7743 3.7743 3.8115 3.8115 5.6715 5.6715 5.8441 5.8441 5.8791 5.8791 7.8527 7.8527 8.8736 8.8736 9.2064 9.2064 9.5469 9.5469 11.0744 11.0744 11.3623 11.3623 11.4141 11.4141 11.5275 11.5275 11.7766 11.7766 11.9011 11.9011 12.0780 12.0780 12.1586 12.1586 12.3780 12.3780 12.5105 12.5105 12.8067 12.8067 13.0392 13.0392 13.6083 13.6083 13.9432 13.9432 14.0752 14.0752 14.2013 14.2013 14.2531 14.2531 14.5963 14.5963 14.8180 14.8180 15.1019 15.1019 15.2877 15.2877 15.5932 15.5932 15.7874 15.7874 16.3315 16.3315 17.1591 17.1591 17.7051 17.7051 17.8401 17.8401 18.2976 18.2976 20.4531 20.4531 20.5323 20.5323 21.6657 21.6657 k = 0.3158 0.3158-0.0000 ( 3809 PWs) bands (ev): 3.7122 3.7122 3.7747 3.7747 3.7870 3.7870 5.6756 5.6756 5.8425 5.8425 5.8740 5.8740 7.8127 7.8127 8.8962 8.8962 9.2369 9.2369 9.4867 9.4867 11.0581 11.0581 11.3614 11.3614 11.4014 11.4014 11.5463 11.5463 11.8089 11.8089 11.8970 11.8970 12.0636 12.0636 12.1301 12.1301 12.3814 12.3814 12.5018 12.5018 12.8155 12.8155 13.0322 13.0322 13.6184 13.6184 13.9494 13.9494 14.0808 14.0808 14.1850 14.1850 14.2647 14.2647 14.5893 14.5893 14.8063 14.8063 15.0759 15.0759 15.2821 15.2821 15.5914 15.5914 15.7843 15.7843 16.3421 16.3421 17.2756 17.2756 17.7062 17.7062 17.9233 17.9233 18.2994 18.2994 20.4735 20.4735 20.6235 20.6235 21.7982 21.7982 k = 0.3070 0.3070-0.0000 ( 3813 PWs) bands (ev): 3.7054 3.7054 3.7612 3.7612 3.7784 3.7784 5.6794 5.6794 5.8399 5.8399 5.8696 5.8696 7.7717 7.7717 8.9186 8.9186 9.2479 9.2479 9.4462 9.4462 11.0422 11.0422 11.3580 11.3580 11.3812 11.3812 11.5604 11.5604 11.8424 11.8424 11.8932 11.8932 12.0514 12.0514 12.1067 12.1067 12.3784 12.3784 12.5035 12.5035 12.8267 12.8267 13.0273 13.0273 13.6286 13.6286 13.9566 13.9566 14.0822 14.0822 14.1819 14.1819 14.2762 14.2762 14.5852 14.5852 14.7941 14.7941 15.0519 15.0519 15.2783 15.2783 15.5918 15.5918 15.7803 15.7803 16.3499 16.3499 17.3946 17.3946 17.7071 17.7071 18.0079 18.0079 18.3026 18.3026 20.4812 20.4812 20.7296 20.7296 21.9241 21.9241 k = 0.2982 0.2982-0.0000 ( 3809 PWs) bands (ev): 3.6916 3.6916 3.7444 3.7444 3.7789 3.7789 5.6828 5.6828 5.8363 5.8363 5.8658 5.8658 7.7298 7.7298 8.9402 8.9402 9.2248 9.2248 9.4398 9.4398 11.0268 11.0268 11.3475 11.3475 11.3614 11.3614 11.5692 11.5692 11.8521 11.8521 11.9120 11.9120 12.0409 12.0409 12.0884 12.0884 12.3637 12.3637 12.5199 12.5199 12.8405 12.8405 13.0264 13.0264 13.6391 13.6391 13.9648 13.9648 14.0790 14.0790 14.1924 14.1924 14.2868 14.2868 14.5847 14.5847 14.7816 14.7816 15.0312 15.0312 15.2759 15.2759 15.5938 15.5938 15.7752 15.7752 16.3555 16.3555 17.5143 17.5143 17.7086 17.7086 18.0890 18.0890 18.3124 18.3124 20.4866 20.4866 20.8388 20.8388 22.0310 22.0310 k = 0.2895 0.2895-0.0000 ( 3801 PWs) bands (ev): 3.6693 3.6693 3.7346 3.7346 3.7796 3.7796 5.6858 5.6858 5.8317 5.8317 5.8628 5.8628 7.6870 7.6870 8.9602 8.9602 9.1753 9.1753 9.4609 9.4609 11.0122 11.0122 11.3219 11.3219 11.3521 11.3521 11.5730 11.5730 11.8403 11.8403 11.9494 11.9494 12.0314 12.0314 12.0749 12.0749 12.3376 12.3376 12.5496 12.5496 12.8565 12.8565 13.0323 13.0323 13.6502 13.6502 13.9739 13.9739 14.0743 14.0743 14.2128 14.2128 14.2963 14.2963 14.5883 14.5883 14.7688 14.7688 15.0148 15.0148 15.2745 15.2745 15.5971 15.5971 15.7691 15.7691 16.3594 16.3594 17.6283 17.6283 17.7159 17.7159 18.1552 18.1552 18.3405 18.3405 20.4916 20.4916 20.9481 20.9481 22.0834 22.0834 k = 0.2807 0.2807-0.0000 ( 3807 PWs) bands (ev): 3.6416 3.6416 3.7294 3.7294 3.7800 3.7800 5.6884 5.6884 5.8263 5.8263 5.8602 5.8602 7.6436 7.6436 8.9748 8.9748 9.1185 9.1185 9.4935 9.4935 10.9985 10.9985 11.2917 11.2917 11.3439 11.3439 11.5720 11.5720 11.8251 11.8251 11.9848 11.9848 12.0223 12.0223 12.0668 12.0668 12.3031 12.3031 12.5892 12.5892 12.8738 12.8738 13.0478 13.0478 13.6624 13.6624 13.9839 13.9839 14.0711 14.0711 14.2389 14.2389 14.3049 14.3049 14.5960 14.5960 14.7561 14.7561 15.0031 15.0031 15.2740 15.2740 15.6012 15.6012 15.7621 15.7621 16.3619 16.3619 17.6861 17.6861 17.7785 17.7785 18.1941 18.1941 18.4002 18.4002 20.4966 20.4966 21.0554 21.0554 22.0435 22.0435 k = 0.2719 0.2719-0.0000 ( 3807 PWs) bands (ev): 3.6112 3.6112 3.7261 3.7261 3.7801 3.7801 5.6905 5.6905 5.8204 5.8204 5.8578 5.8578 7.5995 7.5995 8.9705 8.9705 9.0758 9.0758 9.5297 9.5297 10.9857 10.9857 11.2604 11.2604 11.3344 11.3344 11.5666 11.5666 11.8110 11.8110 12.0014 12.0014 12.0214 12.0214 12.0668 12.0668 12.2629 12.2629 12.6364 12.6364 12.8916 12.8916 13.0754 13.0754 13.6760 13.6760 13.9944 13.9944 14.0703 14.0703 14.2678 14.2678 14.3135 14.3135 14.6080 14.6080 14.7441 14.7441 14.9963 14.9963 15.2741 15.2741 15.6058 15.6058 15.7546 15.7546 16.3633 16.3633 17.6908 17.6908 17.8911 17.8911 18.2126 18.2126 18.4861 18.4861 20.5017 20.5017 21.1581 21.1581 21.9523 21.9523 k = 0.2632 0.2632-0.0000 ( 3809 PWs) bands (ev): 3.5794 3.5794 3.7235 3.7235 3.7799 3.7799 5.6921 5.6921 5.8142 5.8142 5.8555 5.8555 7.5550 7.5550 8.9282 8.9282 9.0690 9.0690 9.5664 9.5664 10.9734 10.9734 11.2287 11.2287 11.3232 11.3232 11.5576 11.5576 11.7993 11.7993 11.9874 11.9874 12.0368 12.0368 12.0740 12.0740 12.2206 12.2206 12.6895 12.6895 12.9098 12.9098 13.1154 13.1154 13.6914 13.6914 14.0053 14.0053 14.0723 14.0723 14.2939 14.2939 14.3267 14.3267 14.6239 14.6239 14.7333 14.7333 14.9943 14.9943 15.2749 15.2749 15.6103 15.6103 15.7472 15.7472 16.3639 16.3639 17.6886 17.6886 18.0020 18.0020 18.2286 18.2286 18.5850 18.5850 20.5072 20.5072 21.2517 21.2517 21.8492 21.8492 k = 0.2544 0.2544-0.0000 ( 3819 PWs) bands (ev): 3.5467 3.5467 3.7212 3.7212 3.7794 3.7794 5.6930 5.6930 5.8080 5.8080 5.8530 5.8530 7.5103 7.5103 8.8648 8.8648 9.0829 9.0829 9.6021 9.6021 10.9617 10.9617 11.1972 11.1972 11.3102 11.3102 11.5460 11.5460 11.7901 11.7901 11.9659 11.9659 12.0507 12.0507 12.0770 12.0770 12.1833 12.1833 12.7477 12.7477 12.9291 12.9291 13.1666 13.1666 13.7093 13.7093 14.0160 14.0160 14.0770 14.0770 14.3084 14.3084 14.3528 14.3528 14.6430 14.6430 14.7248 14.7248 14.9969 14.9969 15.2761 15.2761 15.6143 15.6143 15.7406 15.7406 16.3637 16.3637 17.6842 17.6842 18.0906 18.0906 18.2645 18.2645 18.6900 18.6900 20.5130 20.5130 21.3271 21.3271 21.7535 21.7535 k = 0.2456 0.2456-0.0000 ( 3815 PWs) bands (ev): 3.5135 3.5135 3.7190 3.7190 3.7786 3.7786 5.6934 5.6934 5.8018 5.8018 5.8502 5.8502 7.4654 7.4654 8.7956 8.7956 9.1026 9.1026 9.6360 9.6360 10.9501 10.9501 11.1662 11.1662 11.2955 11.2955 11.5332 11.5332 11.7828 11.7828 11.9402 11.9402 12.0509 12.0509 12.0739 12.0739 12.1633 12.1633 12.8103 12.8103 12.9503 12.9503 13.2267 13.2267 13.7302 13.7302 14.0259 14.0259 14.0845 14.0845 14.3156 14.3156 14.3874 14.3874 14.6634 14.6634 14.7204 14.7204 15.0039 15.0039 15.2778 15.2778 15.6168 15.6168 15.7359 15.7359 16.3630 16.3630 17.6783 17.6783 18.1353 18.1353 18.3438 18.3438 18.7978 18.7978 20.5191 20.5191 21.3641 21.3641 21.6879 21.6879 k = 0.2368 0.2368-0.0000 ( 3803 PWs) bands (ev): 3.4799 3.4799 3.7169 3.7169 3.7775 3.7775 5.6930 5.6930 5.7958 5.7958 5.8471 5.8471 7.4207 7.4207 8.7249 8.7249 9.1244 9.1244 9.6675 9.6675 10.9386 10.9386 11.1357 11.1357 11.2791 11.2791 11.5202 11.5202 11.7763 11.7763 11.9111 11.9111 12.0114 12.0114 12.0924 12.0924 12.1605 12.1605 12.8766 12.8766 12.9740 12.9740 13.2925 13.2925 13.7551 13.7551 14.0341 14.0341 14.0951 14.0951 14.3213 14.3213 14.4246 14.4246 14.6805 14.6805 14.7249 14.7249 15.0148 15.0148 15.2800 15.2800 15.6173 15.6173 15.7341 15.7341 16.3620 16.3620 17.6708 17.6708 18.1504 18.1504 18.4529 18.4529 18.9064 18.9064 20.5253 20.5253 21.3384 21.3384 21.6759 21.6759 k = 0.2281 0.2281-0.0000 ( 3807 PWs) bands (ev): 3.4463 3.4463 3.7146 3.7146 3.7761 3.7761 5.6919 5.6919 5.7901 5.7901 5.8436 5.8436 7.3763 7.3763 8.6541 8.6541 9.1472 9.1472 9.6962 9.6962 10.9269 10.9269 11.1060 11.1060 11.2611 11.2611 11.5081 11.5081 11.7687 11.7687 11.8799 11.8799 11.9617 11.9617 12.1147 12.1147 12.1658 12.1658 12.9457 12.9457 13.0004 13.0004 13.3609 13.3609 13.7852 13.7852 14.0401 14.0401 14.1088 14.1088 14.3274 14.3274 14.4625 14.4625 14.6889 14.6889 14.7438 14.7438 15.0294 15.0294 15.2826 15.2826 15.6153 15.6153 15.7358 15.7358 16.3608 16.3608 17.6618 17.6618 18.1561 18.1561 18.5722 18.5722 19.0144 19.0144 20.5314 20.5314 21.2661 21.2661 21.7002 21.7002 k = 0.2193 0.2193-0.0000 ( 3801 PWs) bands (ev): 3.4126 3.4126 3.7123 3.7123 3.7745 3.7745 5.6901 5.6901 5.7847 5.7847 5.8396 5.8396 7.3324 7.3324 8.5840 8.5840 9.1706 9.1706 9.7218 9.7218 10.9148 10.9148 11.0770 11.0770 11.2417 11.2417 11.4975 11.4975 11.7566 11.7566 11.8480 11.8480 11.9119 11.9119 12.1304 12.1304 12.1824 12.1824 13.0140 13.0140 13.0323 13.0323 13.4284 13.4284 13.8218 13.8218 14.0437 14.0437 14.1254 14.1254 14.3348 14.3348 14.5001 14.5001 14.6928 14.6928 14.7729 14.7729 15.0472 15.0472 15.2855 15.2855 15.6111 15.6111 15.7411 15.7411 16.3596 16.3596 17.6512 17.6512 18.1595 18.1595 18.6948 18.6948 19.1199 19.1199 20.5368 20.5368 21.1791 21.1791 21.7286 21.7286 k = 0.2105 0.2105-0.0000 ( 3805 PWs) bands (ev): 3.3791 3.3791 3.7098 3.7098 3.7725 3.7725 5.6875 5.6875 5.7797 5.7797 5.8353 5.8353 7.2893 7.2893 8.5149 8.5149 9.1944 9.1944 9.7443 9.7443 10.9022 10.9022 11.0488 11.0488 11.2209 11.2209 11.4890 11.4890 11.7348 11.7348 11.8170 11.8170 11.8691 11.8691 12.1335 12.1335 12.2148 12.2148 13.0554 13.0554 13.0948 13.0948 13.4919 13.4919 13.8661 13.8661 14.0452 14.0452 14.1448 14.1448 14.3444 14.3444 14.5367 14.5367 14.6972 14.6972 14.8073 14.8073 15.0677 15.0677 15.2888 15.2888 15.6058 15.6058 15.7496 15.7496 16.3586 16.3586 17.6389 17.6389 18.1631 18.1631 18.8181 18.8181 19.2212 19.2212 20.5405 20.5405 21.0938 21.0938 21.7461 21.7461 k = 0.2018 0.2018-0.0000 ( 3805 PWs) bands (ev): 3.3460 3.3460 3.7072 3.7072 3.7704 3.7704 5.6841 5.6841 5.7751 5.7751 5.8305 5.8305 7.2471 7.2471 8.4472 8.4472 9.2185 9.2185 9.7635 9.7635 10.8890 10.8890 11.0213 11.0213 11.1988 11.1988 11.4828 11.4828 11.6999 11.6999 11.7838 11.7838 11.8415 11.8415 12.1294 12.1294 12.2573 12.2573 13.0875 13.0875 13.1686 13.1686 13.5492 13.5492 13.9180 13.9180 14.0447 14.0447 14.1670 14.1670 14.3569 14.3569 14.5716 14.5716 14.7037 14.7037 14.8454 14.8454 15.0904 15.0904 15.2925 15.2925 15.6004 15.6004 15.7606 15.7606 16.3580 16.3580 17.6248 17.6248 18.1681 18.1681 18.9409 18.9409 19.3159 19.3159 20.5412 20.5412 21.0190 21.0190 21.7484 21.7484 k = 0.1930 0.1930-0.0000 ( 3797 PWs) bands (ev): 3.3132 3.3132 3.7045 3.7045 3.7681 3.7681 5.6800 5.6800 5.7709 5.7709 5.8254 5.8254 7.2060 7.2060 8.3810 8.3810 9.2430 9.2430 9.7794 9.7794 10.8751 10.8751 10.9945 10.9945 11.1758 11.1758 11.4792 11.4792 11.6553 11.6553 11.7467 11.7467 11.8290 11.8290 12.1215 12.1215 12.3059 12.3059 13.1198 13.1198 13.2428 13.2428 13.5997 13.5997 13.9755 13.9755 14.0424 14.0424 14.1924 14.1924 14.3736 14.3736 14.6046 14.6046 14.7126 14.7126 14.8867 14.8867 15.1145 15.1145 15.2965 15.2965 15.5962 15.5962 15.7736 15.7736 16.3582 16.3582 17.6087 17.6087 18.1751 18.1751 19.0623 19.0623 19.4009 19.4009 20.5374 20.5374 20.9613 20.9613 21.7358 21.7358 k = 0.1842 0.1842-0.0000 ( 3805 PWs) bands (ev): 3.2809 3.2809 3.7016 3.7016 3.7656 3.7656 5.6753 5.6753 5.7669 5.7669 5.8201 5.8201 7.1662 7.1662 8.3165 8.3165 9.2677 9.2677 9.7922 9.7922 10.8605 10.8605 10.9683 10.9683 11.1517 11.1517 11.4779 11.4779 11.6062 11.6062 11.7085 11.7085 11.8245 11.8245 12.1114 12.1114 12.3590 12.3590 13.1524 13.1524 13.3158 13.3158 13.6445 13.6445 14.0305 14.0305 14.0428 14.0428 14.2221 14.2221 14.3958 14.3958 14.6354 14.6354 14.7239 14.7239 14.9307 14.9307 15.1392 15.1392 15.3012 15.3012 15.5942 15.5942 15.7880 15.7880 16.3594 16.3594 17.5907 17.5907 18.1844 18.1844 19.1812 19.1812 19.4729 19.4729 20.5292 20.5292 20.9258 20.9258 21.7109 21.7109 k = 0.1754 0.1754-0.0000 ( 3809 PWs) bands (ev): 3.2494 3.2494 3.6985 3.6985 3.7629 3.7629 5.6700 5.6700 5.7630 5.7630 5.8145 5.8145 7.1278 7.1278 8.2539 8.2539 9.2926 9.2926 9.8020 9.8020 10.8453 10.8453 10.9427 10.9427 11.1269 11.1269 11.4781 11.4781 11.5568 11.5568 11.6711 11.6711 11.8239 11.8239 12.0998 12.0998 12.4153 12.4153 13.1848 13.1848 13.3860 13.3860 13.6853 13.6853 14.0308 14.0308 14.0933 14.0933 14.2572 14.2572 14.4251 14.4251 14.6640 14.6640 14.7373 14.7373 14.9769 14.9769 15.1634 15.1634 15.3070 15.3070 15.5952 15.5952 15.8035 15.8035 16.3619 16.3619 17.5705 17.5705 18.1964 18.1964 19.2959 19.2959 19.5283 19.5283 20.5200 20.5200 20.9143 20.9143 21.6768 21.6768 k = 0.1667 0.1667-0.0000 ( 3809 PWs) bands (ev): 3.2186 3.2186 3.6954 3.6954 3.7603 3.7603 5.6643 5.6643 5.7592 5.7592 5.8089 5.8089 7.0911 7.0911 8.1934 8.1934 9.3176 9.3176 9.8092 9.8092 10.8295 10.8295 10.9176 10.9176 11.1014 11.1014 11.4753 11.4753 11.5134 11.5134 11.6350 11.6350 11.8253 11.8253 12.0873 12.0873 12.4738 12.4738 13.2169 13.2169 13.4521 13.4521 13.7239 13.7239 14.0234 14.0234 14.1433 14.1433 14.2981 14.2981 14.4629 14.4629 14.6907 14.6907 14.7526 14.7526 15.0244 15.0244 15.1856 15.1856 15.3154 15.3154 15.5999 15.5999 15.8198 15.8198 16.3664 16.3664 17.5481 17.5481 18.2110 18.2110 19.4018 19.4018 19.5674 19.5674 20.5160 20.5160 20.9250 20.9250 21.6364 21.6364 k = 0.1579 0.1579-0.0000 ( 3813 PWs) bands (ev): 3.1886 3.1886 3.6921 3.6921 3.7575 3.7575 5.6581 5.6581 5.7552 5.7552 5.8035 5.8035 7.0560 7.0560 8.1352 8.1352 9.3427 9.3427 9.8139 9.8139 10.8132 10.8132 10.8929 10.8929 11.0753 11.0753 11.4473 11.4473 11.4991 11.4991 11.6005 11.6005 11.8281 11.8281 12.0741 12.0741 12.5333 12.5333 13.2483 13.2483 13.5128 13.5128 13.7617 13.7617 14.0144 14.0144 14.1863 14.1863 14.3429 14.3429 14.5094 14.5094 14.7158 14.7158 14.7697 14.7697 15.0721 15.0721 15.2038 15.2038 15.3282 15.3282 15.6085 15.6085 15.8367 15.8367 16.3731 16.3731 17.5233 17.5233 18.2285 18.2285 19.4798 19.4798 19.6065 19.6065 20.5229 20.5229 20.9548 20.9548 21.5924 21.5924 k = 0.1491 0.1491-0.0000 ( 3809 PWs) bands (ev): 3.1597 3.1597 3.6887 3.6887 3.7548 3.7548 5.6517 5.6517 5.7509 5.7509 5.7983 5.7983 7.0229 7.0229 8.0793 8.0793 9.3676 9.3676 9.8165 9.8165 10.7965 10.7965 10.8687 10.8687 11.0489 11.0489 11.4047 11.4047 11.5030 11.5030 11.5683 11.5683 11.8318 11.8318 12.0608 12.0608 12.5928 12.5928 13.2789 13.2789 13.5674 13.5674 13.7991 13.7991 14.0039 14.0039 14.2244 14.2244 14.3898 14.3898 14.5628 14.5628 14.7397 14.7397 14.7887 14.7887 15.1186 15.1186 15.2167 15.2167 15.3478 15.3478 15.6206 15.6206 15.8541 15.8541 16.3828 16.3828 17.4961 17.4961 18.2489 18.2489 19.4964 19.4964 19.6800 19.6800 20.5427 20.5427 21.0005 21.0005 21.5469 21.5469 k = 0.1404 0.1404-0.0000 ( 3813 PWs) bands (ev): 3.1318 3.1318 3.6852 3.6852 3.7521 3.7521 5.6451 5.6451 5.7462 5.7462 5.7936 5.7936 6.9916 6.9916 8.0259 8.0259 9.3923 9.3923 9.8175 9.8175 10.7793 10.7793 10.8450 10.8450 11.0224 11.0224 11.3626 11.3626 11.5080 11.5080 11.5408 11.5408 11.8363 11.8363 12.0476 12.0476 12.6511 12.6511 13.3089 13.3089 13.6159 13.6159 13.8359 13.8359 13.9922 13.9922 14.2599 14.2599 14.4380 14.4380 14.6184 14.6184 14.7636 14.7636 14.8099 14.8099 15.1614 15.1614 15.2254 15.2254 15.3753 15.3753 15.6356 15.6356 15.8717 15.8717 16.3961 16.3961 17.4663 17.4663 18.2719 18.2719 19.4687 19.4687 19.7741 19.7741 20.5737 20.5737 21.0597 21.0597 21.5019 21.5019 k = 0.1316 0.1316-0.0000 ( 3813 PWs) bands (ev): 3.1052 3.1052 3.6816 3.6816 3.7495 3.7495 5.6384 5.6384 5.7410 5.7410 5.7894 5.7894 6.9623 6.9623 7.9751 7.9751 9.4165 9.4165 9.8171 9.8171 10.7620 10.7620 10.8217 10.8217 10.9958 10.9958 11.3230 11.3230 11.4980 11.4980 11.5320 11.5320 11.8413 11.8413 12.0349 12.0349 12.7069 12.7069 13.3384 13.3384 13.6591 13.6591 13.8712 13.8712 13.9796 13.9796 14.2940 14.2940 14.4880 14.4880 14.6705 14.6705 14.7894 14.7894 14.8342 14.8342 15.1946 15.1946 15.2358 15.2358 15.4102 15.4102 15.6525 15.6525 15.8892 15.8892 16.4135 16.4135 17.4340 17.4340 18.2977 18.2977 19.4200 19.4200 19.8702 19.8702 20.6128 20.6128 21.1298 21.1298 21.4596 21.4596 k = 0.1228 0.1228-0.0000 ( 3809 PWs) bands (ev): 3.0798 3.0798 3.6781 3.6781 3.7469 3.7469 5.6316 5.6316 5.7354 5.7354 5.7859 5.7859 6.9349 6.9349 7.9271 7.9271 9.4401 9.4401 9.8159 9.8159 10.7446 10.7446 10.7990 10.7990 10.9694 10.9694 11.2865 11.2865 11.4741 11.4741 11.5400 11.5400 11.8466 11.8466 12.0229 12.0229 12.7592 12.7592 13.3675 13.3675 13.6981 13.6981 13.9043 13.9043 13.9663 13.9663 14.3271 14.3271 14.5397 14.5397 14.7134 14.7134 14.8184 14.8184 14.8635 14.8635 15.2081 15.2081 15.2599 15.2599 15.4510 15.4510 15.6702 15.6702 15.9064 15.9064 16.4355 16.4355 17.3991 17.3991 18.3259 18.3259 19.3599 19.3599 19.9632 19.9632 20.6570 20.6570 21.2069 21.2069 21.4235 21.4235 k = 0.1140 0.1140-0.0000 ( 3815 PWs) bands (ev): 3.0557 3.0557 3.6745 3.6745 3.7445 3.7445 5.6248 5.6248 5.7294 5.7294 5.7829 5.7829 6.9097 6.9097 7.8818 7.8818 9.4628 9.4628 9.8142 9.8142 10.7272 10.7272 10.7769 10.7769 10.9435 10.9435 11.2532 11.2532 11.4496 11.4496 11.5512 11.5512 11.8521 11.8521 12.0119 12.0119 12.8069 12.8069 13.3967 13.3967 13.7339 13.7339 13.9346 13.9346 13.9525 13.9525 14.3590 14.3590 14.5922 14.5922 14.7455 14.7455 14.8480 14.8480 14.9008 14.9008 15.2095 15.2095 15.2923 15.2923 15.4958 15.4958 15.6878 15.6878 15.9228 15.9228 16.4626 16.4626 17.3616 17.3616 18.3563 18.3563 19.2937 19.2937 20.0512 20.0512 20.7039 20.7039 21.2800 21.2800 21.4039 21.4039 k = 0.1053 0.1053-0.0000 ( 3795 PWs) bands (ev): 3.0332 3.0332 3.6709 3.6709 3.7422 3.7422 5.6182 5.6182 5.7232 5.7232 5.7805 5.7805 6.8864 6.8864 7.8395 7.8395 9.4844 9.4844 9.8124 9.8124 10.7100 10.7100 10.7556 10.7556 10.9182 10.9182 11.2232 11.2232 11.4266 11.4266 11.5631 11.5631 11.8574 11.8574 12.0023 12.0023 12.8492 12.8492 13.4259 13.4259 13.7674 13.7674 13.9386 13.9386 13.9620 13.9620 14.3891 14.3891 14.6428 14.6428 14.7717 14.7717 14.8745 14.8745 14.9452 14.9452 15.2080 15.2080 15.3264 15.3264 15.5421 15.5421 15.7049 15.7049 15.9379 15.9379 16.4945 16.4945 17.3216 17.3216 18.3885 18.3885 19.2249 19.2249 20.1332 20.1332 20.7514 20.7514 21.3117 21.3117 21.4382 21.4382 k = 0.0965 0.0965-0.0000 ( 3789 PWs) bands (ev): 3.0121 3.0121 3.6674 3.6674 3.7400 3.7400 5.6117 5.6117 5.7170 5.7170 5.7785 5.7785 6.8652 6.8652 7.8003 7.8003 9.5045 9.5045 9.8108 9.8108 10.6932 10.6932 10.7352 10.7352 10.8938 10.8938 11.1963 11.1963 11.4054 11.4054 11.5750 11.5750 11.8624 11.8624 11.9942 11.9942 12.8857 12.8857 13.4551 13.4551 13.7991 13.7991 13.9248 13.9248 13.9868 13.9868 14.4170 14.4170 14.6867 14.6867 14.7992 14.7992 14.8981 14.8981 14.9911 14.9911 15.2064 15.2064 15.3620 15.3620 15.5874 15.5874 15.7222 15.7222 15.9512 15.9512 16.5309 16.5309 17.2794 17.2794 18.4221 18.4221 19.1559 19.1559 20.2089 20.2089 20.7973 20.7973 21.3060 21.3060 21.5223 21.5223 k = 0.0877 0.0877-0.0000 ( 3793 PWs) bands (ev): 2.9926 2.9926 3.6641 3.6641 3.7380 3.7380 5.6053 5.6053 5.7109 5.7109 5.7769 5.7769 6.8460 6.8460 7.7642 7.7642 9.5229 9.5229 9.8097 9.8097 10.6770 10.6770 10.7158 10.7158 10.8706 10.8706 11.1724 11.1724 11.3861 11.3861 11.5864 11.5864 11.8666 11.8666 11.9880 11.9880 12.9161 12.9161 13.4841 13.4841 13.8290 13.8290 13.9119 13.9119 14.0092 14.0092 14.4424 14.4424 14.7189 14.7189 14.8337 14.8337 14.9198 14.9198 15.0340 15.0340 15.2058 15.2058 15.4003 15.4003 15.6285 15.6285 15.7412 15.7412 15.9624 15.9624 16.5706 16.5706 17.2350 17.2350 18.4566 18.4566 19.0886 19.0886 20.2783 20.2783 20.8389 20.8389 21.3003 21.3003 21.6190 21.6190 k = 0.0789 0.0789-0.0000 ( 3793 PWs) bands (ev): 2.9748 2.9748 3.6609 3.6609 3.7362 3.7362 5.5993 5.5993 5.7051 5.7051 5.7756 5.7756 6.8287 6.8287 7.7312 7.7312 9.5394 9.5394 9.8095 9.8095 10.6617 10.6617 10.6977 10.6977 10.8486 10.8486 11.1514 11.1514 11.3688 11.3688 11.5972 11.5972 11.8699 11.8699 11.9837 11.9837 12.9408 12.9408 13.5123 13.5123 13.8557 13.8557 13.9013 13.9013 14.0297 14.0297 14.4649 14.4649 14.7392 14.7392 14.8749 14.8749 14.9403 14.9403 15.0711 15.0711 15.2070 15.2070 15.4419 15.4419 15.6615 15.6615 15.7653 15.7653 15.9712 15.9712 16.6125 16.6125 17.1888 17.1888 18.4915 18.4915 19.0245 19.0245 20.3414 20.3414 20.8733 20.8733 21.3051 21.3051 21.7162 21.7162 k = 0.0702 0.0702-0.0000 ( 3793 PWs) bands (ev): 2.9587 2.9587 3.6579 3.6579 3.7345 3.7345 5.5936 5.5936 5.6997 5.6997 5.7745 5.7745 6.8135 6.8135 7.7015 7.7015 9.5536 9.5536 9.8102 9.8102 10.6474 10.6474 10.6808 10.6808 10.8283 10.8283 11.1331 11.1331 11.3534 11.3534 11.6072 11.6072 11.8720 11.8720 11.9816 11.9816 12.9603 12.9603 13.5392 13.5392 13.8702 13.8702 13.9022 13.9022 14.0487 14.0487 14.4843 14.4843 14.7519 14.7519 14.9165 14.9165 14.9615 14.9615 15.1009 15.1009 15.2103 15.2103 15.4871 15.4871 15.6843 15.6843 15.7963 15.7963 15.9774 15.9774 16.6550 16.6550 17.1414 17.1414 18.5259 18.5259 18.9645 18.9645 20.3989 20.3989 20.8984 20.8984 21.3229 21.3229 21.7726 21.7726 k = 0.0614 0.0614-0.0000 ( 3787 PWs) bands (ev): 2.9443 2.9443 3.6551 3.6551 3.7330 3.7330 5.5884 5.5884 5.6947 5.6947 5.7736 5.7736 6.8001 6.8001 7.6752 7.6752 9.5657 9.5657 9.8119 9.8119 10.6344 10.6344 10.6653 10.6653 10.8097 10.8097 11.1174 11.1174 11.3399 11.3399 11.6160 11.6160 11.8731 11.8731 11.9812 11.9812 12.9752 12.9752 13.5642 13.5642 13.8653 13.8653 13.9213 13.9213 14.0664 14.0664 14.5004 14.5004 14.7605 14.7605 14.9493 14.9493 14.9885 14.9885 15.1237 15.1237 15.2152 15.2152 15.5343 15.5343 15.6991 15.6991 15.8322 15.8322 15.9811 15.9811 16.6966 16.6966 17.0934 17.0934 18.5591 18.5591 18.9097 18.9097 20.4511 20.4511 20.9138 20.9138 21.3532 21.3532 21.7456 21.7456 k = 0.0526 0.0526-0.0000 ( 3797 PWs) bands (ev): 2.9318 2.9318 3.6527 3.6527 3.7317 3.7317 5.5837 5.5837 5.6903 5.6903 5.7729 5.7729 6.7886 6.7886 7.6522 7.6522 9.5755 9.5755 9.8144 9.8144 10.6230 10.6230 10.6513 10.6513 10.7932 10.7932 11.1041 11.1041 11.3282 11.3282 11.6237 11.6237 11.8734 11.8734 11.9823 11.9823 12.9863 12.9863 13.5866 13.5866 13.8560 13.8560 13.9435 13.9435 14.0830 14.0830 14.5132 14.5132 14.7668 14.7668 14.9693 14.9693 15.0232 15.0232 15.1404 15.1404 15.2207 15.2207 15.5807 15.5807 15.7110 15.7110 15.8692 15.8692 15.9826 15.9826 16.7356 16.7356 17.0458 17.0458 18.5904 18.5904 18.8608 18.8608 20.4985 20.4985 20.9207 20.9207 21.3930 21.3930 21.7131 21.7131 k = 0.0439 0.0439-0.0000 ( 3789 PWs) bands (ev): 2.9212 2.9212 3.6505 3.6505 3.7306 3.7306 5.5796 5.5796 5.6865 5.6865 5.7723 5.7723 6.7789 6.7789 7.6327 7.6327 9.5832 9.5832 9.8175 9.8175 10.6133 10.6133 10.6390 10.6390 10.7788 10.7788 11.0931 11.0931 11.3184 11.3184 11.6303 11.6303 11.8730 11.8730 11.9844 11.9844 12.9944 12.9944 13.6061 13.6061 13.8467 13.8467 13.9637 13.9637 14.0985 14.0985 14.5229 14.5229 14.7717 14.7717 14.9821 14.9821 15.0588 15.0588 15.1528 15.1528 15.2257 15.2257 15.6210 15.6210 15.7257 15.7257 15.9032 15.9032 15.9833 15.9833 16.7709 16.7709 16.9999 16.9999 18.6188 18.6188 18.8184 18.8184 20.5416 20.5416 20.9210 20.9210 21.4388 21.4388 21.6854 21.6854 k = 0.0351 0.0351-0.0000 ( 3785 PWs) bands (ev): 2.9124 2.9124 3.6487 3.6487 3.7297 3.7297 5.5761 5.5761 5.6833 5.6833 5.7719 5.7719 6.7710 6.7710 7.6167 7.6167 9.5889 9.5889 9.8208 9.8208 10.6054 10.6054 10.6283 10.6283 10.7668 10.7668 11.0843 11.0843 11.3103 11.3103 11.6355 11.6355 11.8723 11.8723 11.9868 11.9868 13.0001 13.0001 13.6225 13.6225 13.8384 13.8384 13.9808 13.9808 14.1126 14.1126 14.5299 14.5299 14.7757 14.7757 14.9911 14.9911 15.0914 15.0914 15.1621 15.1621 15.2289 15.2289 15.6483 15.6483 15.7495 15.7495 15.9274 15.9274 15.9874 15.9874 16.8012 16.8012 16.9572 16.9572 18.6436 18.6436 18.7829 18.7829 20.5802 20.5802 20.9164 20.9164 21.4873 21.4873 21.6636 21.6636 k = 0.0263 0.0263-0.0000 ( 3787 PWs) bands (ev): 2.9055 2.9055 3.6473 3.6473 3.7290 3.7290 5.5733 5.5733 5.6808 5.6808 5.7715 5.7715 6.7650 6.7650 7.6042 7.6042 9.5931 9.5931 9.8240 9.8240 10.5995 10.5995 10.6197 10.6197 10.7573 10.7573 11.0775 11.0775 11.3041 11.3041 11.6396 11.6396 11.8715 11.8715 11.9892 11.9892 13.0039 13.0039 13.6355 13.6355 13.8316 13.8316 13.9941 13.9941 14.1247 14.1247 14.5345 14.5345 14.7788 14.7788 14.9976 14.9976 15.1194 15.1194 15.1691 15.1691 15.2298 15.2298 15.6619 15.6619 15.7825 15.7825 15.9334 15.9334 16.0015 16.0015 16.8256 16.8256 16.9200 16.9200 18.6641 18.6641 18.7547 18.7547 20.6140 20.6140 20.9086 20.9086 21.5358 21.5358 21.6480 21.6480 k = 0.0175 0.0175-0.0000 ( 3793 PWs) bands (ev): 2.9006 2.9006 3.6462 3.6462 3.7285 3.7285 5.5713 5.5713 5.6790 5.6790 5.7713 5.7713 6.7606 6.7606 7.5953 7.5953 9.5958 9.5958 9.8265 9.8265 10.5954 10.5954 10.6131 10.6131 10.7504 10.7504 11.0727 11.0727 11.2997 11.2997 11.6425 11.6425 11.8709 11.8709 11.9912 11.9912 13.0063 13.0063 13.6449 13.6449 13.8264 13.8264 14.0036 14.0036 14.1341 14.1341 14.5373 14.5373 14.7811 14.7811 15.0020 15.0020 15.1417 15.1417 15.1739 15.1739 15.2287 15.2287 15.6675 15.6675 15.8181 15.8181 15.9244 15.9244 16.0199 16.0199 16.8437 16.8437 16.8906 16.8906 18.6798 18.6798 18.7339 18.7339 20.6414 20.6414 20.8993 20.8993 21.5816 21.5816 21.6379 21.6379 k = 0.0088 0.0088-0.0000 ( 3781 PWs) bands (ev): 2.8977 2.8977 3.6456 3.6456 3.7282 3.7282 5.5701 5.5701 5.6780 5.6780 5.7711 5.7711 6.7580 6.7580 7.5899 7.5899 9.5974 9.5974 9.8282 9.8282 10.5931 10.5931 10.6090 10.6090 10.7462 10.7462 11.0699 11.0699 11.2971 11.2971 11.6443 11.6443 11.8705 11.8705 11.9925 11.9925 13.0076 13.0076 13.6507 13.6507 13.8232 13.8232 14.0093 14.0093 14.1402 14.1402 14.5387 14.5387 14.7825 14.7825 15.0046 15.0046 15.1571 15.1571 15.1766 15.1766 15.2266 15.2266 15.6697 15.6697 15.8513 15.8513 15.9072 15.9072 16.0337 16.0337 16.8550 16.8550 16.8712 16.8712 18.6902 18.6902 18.7205 18.7205 20.6600 20.6600 20.8916 20.8916 21.6187 21.6187 21.6332 21.6332 k = 0.0000 0.0000 0.0000 ( 3781 PWs) bands (ev): 2.8967 2.8967 3.6454 3.6454 3.7281 3.7281 5.5697 5.5697 5.6776 5.6776 5.7711 5.7711 6.7572 6.7572 7.5881 7.5881 9.5979 9.5979 9.8287 9.8287 10.5924 10.5924 10.6076 10.6076 10.7448 10.7448 11.0689 11.0689 11.2962 11.2962 11.6448 11.6448 11.8703 11.8703 11.9930 11.9930 13.0080 13.0080 13.6526 13.6526 13.8221 13.8221 14.0111 14.0111 14.1422 14.1422 14.5392 14.5392 14.7829 14.7829 15.0054 15.0054 15.1629 15.1629 15.1772 15.1772 15.2254 15.2254 15.6702 15.6702 15.8738 15.8738 15.8901 15.8901 16.0388 16.0388 16.8606 16.8606 16.8627 16.8627 18.6944 18.6944 18.7154 18.7154 20.6666 20.6666 20.8885 20.8885 21.6285 21.6285 21.6380 21.6380 k = 0.0000 0.0000 0.0000 ( 3781 PWs) bands (ev): 2.8967 2.8967 3.6454 3.6454 3.7281 3.7281 5.5697 5.5697 5.6776 5.6776 5.7711 5.7711 6.7572 6.7572 7.5881 7.5881 9.5979 9.5979 9.8287 9.8287 10.5924 10.5924 10.6076 10.6076 10.7448 10.7448 11.0689 11.0689 11.2962 11.2962 11.6448 11.6448 11.8703 11.8703 11.9930 11.9930 13.0080 13.0080 13.6526 13.6526 13.8221 13.8221 14.0111 14.0111 14.1422 14.1422 14.5392 14.5392 14.7829 14.7829 15.0054 15.0054 15.1629 15.1629 15.1772 15.1772 15.2254 15.2254 15.6702 15.6702 15.8738 15.8738 15.8901 15.8901 16.0388 16.0388 16.8606 16.8606 16.8627 16.8627 18.6944 18.6944 18.7154 18.7154 20.6666 20.6666 20.8885 20.8885 21.6285 21.6285 21.6380 21.6380 k = 0.0000 0.0000 0.0121 ( 3789 PWs) bands (ev): 2.8972 2.8972 3.6454 3.6454 3.7281 3.7281 5.5697 5.5697 5.6775 5.6775 5.7711 5.7711 6.7526 6.7526 7.5920 7.5920 9.5980 9.5980 9.8288 9.8288 10.5890 10.5890 10.6096 10.6096 10.7448 10.7448 11.0690 11.0690 11.2985 11.2985 11.6455 11.6455 11.8721 11.8721 11.9943 11.9943 13.0080 13.0080 13.6533 13.6533 13.8209 13.8209 14.0067 14.0067 14.1436 14.1436 14.5324 14.5324 14.7795 14.7795 15.0020 15.0020 15.1643 15.1643 15.1660 15.1660 15.2232 15.2232 15.6755 15.6755 15.8679 15.8679 15.9067 15.9067 16.0553 16.0553 16.8559 16.8559 16.8681 16.8681 18.6356 18.6356 18.7710 18.7710 20.6612 20.6612 20.8813 20.8813 21.5950 21.5950 21.6361 21.6361 k = 0.0000 0.0000 0.0243 ( 3789 PWs) bands (ev): 2.8986 2.8986 3.6454 3.6454 3.7281 3.7281 5.5699 5.5699 5.6773 5.6773 5.7710 5.7710 6.7393 6.7393 7.6034 7.6034 9.5984 9.5984 9.8288 9.8288 10.5794 10.5794 10.6152 10.6152 10.7446 10.7446 11.0693 11.0693 11.3054 11.3054 11.6477 11.6477 11.8773 11.8773 11.9983 11.9983 13.0080 13.0080 13.6553 13.6553 13.8178 13.8178 13.9933 13.9933 14.1472 14.1472 14.5129 14.5129 14.7694 14.7694 14.9926 14.9926 15.1358 15.1358 15.1564 15.1564 15.2292 15.2292 15.6896 15.6896 15.8550 15.8550 15.9531 15.9531 16.0994 16.0994 16.8507 16.8507 16.8752 16.8752 18.5647 18.5647 18.8326 18.8326 20.6446 20.6446 20.8600 20.8600 21.5287 21.5287 21.6302 21.6302 k = 0.0000 0.0000 0.0364 ( 3785 PWs) bands (ev): 2.9011 2.9011 3.6455 3.6455 3.7280 3.7280 5.5701 5.5701 5.6769 5.6769 5.7708 5.7708 6.7181 6.7181 7.6215 7.6215 9.5989 9.5989 9.8288 9.8288 10.5643 10.5643 10.6239 10.6239 10.7442 10.7442 11.0697 11.0697 11.3164 11.3164 11.6513 11.6513 11.8859 11.8859 12.0051 12.0051 13.0081 13.0081 13.6585 13.6585 13.8134 13.8134 13.9713 13.9713 14.1512 14.1512 14.4834 14.4834 14.7530 14.7530 14.9775 14.9775 15.0945 15.0945 15.1308 15.1308 15.2540 15.2540 15.7088 15.7088 15.8423 15.8423 16.0216 16.0216 16.1628 16.1628 16.8458 16.8458 16.8836 16.8836 18.4911 18.4911 18.8913 18.8913 20.6162 20.6162 20.8255 20.8255 21.4585 21.4585 21.6199 21.6199 k = 0.0000 0.0000 0.0485 ( 3781 PWs) bands (ev): 2.9044 2.9044 3.6456 3.6456 3.7280 3.7280 5.5704 5.5704 5.6763 5.6763 5.7705 5.7705 6.6903 6.6903 7.6450 7.6450 9.5997 9.5997 9.8289 9.8289 10.5442 10.5442 10.6356 10.6356 10.7438 10.7438 11.0703 11.0703 11.3312 11.3312 11.6562 11.6562 11.8980 11.8980 12.0146 12.0146 13.0086 13.0086 13.6625 13.6625 13.8086 13.8086 13.9411 13.9411 14.1528 14.1528 14.4467 14.4467 14.7314 14.7314 14.9563 14.9563 15.0496 15.0496 15.0990 15.0990 15.2885 15.2885 15.7287 15.7287 15.8344 15.8344 16.1047 16.1047 16.2402 16.2402 16.8412 16.8412 16.8937 16.8937 18.4155 18.4155 18.9468 18.9468 20.5754 20.5754 20.7788 20.7788 21.3934 21.3934 21.6047 21.6047 k = 0.0000 0.0000 0.0607 ( 3769 PWs) bands (ev): 2.9087 2.9087 3.6457 3.6457 3.7280 3.7280 5.5708 5.5708 5.6756 5.6756 5.7703 5.7703 6.6572 6.6572 7.6729 7.6729 9.6006 9.6006 9.8290 9.8290 10.5199 10.5199 10.6500 10.6500 10.7432 10.7432 11.0711 11.0711 11.3489 11.3489 11.6625 11.6625 11.9134 11.9134 12.0268 12.0268 13.0097 13.0097 13.6666 13.6666 13.8042 13.8042 13.9037 13.9037 14.1488 14.1488 14.4051 14.4051 14.7069 14.7069 14.9287 14.9287 15.0059 15.0059 15.0694 15.0694 15.3258 15.3258 15.7431 15.7431 15.8370 15.8370 16.1965 16.1965 16.3282 16.3282 16.8368 16.8368 16.9063 16.9063 18.3387 18.3387 18.9995 18.9995 20.5218 20.5218 20.7215 20.7215 21.3364 21.3364 21.5837 21.5837 k = 0.0000 0.0000 0.0728 ( 3757 PWs) bands (ev): 2.9137 2.9137 3.6458 3.6458 3.7279 3.7279 5.5712 5.5712 5.6747 5.6747 5.7699 5.7699 6.6203 6.6203 7.7039 7.7039 9.6018 9.6018 9.8292 9.8292 10.4919 10.4919 10.6667 10.6667 10.7425 10.7425 11.0720 11.0720 11.3692 11.3692 11.6700 11.6700 11.9321 11.9321 12.0418 12.0418 13.0118 13.0118 13.6695 13.6695 13.8008 13.8008 13.8607 13.8607 14.1361 14.1361 14.3604 14.3604 14.6826 14.6826 14.8964 14.8964 14.9657 14.9657 15.0444 15.0444 15.3620 15.3620 15.7468 15.7468 15.8555 15.8555 16.2925 16.2925 16.4243 16.4243 16.8325 16.8325 16.9226 16.9226 18.2614 18.2614 19.0494 19.0494 20.4557 20.4557 20.6548 20.6548 21.2886 21.2886 21.5564 21.5564 k = 0.0000 0.0000 0.0850 ( 3757 PWs) bands (ev): 2.9195 2.9195 3.6459 3.6459 3.7279 3.7279 5.5717 5.5717 5.6736 5.6736 5.7695 5.7695 6.5806 6.5806 7.7369 7.7369 9.6031 9.6031 9.8294 9.8294 10.4612 10.4612 10.6852 10.6852 10.7417 10.7417 11.0730 11.0730 11.3913 11.3913 11.6787 11.6787 11.9540 11.9540 12.0596 12.0596 13.0151 13.0151 13.6687 13.6687 13.7985 13.7985 13.8151 13.8151 14.1123 14.1123 14.3140 14.3140 14.6615 14.6615 14.8625 14.8625 14.9296 14.9296 15.0233 15.0233 15.3951 15.3951 15.7415 15.7415 15.8879 15.8879 16.3883 16.3883 16.5267 16.5267 16.8284 16.8284 16.9446 16.9446 18.1846 18.1846 19.0969 19.0969 20.3780 20.3780 20.5801 20.5801 21.2497 21.2497 21.5222 21.5222 k = 0.0000 0.0000 0.0971 ( 3757 PWs) bands (ev): 2.9259 2.9259 3.6461 3.6461 3.7278 3.7278 5.5722 5.5722 5.6723 5.6723 5.7691 5.7691 6.5392 6.5392 7.7711 7.7711 9.6045 9.6045 9.8296 9.8296 10.4283 10.4283 10.7051 10.7051 10.7409 10.7409 11.0742 11.0742 11.4147 11.4147 11.6885 11.6885 11.9790 11.9790 12.0802 12.0802 13.0201 13.0201 13.6584 13.6584 13.7730 13.7730 13.7972 13.7972 14.0772 14.0772 14.2672 14.2672 14.6452 14.6452 14.8300 14.8300 14.8974 14.8974 15.0044 15.0044 15.4239 15.4239 15.7317 15.7317 15.9293 15.9293 16.4795 16.4795 16.6340 16.6340 16.8243 16.8243 16.9753 16.9753 18.1092 18.1092 19.1423 19.1423 20.2901 20.2901 20.4986 20.4986 21.2188 21.2188 21.4808 21.4808 k = 0.0000 0.0000 0.1092 ( 3777 PWs) bands (ev): 2.9328 2.9328 3.6462 3.6462 3.7277 3.7277 5.5728 5.5728 5.6708 5.6708 5.7686 5.7686 6.4972 6.4972 7.8058 7.8058 9.6060 9.6060 9.8299 9.8299 10.3938 10.3938 10.7259 10.7259 10.7399 10.7399 11.0754 11.0754 11.4390 11.4390 11.6993 11.6993 12.0070 12.0070 12.1036 12.1036 13.0270 13.0270 13.6292 13.6292 13.7434 13.7434 13.7958 13.7958 14.0332 14.0332 14.2219 14.2219 14.6330 14.6330 14.8006 14.8006 14.8686 14.8686 14.9863 14.9863 15.4482 15.4482 15.7201 15.7201 15.9761 15.9761 16.5608 16.5608 16.7453 16.7453 16.8205 16.8205 17.0187 17.0187 18.0364 18.0364 19.1857 19.1857 20.1938 20.1938 20.4115 20.4115 21.1944 21.1944 21.4319 21.4319 k = 0.0000 0.0000 0.1214 ( 3777 PWs) bands (ev): 2.9402 2.9402 3.6464 3.6464 3.7276 3.7276 5.5734 5.5734 5.6692 5.6692 5.7681 5.7681 6.4554 6.4554 7.8404 7.8404 9.6075 9.6075 9.8303 9.8303 10.3585 10.3585 10.7389 10.7389 10.7471 10.7471 11.0767 11.0767 11.4638 11.4638 11.7109 11.7109 12.0378 12.0378 12.1298 12.1298 13.0361 13.0361 13.5807 13.5807 13.7264 13.7264 13.7919 13.7919 13.9850 13.9850 14.1803 14.1803 14.6227 14.6227 14.7752 14.7752 14.8433 14.8433 14.9683 14.9683 15.4684 15.4684 15.7076 15.7076 16.0264 16.0264 16.6273 16.6273 16.8170 16.8170 16.8597 16.8597 17.0786 17.0786 17.9671 17.9671 19.2271 19.2271 20.0905 20.0905 20.3199 20.3199 21.1754 21.1754 21.3758 21.3758 k = 0.0000 0.0000 0.1335 ( 3749 PWs) bands (ev): 2.9478 2.9478 3.6466 3.6466 3.7276 3.7276 5.5741 5.5741 5.6674 5.6674 5.7676 5.7676 6.4143 6.4143 7.8744 7.8744 9.6091 9.6091 9.8308 9.8308 10.3229 10.3229 10.7379 10.7379 10.7682 10.7682 11.0781 11.0781 11.4885 11.4885 11.7233 11.7233 12.0714 12.0714 12.1588 12.1588 13.0473 13.0473 13.5214 13.5214 13.7123 13.7123 13.7804 13.7804 13.9405 13.9405 14.1449 14.1449 14.6118 14.6118 14.7536 14.7536 14.8214 14.8214 14.9497 14.9497 15.4850 15.4850 15.6950 15.6950 16.0782 16.0782 16.6770 16.6770 16.8141 16.8141 16.9768 16.9768 17.1564 17.1564 17.9024 17.9024 19.2665 19.2665 19.9817 19.9817 20.2253 20.2253 21.1605 21.1605 21.3130 21.3130 k = 0.0000 0.0000 0.1456 ( 3757 PWs) bands (ev): 2.9556 2.9556 3.6467 3.6467 3.7275 3.7275 5.5747 5.5747 5.6655 5.6655 5.7671 5.7671 6.3746 6.3746 7.9073 7.9073 9.6107 9.6107 9.8314 9.8314 10.2875 10.2875 10.7368 10.7368 10.7887 10.7887 11.0795 11.0795 11.5128 11.5128 11.7361 11.7361 12.1075 12.1075 12.1907 12.1907 13.0604 13.0604 13.4573 13.4573 13.6946 13.6946 13.7535 13.7535 13.9098 13.9098 14.1182 14.1182 14.5986 14.5986 14.7357 14.7357 14.8024 14.8024 14.9306 14.9306 15.4985 15.4985 15.6824 15.6824 16.1302 16.1302 16.7111 16.7111 16.8120 16.8120 17.0961 17.0961 17.2492 17.2492 17.8437 17.8437 19.3031 19.3031 19.8684 19.8684 20.1291 20.1291 21.1488 21.1488 21.2441 21.2441 k = 0.0000 0.0000 0.1578 ( 3772 PWs) bands (ev): 2.9634 2.9634 3.6469 3.6469 3.7274 3.7274 5.5754 5.5754 5.6633 5.6633 5.7666 5.7666 6.3370 6.3370 7.9388 7.9388 9.6123 9.6123 9.8321 9.8321 10.2527 10.2527 10.7358 10.7358 10.8083 10.8083 11.0809 11.0809 11.5364 11.5364 11.7493 11.7493 12.1460 12.1460 12.2253 12.2253 13.0748 13.0748 13.3908 13.3908 13.6708 13.6708 13.7103 13.7103 13.8961 13.8961 14.1012 14.1012 14.5825 14.5825 14.7210 14.7210 14.7856 14.7856 14.9108 14.9108 15.5097 15.5097 15.6703 15.6703 16.1811 16.1811 16.7330 16.7330 16.8112 16.8112 17.2174 17.2174 17.3521 17.3521 17.7925 17.7925 19.3353 19.3353 19.7515 19.7515 20.0339 20.0339 21.1396 21.1396 21.1702 21.1702 k = 0.0000 0.0000 0.1699 ( 3788 PWs) bands (ev): 2.9711 2.9711 3.6470 3.6470 3.7273 3.7273 5.5760 5.5760 5.6611 5.6611 5.7661 5.7661 6.3017 6.3017 7.9686 7.9686 9.6138 9.6138 9.8330 9.8330 10.2191 10.2191 10.7348 10.7348 10.8267 10.8267 11.0822 11.0822 11.5587 11.5587 11.7625 11.7625 12.1865 12.1865 12.2626 12.2626 13.0891 13.0891 13.3233 13.3233 13.6411 13.6411 13.6590 13.6590 13.8930 13.8930 14.0939 14.0939 14.5643 14.5643 14.7090 14.7090 14.7695 14.7695 14.8905 14.8905 15.5188 15.5188 15.6588 15.6588 16.2298 16.2298 16.7459 16.7459 16.8121 16.8121 17.3402 17.3402 17.4583 17.4583 17.7524 17.7524 19.3599 19.3599 19.6318 19.6318 19.9436 19.9436 21.0923 21.0923 21.1323 21.1323 k = 0.0000 0.0000 0.1820 ( 3788 PWs) bands (ev): 2.9785 2.9785 3.6472 3.6472 3.7272 3.7272 5.5766 5.5766 5.6588 5.6588 5.7656 5.7656 6.2692 6.2692 7.9963 7.9963 9.6153 9.6153 9.8340 9.8340 10.1871 10.1871 10.7338 10.7338 10.8435 10.8435 11.0835 11.0835 11.5796 11.5796 11.7756 11.7756 12.2288 12.2288 12.3025 12.3025 13.1012 13.1012 13.2555 13.2555 13.6071 13.6071 13.6086 13.6086 13.8939 13.8939 14.0945 14.0945 14.5456 14.5456 14.6993 14.6993 14.7528 14.7528 14.8700 14.8700 15.5264 15.5264 15.6480 15.6480 16.2754 16.2754 16.7524 16.7524 16.8144 16.8144 17.4644 17.4644 17.5522 17.5522 17.7362 17.7362 19.3706 19.3706 19.5096 19.5096 19.8650 19.8650 21.0119 21.0119 21.1266 21.1266 k = 0.0000 0.0000 0.1942 ( 3788 PWs) bands (ev): 2.9854 2.9854 3.6473 3.6473 3.7271 3.7271 5.5771 5.5771 5.6565 5.6565 5.7651 5.7651 6.2399 6.2399 8.0216 8.0216 9.6166 9.6166 9.8352 9.8352 10.1573 10.1573 10.7328 10.7328 10.8586 10.8586 11.0847 11.0847 11.5987 11.5987 11.7883 11.7883 12.2723 12.2723 12.3450 12.3450 13.1080 13.1080 13.1879 13.1879 13.5656 13.5656 13.5714 13.5714 13.8949 13.8949 14.1010 14.1010 14.5283 14.5283 14.6915 14.6915 14.7345 14.7345 14.8495 14.8495 15.5326 15.5326 15.6382 15.6382 16.3173 16.3173 16.7548 16.7548 16.8176 16.8176 17.5898 17.5898 17.5949 17.5949 17.7811 17.7811 19.3577 19.3577 19.3856 19.3856 19.8085 19.8085 20.9306 20.9306 21.1220 21.1220 k = 0.0000 0.0000 0.2063 ( 3780 PWs) bands (ev): 2.9918 2.9918 3.6475 3.6475 3.7271 3.7271 5.5776 5.5776 5.6542 5.6542 5.7647 5.7647 6.2140 6.2140 8.0442 8.0442 9.6179 9.6179 9.8366 9.8366 10.1301 10.1301 10.7320 10.7320 10.8718 10.8718 11.0858 11.0858 11.6156 11.6156 11.8002 11.8002 12.3164 12.3164 12.3898 12.3898 13.1060 13.1060 13.1210 13.1210 13.5353 13.5353 13.5362 13.5362 13.8935 13.8935 14.1112 14.1112 14.5143 14.5143 14.6852 14.6852 14.7138 14.7138 14.8297 14.8297 15.5378 15.5378 15.6294 15.6294 16.3546 16.3546 16.7549 16.7549 16.8210 16.8210 17.5897 17.5897 17.7163 17.7163 17.8822 17.8822 19.2601 19.2601 19.3129 19.3129 19.7822 19.7822 20.8500 20.8500 21.1185 21.1185 k = 0.0000 0.0000 0.2185 ( 3780 PWs) bands (ev): 2.9974 2.9974 3.6476 3.6476 3.7270 3.7270 5.5781 5.5781 5.6521 5.6521 5.7644 5.7644 6.1918 6.1918 8.0640 8.0640 9.6189 9.6189 9.8380 9.8380 10.1059 10.1059 10.7313 10.7313 10.8831 10.8831 11.0868 11.0868 11.6303 11.6303 11.8110 11.8110 12.3603 12.3603 12.4367 12.4367 13.0552 13.0552 13.0930 13.0930 13.5035 13.5035 13.5204 13.5204 13.8884 13.8884 14.1233 14.1233 14.5053 14.5053 14.6803 14.6803 14.6909 14.6909 14.8110 14.8110 15.5420 15.5420 15.6217 15.6217 16.3871 16.3871 16.7540 16.7540 16.8240 16.8240 17.5739 17.5739 17.8436 17.8436 18.0006 18.0006 19.1333 19.1333 19.2385 19.2385 19.7837 19.7837 20.7723 20.7723 21.1157 21.1157 k = 0.0000 0.0000 0.2306 ( 3788 PWs) bands (ev): 3.0022 3.0022 3.6477 3.6477 3.7270 3.7270 5.5784 5.5784 5.6502 5.6502 5.7641 5.7641 6.1735 6.1735 8.0805 8.0805 9.6198 9.6198 9.8395 9.8395 10.0853 10.0853 10.7306 10.7306 10.8923 10.8923 11.0876 11.0876 11.6425 11.6425 11.8204 11.8204 12.4025 12.4025 12.4853 12.4853 12.9910 12.9910 13.0701 13.0701 13.4748 13.4748 13.5204 13.5204 13.8793 13.8793 14.1357 14.1357 14.5025 14.5025 14.6660 14.6660 14.6766 14.6766 14.7941 14.7941 15.5454 15.5454 15.6153 15.6153 16.4142 16.4142 16.7526 16.7526 16.8266 16.8266 17.5587 17.5587 17.9717 17.9717 18.1236 18.1236 19.0056 19.0056 19.1443 19.1443 19.8026 19.8026 20.7001 20.7001 21.1136 21.1136 k = 0.0000 0.0000 0.2427 ( 3788 PWs) bands (ev): 3.0060 3.0060 3.6477 3.6477 3.7269 3.7269 5.5787 5.5787 5.6486 5.6486 5.7639 5.7639 6.1591 6.1591 8.0936 8.0936 9.6205 9.6205 9.8409 9.8409 10.0685 10.0685 10.7301 10.7301 10.8995 10.8995 11.0883 11.0883 11.6521 11.6521 11.8281 11.8281 12.4411 12.4411 12.5348 12.5348 12.9294 12.9294 13.0420 13.0420 13.4513 13.4513 13.5307 13.5307 13.8669 13.8669 14.1469 14.1469 14.5062 14.5062 14.6400 14.6400 14.6738 14.6738 14.7799 14.7799 15.5481 15.5481 15.6101 15.6101 16.4356 16.4356 16.7512 16.7512 16.8286 16.8286 17.5466 17.5466 18.1003 18.1003 18.2467 18.2467 18.8771 18.8771 19.0394 19.0394 19.8290 19.8290 20.6364 20.6364 21.1120 21.1120 k = 0.0000 0.0000 0.2549 ( 3788 PWs) bands (ev): 3.0089 3.0089 3.6478 3.6478 3.7269 3.7269 5.5790 5.5790 5.6474 5.6474 5.7637 5.7637 6.1487 6.1487 8.1031 8.1031 9.6211 9.6211 9.8421 9.8421 10.0562 10.0562 10.7298 10.7298 10.9047 10.9047 11.0888 11.0888 11.6590 11.6590 11.8338 11.8338 12.4731 12.4731 12.5833 12.5833 12.8721 12.8721 13.0149 13.0149 13.4339 13.4339 13.5452 13.5452 13.8536 13.8536 14.1559 14.1559 14.5158 14.5158 14.6141 14.6141 14.6719 14.6719 14.7691 14.7691 15.5500 15.5500 15.6064 15.6064 16.4510 16.4510 16.7502 16.7502 16.8301 16.8301 17.5381 17.5381 18.2292 18.2292 18.3660 18.3660 18.7483 18.7483 18.9315 18.9315 19.8549 19.8549 20.5854 20.5854 21.1110 21.1110 k = 0.0000 0.0000 0.2670 ( 3796 PWs) bands (ev): 3.0106 3.0106 3.6478 3.6478 3.7269 3.7269 5.5791 5.5791 5.6466 5.6466 5.7636 5.7636 6.1425 6.1425 8.1089 8.1089 9.6214 9.6214 9.8429 9.8429 10.0487 10.0487 10.7295 10.7295 10.9078 10.9078 11.0891 11.0891 11.6632 11.6632 11.8373 11.8373 12.4947 12.4947 12.6254 12.6254 12.8247 12.8247 12.9952 12.9952 13.4232 13.4232 13.5575 13.5575 13.8430 13.8430 14.1617 14.1617 14.5291 14.5291 14.5911 14.5911 14.6708 14.6708 14.7622 14.7622 15.5512 15.5512 15.6041 15.6041 16.4604 16.4604 16.7495 16.7495 16.8309 16.8309 17.5330 17.5330 18.3581 18.3581 18.4714 18.4714 18.6194 18.6194 18.8322 18.8322 19.8739 19.8739 20.5519 20.5519 21.1103 21.1103 k = 0.0000 0.0000 0.2791 ( 3804 PWs) bands (ev): 3.0112 3.0112 3.6478 3.6478 3.7269 3.7269 5.5791 5.5791 5.6463 5.6463 5.7635 5.7635 6.1404 6.1404 8.1108 8.1108 9.6214 9.6214 9.8432 9.8432 10.0461 10.0461 10.7295 10.7295 10.9088 10.9088 11.0892 11.0892 11.6646 11.6646 11.8385 11.8385 12.5025 12.5025 12.6450 12.6450 12.8034 12.8034 12.9879 12.9879 13.4196 13.4196 13.5624 13.5624 13.8388 13.8388 14.1637 14.1637 14.5375 14.5375 14.5794 14.5794 14.6705 14.6705 14.7599 14.7599 15.5515 15.5515 15.6033 15.6033 16.4635 16.4635 16.7492 16.7492 16.8312 16.8312 17.5313 17.5313 18.4720 18.4720 18.5055 18.5055 18.5241 18.5241 18.7815 18.7815 19.8809 19.8809 20.5401 20.5401 21.1101 21.1101 k = 0.0000 0.0000 0.2791 ( 3804 PWs) bands (ev): 3.0112 3.0112 3.6478 3.6478 3.7269 3.7269 5.5791 5.5791 5.6463 5.6463 5.7635 5.7635 6.1404 6.1404 8.1108 8.1108 9.6214 9.6214 9.8432 9.8432 10.0461 10.0461 10.7295 10.7295 10.9088 10.9088 11.0892 11.0892 11.6646 11.6646 11.8385 11.8385 12.5025 12.5025 12.6450 12.6450 12.8034 12.8034 12.9879 12.9879 13.4196 13.4196 13.5624 13.5624 13.8388 13.8388 14.1637 14.1637 14.5375 14.5375 14.5794 14.5794 14.6705 14.6705 14.7599 14.7599 15.5515 15.5515 15.6033 15.6033 16.4635 16.4635 16.7492 16.7492 16.8312 16.8312 17.5313 17.5313 18.4720 18.4720 18.5055 18.5055 18.5241 18.5241 18.7815 18.7815 19.8809 19.8809 20.5401 20.5401 21.1101 21.1101 k = 0.0000 0.0125 0.2791 ( 3796 PWs) bands (ev): 3.0120 3.0120 3.6480 3.6480 3.7270 3.7270 5.5795 5.5795 5.6469 5.6469 5.7636 5.7636 6.1419 6.1419 8.1122 8.1122 9.6207 9.6207 9.8419 9.8419 10.0490 10.0490 10.7305 10.7305 10.9097 10.9097 11.0901 11.0901 11.6655 11.6655 11.8379 11.8379 12.5010 12.5010 12.6425 12.6425 12.7981 12.7981 12.9920 12.9920 13.4110 13.4110 13.5613 13.5613 13.8453 13.8453 14.1668 14.1668 14.5301 14.5301 14.5819 14.5819 14.6709 14.6709 14.7645 14.7645 15.5493 15.5493 15.6026 15.6026 16.4623 16.4623 16.7419 16.7419 16.8266 16.8266 17.5305 17.5305 18.4644 18.4644 18.5039 18.5039 18.5274 18.5274 18.7764 18.7764 19.8857 19.8857 20.5426 20.5426 21.1199 21.1199 k = 0.0000 0.0250 0.2791 ( 3792 PWs) bands (ev): 3.0145 3.0145 3.6487 3.6487 3.7274 3.7274 5.5808 5.5808 5.6488 5.6488 5.7638 5.7638 6.1461 6.1461 8.1161 8.1161 9.6186 9.6186 9.8385 9.8385 10.0573 10.0573 10.7335 10.7335 10.9122 10.9122 11.0928 11.0928 11.6681 11.6681 11.8361 11.8361 12.4963 12.4963 12.6349 12.6349 12.7839 12.7839 13.0027 13.0027 13.3870 13.3870 13.5588 13.5588 13.8614 13.8614 14.1762 14.1762 14.5152 14.5152 14.5801 14.5801 14.6770 14.6770 14.7759 14.7759 15.5428 15.5428 15.6006 15.6006 16.4586 16.4586 16.7202 16.7202 16.8129 16.8129 17.5285 17.5285 18.4357 18.4357 18.4854 18.4854 18.5551 18.5551 18.7638 18.7638 19.8994 19.8994 20.5497 20.5497 21.1483 21.1483 k = 0.0000 0.0375 0.2791 ( 3790 PWs) bands (ev): 3.0187 3.0187 3.6498 3.6498 3.7279 3.7279 5.5829 5.5829 5.6518 5.6518 5.7642 5.7642 6.1532 6.1532 8.1227 8.1227 9.6149 9.6149 9.8334 9.8334 10.0706 10.0706 10.7386 10.7386 10.9164 10.9164 11.0973 11.0973 11.6725 11.6725 11.8331 11.8331 12.4878 12.4878 12.6224 12.6224 12.7650 12.7650 13.0167 13.0167 13.3524 13.3524 13.5560 13.5560 13.8802 13.8802 14.1915 14.1915 14.5007 14.5007 14.5669 14.5669 14.6931 14.6931 14.7904 14.7904 15.5319 15.5319 15.5971 15.5971 16.4523 16.4523 16.6850 16.6850 16.7905 16.7905 17.5262 17.5262 18.3784 18.3784 18.4585 18.4585 18.6015 18.6015 18.7516 18.7516 19.9198 19.9198 20.5603 20.5603 21.1931 21.1931 k = 0.0000 0.0500 0.2791 ( 3788 PWs) bands (ev): 3.0246 3.0246 3.6513 3.6513 3.7287 3.7287 5.5857 5.5857 5.6559 5.6559 5.7647 5.7647 6.1633 6.1633 8.1319 8.1319 9.6097 9.6097 9.8274 9.8274 10.0881 10.0881 10.7458 10.7458 10.9222 10.9222 11.1037 11.1037 11.6785 11.6785 11.8290 11.8290 12.4747 12.4747 12.6054 12.6054 12.7448 12.7448 13.0307 13.0307 13.3121 13.3121 13.5532 13.5532 13.8956 13.8956 14.2104 14.2104 14.4908 14.4908 14.5459 14.5459 14.7168 14.7168 14.8055 14.8055 15.5169 15.5169 15.5925 15.5925 16.4436 16.4436 16.6377 16.6377 16.7599 16.7599 17.5240 17.5240 18.2986 18.2986 18.4163 18.4163 18.6610 18.6610 18.7503 18.7503 19.9444 19.9444 20.5723 20.5723 21.2513 21.2513 k = 0.0000 0.0625 0.2791 ( 3780 PWs) bands (ev): 3.0320 3.0320 3.6532 3.6532 3.7297 3.7297 5.5893 5.5893 5.6611 5.6611 5.7653 5.7653 6.1763 6.1763 8.1437 8.1437 9.6028 9.6028 9.8212 9.8212 10.1093 10.1093 10.7549 10.7549 10.9297 10.9297 11.1118 11.1118 11.6858 11.6858 11.8239 11.8239 12.4554 12.4554 12.5859 12.5859 12.7251 12.7251 13.0425 13.0425 13.2704 13.2704 13.5504 13.5504 13.9045 13.9045 14.2277 14.2277 14.4872 14.4872 14.5237 14.5237 14.7450 14.7450 14.8204 14.8204 15.4977 15.4977 15.5867 15.5867 16.4324 16.4324 16.5799 16.5799 16.7219 16.7219 17.5222 17.5222 18.2040 18.2040 18.3538 18.3538 18.7224 18.7224 18.7734 18.7734 19.9711 19.9711 20.5829 20.5829 21.3203 21.3203 k = 0.0000 0.0750 0.2791 ( 3782 PWs) bands (ev): 3.0411 3.0411 3.6555 3.6555 3.7310 3.7310 5.5936 5.5936 5.6673 5.6673 5.7660 5.7660 6.1925 6.1925 8.1580 8.1580 9.5941 9.5941 9.8153 9.8153 10.1336 10.1336 10.7660 10.7660 10.9386 10.9386 11.1216 11.1216 11.6943 11.6943 11.8180 11.8180 12.4288 12.4288 12.5662 12.5662 12.7063 12.7063 13.0496 13.0496 13.2309 13.2309 13.5473 13.5473 13.9065 13.9065 14.2369 14.2369 14.4780 14.4780 14.5179 14.5179 14.7761 14.7761 14.8351 14.8351 15.4744 15.4744 15.5803 15.5803 16.4187 16.4187 16.5132 16.5132 16.6777 16.6777 17.5193 17.5193 18.1007 18.1007 18.2733 18.2733 18.7636 18.7636 18.8398 18.8398 19.9982 19.9982 20.5886 20.5886 21.3976 21.3976 k = 0.0000 0.0875 0.2791 ( 3770 PWs) bands (ev): 3.0517 3.0517 3.6582 3.6582 3.7324 3.7324 5.5985 5.5985 5.6744 5.6744 5.7669 5.7669 6.2118 6.2118 8.1749 8.1749 9.5835 9.5835 9.8100 9.8100 10.1607 10.1607 10.7791 10.7791 10.9491 10.9491 11.1332 11.1332 11.7033 11.7033 11.8115 11.8115 12.3947 12.3947 12.5483 12.5483 12.6880 12.6880 13.0486 13.0486 13.1977 13.1977 13.5439 13.5439 13.9023 13.9023 14.2347 14.2347 14.4540 14.4540 14.5381 14.5381 14.8074 14.8074 14.8522 14.8522 15.4471 15.4471 15.5737 15.5737 16.4023 16.4023 16.4395 16.4395 16.6282 16.6282 17.5121 17.5121 17.9956 17.9956 18.1801 18.1801 18.7994 18.7994 18.9295 18.9295 20.0251 20.0251 20.5866 20.5866 21.4818 21.4818 k = 0.0000 0.1000 0.2791 ( 3772 PWs) bands (ev): 3.0638 3.0638 3.6612 3.6612 3.7340 3.7340 5.6040 5.6040 5.6823 5.6823 5.7680 5.7680 6.2344 6.2344 8.1943 8.1943 9.5710 9.5710 9.8056 9.8056 10.1904 10.1904 10.7941 10.7941 10.9609 10.9609 11.1464 11.1464 11.7120 11.7120 11.8053 11.8053 12.3545 12.3545 12.5326 12.5326 12.6697 12.6697 13.0358 13.0358 13.1748 13.1748 13.5400 13.5400 13.8932 13.8932 14.2218 14.2218 14.4271 14.4271 14.5677 14.5677 14.8311 14.8311 14.8796 14.8796 15.4160 15.4160 15.5675 15.5675 16.3596 16.3596 16.3840 16.3840 16.5744 16.5744 17.4933 17.4933 17.8977 17.8977 18.0792 18.0792 18.8393 18.8393 19.0286 19.0286 20.0511 20.0511 20.5745 20.5745 21.5715 21.5715 k = 0.0000 0.1125 0.2791 ( 3780 PWs) bands (ev): 3.0774 3.0774 3.6645 3.6645 3.7359 3.7359 5.6101 5.6101 5.6909 5.6909 5.7691 5.7691 6.2603 6.2603 8.2161 8.2161 9.5566 9.5566 9.8023 9.8023 10.2223 10.2223 10.8110 10.8110 10.9741 10.9741 11.1613 11.1613 11.7187 11.7187 11.8004 11.8004 12.3103 12.3103 12.5187 12.5187 12.6508 12.6508 13.0111 13.0111 13.1628 13.1628 13.5356 13.5356 13.8803 13.8803 14.2008 14.2008 14.4010 14.4010 14.5979 14.5979 14.8436 14.8436 14.9205 14.9205 15.3813 15.3813 15.5628 15.5628 16.2768 16.2768 16.3620 16.3620 16.5176 16.5176 17.4517 17.4517 17.8178 17.8178 17.9768 17.9768 18.8832 18.8832 19.1336 19.1336 20.0759 20.0759 20.5519 20.5519 21.6659 21.6659 k = 0.0000 0.1250 0.2791 ( 3776 PWs) bands (ev): 3.0924 3.0924 3.6682 3.6682 3.7379 3.7379 5.6166 5.6166 5.7001 5.7001 5.7704 5.7704 6.2897 6.2897 8.2404 8.2404 9.5403 9.5403 9.7999 9.7999 10.2565 10.2565 10.8297 10.8297 10.9886 10.9886 11.1777 11.1777 11.7213 11.7213 11.7988 11.7988 12.2641 12.2641 12.5060 12.5060 12.6309 12.6309 12.9784 12.9784 13.1577 13.1577 13.5306 13.5306 13.8645 13.8645 14.1741 14.1741 14.3768 14.3768 14.6235 14.6235 14.8500 14.8500 14.9677 14.9677 15.3438 15.3438 15.5606 15.5606 16.1914 16.1914 16.3368 16.3368 16.4591 16.4591 17.3786 17.3786 17.7559 17.7559 17.8857 17.8857 18.9301 18.9301 19.2425 19.2425 20.0991 20.0991 20.5193 20.5193 21.7642 21.7642 k = 0.0000 0.1375 0.2791 ( 3796 PWs) bands (ev): 3.1086 3.1086 3.6722 3.6722 3.7400 3.7400 5.6236 5.6236 5.7097 5.7097 5.7718 5.7718 6.3226 6.3226 8.2669 8.2669 9.5220 9.5220 9.7986 9.7986 10.2926 10.2926 10.8503 10.8503 11.0042 11.0042 11.1957 11.1957 11.7177 11.7177 11.8015 11.8015 12.2179 12.2179 12.4940 12.4940 12.6100 12.6100 12.9422 12.9422 13.1552 13.1552 13.5251 13.5251 13.8465 13.8465 14.1431 14.1431 14.3546 14.3546 14.6422 14.6422 14.8529 14.8529 15.0138 15.0138 15.3051 15.3051 15.5625 15.5625 16.1053 16.1053 16.3072 16.3072 16.4009 16.4009 17.2788 17.2788 17.6821 17.6821 17.8345 17.8345 18.9790 18.9790 19.3536 19.3536 20.1202 20.1202 20.4790 20.4790 21.8658 21.8658 k = 0.0000 0.1500 0.2791 ( 3796 PWs) bands (ev): 3.1262 3.1262 3.6764 3.6764 3.7424 3.7424 5.6309 5.6309 5.7197 5.7197 5.7733 5.7733 6.3591 6.3591 8.2957 8.2957 9.5020 9.5020 9.7983 9.7983 10.3307 10.3307 10.8726 10.8726 11.0210 11.0210 11.2152 11.2152 11.7079 11.7079 11.8074 11.8074 12.1737 12.1737 12.4825 12.4825 12.5880 12.5880 12.9048 12.9048 13.1528 13.1528 13.5190 13.5190 13.8269 13.8269 14.1090 14.1090 14.3347 14.3347 14.6532 14.6532 14.8532 14.8532 15.0498 15.0498 15.2692 15.2692 15.5699 15.5699 16.0206 16.0206 16.2702 16.2702 16.3466 16.3466 17.1636 17.1636 17.5838 17.5838 17.8275 17.8275 19.0292 19.0292 19.4648 19.4648 20.1379 20.1379 20.4348 20.4348 21.9700 21.9700 k = 0.0000 0.1625 0.2791 ( 3796 PWs) bands (ev): 3.1448 3.1448 3.6808 3.6808 3.7449 3.7449 5.6386 5.6386 5.7299 5.7299 5.7751 5.7751 6.3993 6.3993 8.3266 8.3266 9.4803 9.4803 9.7989 9.7989 10.3705 10.3705 10.8967 10.8967 11.0388 11.0388 11.2361 11.2361 11.6932 11.6932 11.8137 11.8137 12.1337 12.1337 12.4712 12.4712 12.5652 12.5652 12.8675 12.8675 13.1492 13.1492 13.5125 13.5125 13.8063 13.8063 14.0727 14.0727 14.3168 14.3168 14.6566 14.6566 14.8513 14.8513 15.0631 15.0631 15.2436 15.2436 15.5829 15.5829 15.9402 15.9402 16.2226 16.2226 16.3003 16.3003 17.0417 17.0417 17.4772 17.4772 17.8425 17.8425 19.0802 19.0802 19.5731 19.5731 20.1504 20.1504 20.3928 20.3928 22.0762 22.0762 k = 0.0000 0.1750 0.2791 ( 3792 PWs) bands (ev): 3.1646 3.1646 3.6855 3.6855 3.7476 3.7476 5.6466 5.6466 5.7403 5.7403 5.7770 5.7770 6.4431 6.4431 8.3596 8.3596 9.4569 9.4569 9.8002 9.8002 10.4119 10.4119 10.9224 10.9224 11.0577 11.0577 11.2582 11.2582 11.6739 11.6739 11.8173 11.8173 12.1008 12.1008 12.4598 12.4598 12.5419 12.5419 12.8310 12.8310 13.1438 13.1438 13.5056 13.5056 13.7851 13.7851 14.0348 14.0348 14.3005 14.3005 14.6526 14.6526 14.8470 14.8470 15.0450 15.0450 15.2337 15.2337 15.5977 15.5977 15.8695 15.8695 16.1656 16.1656 16.2617 16.2617 16.9180 16.9180 17.3711 17.3711 17.8685 17.8685 19.1312 19.1312 19.6734 19.6734 20.1539 20.1539 20.3628 20.3628 22.1841 22.1841 k = 0.0000 0.1875 0.2791 ( 3780 PWs) bands (ev): 3.1853 3.1853 3.6902 3.6902 3.7504 3.7504 5.6547 5.6547 5.7506 5.7506 5.7791 5.7791 6.4906 6.4906 8.3945 8.3945 9.4319 9.4319 9.8023 9.8023 10.4547 10.4547 10.9497 10.9497 11.0776 11.0776 11.2816 11.2816 11.6499 11.6499 11.8155 11.8155 12.0778 12.0778 12.4477 12.4477 12.5188 12.5188 12.7957 12.7957 13.1363 13.1363 13.4986 13.4986 13.7636 13.7636 13.9959 13.9959 14.2853 14.2853 14.6417 14.6417 14.8396 14.8396 15.0034 15.0034 15.2309 15.2309 15.6022 15.6022 15.8200 15.8200 16.1035 16.1035 16.2275 16.2275 16.7958 16.7958 17.2695 17.2695 17.9012 17.9012 19.1819 19.1819 19.7567 19.7567 20.1466 20.1466 20.3569 20.3569 22.2934 22.2934 k = 0.0000 0.2000 0.2791 ( 3788 PWs) bands (ev): 3.2069 3.2069 3.6951 3.6951 3.7533 3.7533 5.6630 5.6630 5.7606 5.7606 5.7817 5.7817 6.5417 6.5417 8.4311 8.4311 9.4054 9.4054 9.8051 9.8051 10.4988 10.4988 10.9786 10.9786 11.0984 11.0984 11.3061 11.3061 11.6203 11.6203 11.8075 11.8075 12.0663 12.0663 12.4340 12.4340 12.4973 12.4973 12.7621 12.7621 13.1263 13.1263 13.4916 13.4916 13.7421 13.7421 13.9564 13.9564 14.2708 14.2708 14.6245 14.6245 14.8263 14.8263 14.9524 14.9524 15.2240 15.2240 15.5802 15.5802 15.8038 15.8038 16.0396 16.0396 16.1953 16.1953 16.6774 16.6774 17.1760 17.1760 17.9385 17.9385 19.2319 19.2319 19.8090 19.8090 20.1367 20.1367 20.3821 20.3821 22.4038 22.4038 k = 0.0000 0.2125 0.2791 ( 3788 PWs) bands (ev): 3.2292 3.2292 3.7001 3.7001 3.7564 3.7564 5.6714 5.6714 5.7698 5.7698 5.7853 5.7853 6.5965 6.5965 8.4693 8.4693 9.3776 9.3776 9.8084 9.8084 10.5438 10.5438 11.0089 11.0089 11.1201 11.1201 11.3315 11.3315 11.5841 11.5841 11.7952 11.7952 12.0653 12.0653 12.4175 12.4175 12.4787 12.4787 12.7307 12.7307 13.1140 13.1140 13.4848 13.4848 13.7207 13.7207 13.9167 13.9167 14.2564 14.2564 14.6017 14.6017 14.7995 14.7995 14.9060 14.9060 15.2078 15.2078 15.5360 15.5360 15.8112 15.8112 15.9757 15.9757 16.1645 16.1645 16.5653 16.5653 17.0943 17.0943 17.9792 17.9792 19.2806 19.2806 19.8191 19.8191 20.1358 20.1358 20.4384 20.4384 22.5152 22.5152 k = 0.0000 0.2250 0.2791 ( 3794 PWs) bands (ev): 3.2521 3.2521 3.7051 3.7051 3.7596 3.7596 5.6798 5.6798 5.7770 5.7770 5.7909 5.7909 6.6548 6.6548 8.5088 8.5088 9.3487 9.3487 9.8122 9.8122 10.5896 10.5896 11.0406 11.0406 11.1427 11.1427 11.3576 11.3576 11.5405 11.5405 11.7818 11.7818 12.0721 12.0721 12.3975 12.3975 12.4640 12.4640 12.7021 12.7021 13.0992 13.0992 13.4784 13.4784 13.6995 13.6995 13.8771 13.8771 14.2411 14.2411 14.5743 14.5743 14.7504 14.7504 14.8762 14.8762 15.1798 15.1798 15.4862 15.4862 15.8192 15.8192 15.9134 15.9134 16.1330 16.1330 16.4627 16.4627 17.0290 17.0290 18.0225 18.0225 19.3276 19.3276 19.7932 19.7932 20.1426 20.1426 20.5223 20.5223 22.6275 22.6275 k = 0.0000 0.2375 0.2791 ( 3790 PWs) bands (ev): 3.2754 3.2754 3.7101 3.7101 3.7629 3.7629 5.6882 5.6882 5.7817 5.7817 5.7990 5.7990 6.7167 6.7167 8.5494 8.5494 9.3187 9.3187 9.8165 9.8165 10.6358 10.6358 11.0736 11.0736 11.1661 11.1661 11.3841 11.3841 11.4898 11.4898 11.7702 11.7702 12.0831 12.0831 12.3748 12.3748 12.4523 12.4523 12.6771 12.6771 13.0822 13.0822 13.4725 13.4725 13.6784 13.6784 13.8380 13.8380 14.2239 14.2239 14.5434 14.5434 14.6846 14.6846 14.8596 14.8596 15.1393 15.1393 15.4400 15.4400 15.8102 15.8102 15.8570 15.8570 16.0957 16.0957 16.3742 16.3742 16.9852 16.9852 18.0677 18.0677 19.3722 19.3722 19.7477 19.7477 20.1490 20.1490 20.6265 20.6265 22.7035 22.7035 k = 0.0000 0.2500 0.2791 ( 3786 PWs) bands (ev): 3.2992 3.2992 3.7151 3.7151 3.7664 3.7664 5.6965 5.6965 5.7850 5.7850 5.8085 5.8085 6.7820 6.7820 8.5907 8.5907 9.2879 9.2879 9.8211 9.8211 10.6823 10.6823 11.1077 11.1077 11.1901 11.1901 11.4077 11.4077 11.4361 11.4361 11.7618 11.7618 12.0958 12.0958 12.3510 12.3510 12.4422 12.4422 12.6570 12.6570 13.0632 13.0632 13.4672 13.4672 13.6573 13.6573 13.7996 13.7996 14.2033 14.2033 14.5096 14.5096 14.6129 14.6129 14.8484 14.8484 15.0874 15.0874 15.3998 15.3998 15.7705 15.7705 15.8162 15.8162 16.0448 16.0448 16.3038 16.3038 16.9672 16.9672 18.1143 18.1143 19.4127 19.4127 19.6952 19.6952 20.1512 20.1512 20.7435 20.7435 22.6077 22.6077 k = 0.0000 0.2625 0.2791 ( 3778 PWs) bands (ev): 3.3231 3.3231 3.7199 3.7199 3.7700 3.7700 5.7047 5.7047 5.7878 5.7878 5.8185 5.8185 6.8506 6.8506 8.6325 8.6325 9.2565 9.2565 9.8260 9.8260 10.7286 10.7286 11.1428 11.1428 11.2133 11.2133 11.3677 11.3677 11.4421 11.4421 11.7572 11.7572 12.1079 12.1079 12.3273 12.3273 12.4319 12.4319 12.6431 12.6431 13.0424 13.0424 13.4623 13.4623 13.6360 13.6360 13.7625 13.7625 14.1775 14.1775 14.4713 14.4713 14.5437 14.5437 14.8388 14.8388 15.0268 15.0268 15.3644 15.3644 15.7143 15.7143 15.7786 15.7786 15.9771 15.9771 16.2499 16.2499 16.9765 16.9765 18.1619 18.1619 19.4455 19.4455 19.6452 19.6452 20.1492 20.1492 20.8677 20.8677 22.5154 22.5154 k = 0.0000 0.2750 0.2791 ( 3782 PWs) bands (ev): 3.3470 3.3470 3.7247 3.7247 3.7738 3.7738 5.7126 5.7126 5.7904 5.7904 5.8286 5.8286 6.9224 6.9224 8.6742 8.6742 9.2248 9.2248 9.8311 9.8311 10.7744 10.7744 11.1789 11.1789 11.2284 11.2284 11.3110 11.3110 11.4689 11.4689 11.7567 11.7567 12.1175 12.1175 12.3050 12.3050 12.4204 12.4204 12.6367 12.6367 13.0202 13.0202 13.4578 13.4578 13.6139 13.6139 13.7273 13.7273 14.1446 14.1446 14.4212 14.4212 14.4892 14.4892 14.8292 14.8292 14.9611 14.9611 15.3315 15.3315 15.6552 15.6552 15.7339 15.7339 15.8977 15.8977 16.2057 16.2057 17.0109 17.0109 18.2101 18.2101 19.4601 19.4601 19.6111 19.6111 20.1435 20.1435 20.9951 20.9951 22.4276 22.4276 k = 0.0000 0.2875 0.2791 ( 3786 PWs) bands (ev): 3.3708 3.3708 3.7292 3.7292 3.7777 3.7777 5.7202 5.7202 5.7929 5.7929 5.8386 5.8386 6.9974 6.9974 8.7154 8.7154 9.1932 9.1932 9.8364 9.8364 10.8194 10.8194 11.1981 11.1981 11.2156 11.2156 11.2959 11.2959 11.4962 11.4962 11.7603 11.7603 12.1230 12.1230 12.2849 12.2849 12.4072 12.4072 12.6381 12.6381 12.9970 12.9970 13.4531 13.4531 13.5908 13.5908 13.6948 13.6948 14.1029 14.1029 14.3577 14.3577 14.4546 14.4546 14.8160 14.8160 14.8956 14.8956 15.2990 15.2990 15.5955 15.5955 15.6834 15.6834 15.8127 15.8127 16.1663 16.1663 17.0653 17.0653 18.2584 18.2584 19.4426 19.4426 19.6083 19.6083 20.1349 20.1349 21.1221 21.1221 22.3460 22.3460 k = 0.0000 0.3000 0.2791 ( 3778 PWs) bands (ev): 3.3943 3.3943 3.7336 3.7336 3.7817 3.7817 5.7276 5.7276 5.7953 5.7953 5.8484 5.8484 7.0753 7.0753 8.7553 8.7553 9.1620 9.1620 9.8419 9.8419 10.8631 10.8631 11.1294 11.1294 11.2526 11.2526 11.3173 11.3173 11.5231 11.5231 11.7678 11.7678 12.1233 12.1233 12.2676 12.2676 12.3932 12.3932 12.6470 12.6470 12.9731 12.9731 13.4475 13.4475 13.5668 13.5668 13.6658 13.6658 14.0522 14.0522 14.2912 14.2912 14.4315 14.4315 14.7847 14.7847 14.8467 14.8467 15.2655 15.2655 15.5350 15.5350 15.6303 15.6303 15.7261 15.7261 16.1302 16.1302 17.1342 17.1342 18.3065 18.3065 19.4019 19.4019 19.6289 19.6289 20.1243 20.1243 21.2447 21.2447 22.2736 22.2736 k = 0.0000 0.3125 0.2791 ( 3774 PWs) bands (ev): 3.4174 3.4174 3.7378 3.7378 3.7858 3.7858 5.7346 5.7346 5.7978 5.7978 5.8580 5.8580 7.1561 7.1561 8.7931 8.7931 9.1317 9.1317 9.8473 9.8473 10.9049 10.9049 11.0525 11.0525 11.2896 11.2896 11.3459 11.3459 11.5494 11.5494 11.7794 11.7794 12.1183 12.1183 12.2527 12.2527 12.3797 12.3797 12.6619 12.6619 12.9494 12.9494 13.4395 13.4395 13.5431 13.5431 13.6405 13.6405 13.9933 13.9933 14.2271 14.2271 14.4150 14.4150 14.7237 14.7237 14.8273 14.8273 15.2301 15.2301 15.4733 15.4733 15.5770 15.5770 15.6402 15.6402 16.0977 16.0977 17.2128 17.2128 18.3540 18.3540 19.3537 19.3537 19.6573 19.6573 20.1124 20.1124 21.3568 21.3568 22.2153 22.2153 k = 0.0000 0.3250 0.2791 ( 3778 PWs) bands (ev): 3.4398 3.4398 3.7417 3.7417 3.7901 3.7901 5.7412 5.7412 5.8001 5.8001 5.8673 5.8673 7.2395 7.2395 8.8276 8.8276 9.1032 9.1032 9.8527 9.8527 10.9372 10.9372 10.9804 10.9804 11.3261 11.3261 11.3772 11.3772 11.5749 11.5749 11.7950 11.7950 12.1085 12.1085 12.2385 12.2385 12.3686 12.3686 12.6811 12.6811 12.9264 12.9264 13.4264 13.4264 13.5225 13.5225 13.6186 13.6186 13.9290 13.9290 14.1666 14.1666 14.4023 14.4023 14.6537 14.6537 14.8184 14.8184 15.1923 15.1923 15.4104 15.4104 15.5253 15.5253 15.5565 15.5565 16.0689 16.0689 17.2972 17.2972 18.4005 18.4005 19.3049 19.3049 19.6869 19.6869 20.1002 20.1002 21.4490 21.4490 22.1803 22.1803 k = 0.0000 0.3375 0.2791 ( 3786 PWs) bands (ev): 3.4615 3.4615 3.7454 3.7454 3.7944 3.7944 5.7474 5.7474 5.8025 5.8025 5.8763 5.8763 7.3253 7.3253 8.8571 8.8571 9.0775 9.0775 9.8579 9.8579 10.8830 10.8830 10.9921 10.9921 11.3612 11.3612 11.4101 11.4101 11.5994 11.5994 11.8144 11.8144 12.0955 12.0955 12.2232 12.2232 12.3613 12.3613 12.7020 12.7020 12.9056 12.9056 13.4059 13.4059 13.5082 13.5082 13.5988 13.5988 13.8625 13.8625 14.1095 14.1095 14.3913 14.3913 14.5837 14.5837 14.8125 14.8125 15.1516 15.1516 15.3472 15.3472 15.4723 15.4723 15.4797 15.4797 16.0440 16.0440 17.3849 17.3849 18.4458 18.4458 19.2577 19.2577 19.7155 19.7155 20.0885 20.0885 21.5085 21.5085 22.1807 22.1807 k = 0.0000 0.3500 0.2791 ( 3790 PWs) bands (ev): 3.4821 3.4821 3.7488 3.7488 3.7987 3.7987 5.7531 5.7531 5.8048 5.8048 5.8849 5.8849 7.4134 7.4134 8.8794 8.8794 9.0561 9.0561 9.8628 9.8628 10.8029 10.8029 11.0283 11.0283 11.3940 11.3940 11.4447 11.4447 11.6230 11.6230 11.8374 11.8374 12.0810 12.0810 12.2055 12.2055 12.3582 12.3582 12.7216 12.7216 12.8892 12.8892 13.3785 13.3785 13.5006 13.5006 13.5796 13.5796 13.7977 13.7977 14.0553 14.0553 14.3785 14.3785 14.5185 14.5185 14.8084 14.8084 15.1076 15.1076 15.2847 15.2847 15.3993 15.3993 15.4300 15.4300 16.0228 16.0228 17.4735 17.4735 18.4893 18.4893 19.2132 19.2132 19.7418 19.7418 20.0781 20.0781 21.5269 21.5269 22.2249 22.2249 k = 0.0000 0.3625 0.2791 ( 3788 PWs) bands (ev): 3.5016 3.5016 3.7520 3.7520 3.8031 3.8031 5.7584 5.7584 5.8071 5.8071 5.8930 5.8930 7.5034 7.5034 8.8919 8.8919 9.0411 9.0411 9.8673 9.8673 10.7232 10.7232 11.0640 11.0640 11.4239 11.4239 11.4807 11.4807 11.6454 11.6454 11.8634 11.8634 12.0663 12.0663 12.1854 12.1854 12.3586 12.3586 12.7357 12.7357 12.8804 12.8804 13.3469 13.3469 13.4977 13.4977 13.5577 13.5577 13.7395 13.7395 14.0037 14.0037 14.3568 14.3568 14.4653 14.4653 14.8057 14.8057 15.0599 15.0599 15.2237 15.2237 15.3303 15.3303 15.3850 15.3850 16.0051 16.0051 17.5614 17.5614 18.5310 18.5310 19.1717 19.1717 19.7651 19.7651 20.0700 20.0700 21.5089 21.5089 22.3079 22.3079 k = 0.0000 0.3750 0.2791 ( 3792 PWs) bands (ev): 3.5199 3.5199 3.7549 3.7549 3.8074 3.8074 5.7632 5.7632 5.8093 5.8093 5.9006 5.9006 7.5950 7.5950 8.8929 8.8929 9.0330 9.0330 9.8713 9.8713 10.6465 10.6465 11.0980 11.0980 11.4506 11.4506 11.5177 11.5177 11.6666 11.6666 11.8914 11.8914 12.0526 12.0526 12.1634 12.1634 12.3610 12.3610 12.7406 12.7406 12.8822 12.8822 13.3139 13.3139 13.4976 13.4976 13.5289 13.5289 13.6938 13.6938 13.9544 13.9544 14.3177 14.3177 14.4329 14.4329 14.8045 14.8045 15.0085 15.0085 15.1644 15.1644 15.2696 15.2696 15.3420 15.3420 15.9904 15.9904 17.6471 17.6471 18.5703 18.5703 19.1334 19.1334 19.7847 19.7847 20.0651 20.0651 21.4672 21.4672 22.4171 22.4171 k = 0.0000 0.3875 0.2791 ( 3796 PWs) bands (ev): 3.5367 3.5367 3.7575 3.7575 3.8117 3.8117 5.7675 5.7675 5.8114 5.8114 5.9077 5.9077 7.6878 7.6878 8.8842 8.8842 9.0290 9.0290 9.8745 9.8745 10.5744 10.5744 11.1300 11.1300 11.4742 11.4742 11.5552 11.5552 11.6866 11.6866 11.9198 11.9198 12.0419 12.0419 12.1401 12.1401 12.3638 12.3638 12.7370 12.7370 12.8938 12.8938 13.2813 13.2813 13.4884 13.4884 13.5010 13.5010 13.6647 13.6647 13.9072 13.9072 14.2656 14.2656 14.4173 14.4173 14.8048 14.8048 14.9545 14.9545 15.1071 15.1071 15.2181 15.2181 15.3010 15.3010 15.9784 15.9784 17.7293 17.7293 18.6071 18.6071 19.0985 19.0985 19.8003 19.8003 20.0639 20.0639 21.4130 21.4130 22.5414 22.5414 k = 0.0000 0.4000 0.2791 ( 3802 PWs) bands (ev): 3.5520 3.5520 3.7599 3.7599 3.8157 3.8157 5.7713 5.7713 5.8134 5.8134 5.9142 5.9142 7.7814 7.7814 8.8698 8.8698 9.0244 9.0244 9.8769 9.8769 10.5086 10.5086 11.1598 11.1598 11.4951 11.4951 11.5925 11.5925 11.7052 11.7052 11.9445 11.9445 12.0374 12.0374 12.1163 12.1163 12.3654 12.3654 12.7291 12.7291 12.9105 12.9105 13.2505 13.2505 13.4433 13.4433 13.5032 13.5032 13.6505 13.6505 13.8623 13.8623 14.2104 14.2104 14.4088 14.4088 14.8061 14.8061 14.8993 14.8993 15.0528 15.0528 15.1753 15.1753 15.2620 15.2620 15.9687 15.9687 17.8069 17.8069 18.6410 18.6410 19.0668 19.0668 19.8119 19.8119 20.0669 20.0669 21.3533 21.3533 22.6739 22.6739 k = 0.0000 0.4125 0.2791 ( 3794 PWs) bands (ev): 3.5657 3.5657 3.7620 3.7620 3.8196 3.8196 5.7747 5.7747 5.8153 5.8153 5.9200 5.9200 7.8751 7.8751 8.8526 8.8526 9.0151 9.0151 9.8783 9.8783 10.4504 10.4504 11.1870 11.1870 11.5137 11.5137 11.6288 11.6288 11.7223 11.7223 11.9591 11.9591 12.0450 12.0450 12.0926 12.0926 12.3645 12.3645 12.7210 12.7210 12.9279 12.9279 13.2228 13.2228 13.3956 13.3956 13.5068 13.5068 13.6467 13.6467 13.8199 13.8199 14.1575 14.1575 14.4028 14.4028 14.8065 14.8065 14.8467 14.8467 15.0030 15.0030 15.1399 15.1399 15.2254 15.2254 15.9608 15.9608 17.8787 17.8787 18.6719 18.6719 19.0385 19.0385 19.8198 19.8198 20.0736 20.0736 21.2925 21.2925 22.8108 22.8108 k = 0.0000 0.4250 0.2791 ( 3790 PWs) bands (ev): 3.5776 3.5776 3.7638 3.7638 3.8232 3.8232 5.7775 5.7775 5.8170 5.8170 5.9252 5.9252 7.9682 7.9682 8.8345 8.8345 8.9992 8.9992 9.8788 9.8788 10.4009 10.4009 11.2115 11.2115 11.5302 11.5302 11.6632 11.6632 11.7377 11.7377 11.9615 11.9615 12.0654 12.0654 12.0699 12.0699 12.3600 12.3600 12.7149 12.7149 12.9433 12.9433 13.1991 13.1991 13.3505 13.3505 13.5107 13.5107 13.6492 13.6492 13.7803 13.7803 14.1092 14.1092 14.3977 14.3977 14.7818 14.7818 14.8221 14.8221 14.9593 14.9593 15.1102 15.1102 15.1915 15.1915 15.9546 15.9546 17.9437 17.9437 18.6996 18.6996 19.0134 19.0134 19.8247 19.8247 20.0833 20.0833 21.2335 21.2335 22.9495 22.9495 k = 0.0000 0.4375 0.2791 ( 3788 PWs) bands (ev): 3.5878 3.5878 3.7654 3.7654 3.8264 3.8264 5.7799 5.7799 5.8185 5.8185 5.9296 5.9296 8.0595 8.0595 8.8158 8.8158 8.9763 8.9763 9.8785 9.8785 10.3606 10.3606 11.2328 11.2328 11.5449 11.5449 11.6950 11.6950 11.7514 11.7514 11.9575 11.9575 12.0475 12.0475 12.0935 12.0935 12.3518 12.3518 12.7117 12.7117 12.9548 12.9548 13.1801 13.1801 13.3106 13.3106 13.5146 13.5146 13.6552 13.6552 13.7449 13.7449 14.0666 14.0666 14.3931 14.3931 14.7342 14.7342 14.8242 14.8242 14.9235 14.9235 15.0849 15.0849 15.1611 15.1611 15.9497 15.9497 18.0008 18.0008 18.7238 18.7238 18.9916 18.9916 19.8274 19.8274 20.0949 20.0949 21.1786 21.1786 23.0880 23.0880 k = 0.0000 0.4500 0.2791 ( 3792 PWs) bands (ev): 3.5962 3.5962 3.7667 3.7667 3.8292 3.8292 5.7819 5.7819 5.8197 5.8197 5.9333 5.9333 8.1474 8.1474 8.7960 8.7960 8.9483 8.9483 9.8776 9.8776 10.3293 10.3293 11.2507 11.2507 11.5579 11.5579 11.7229 11.7229 11.7634 11.7634 11.9518 11.9518 12.0277 12.0277 12.1219 12.1219 12.3405 12.3405 12.7112 12.7112 12.9620 12.9620 13.1660 13.1660 13.2778 13.2778 13.5180 13.5180 13.6607 13.6607 13.7164 13.7164 14.0307 14.0307 14.3890 14.3890 14.6892 14.6892 14.8270 14.8270 14.8978 14.8978 15.0629 15.0629 15.1350 15.1350 15.9460 15.9460 18.0491 18.0491 18.7444 18.7444 18.9731 18.9731 19.8289 19.8289 20.1071 20.1071 21.1300 21.1300 23.2247 23.2247 k = 0.0000 0.4625 0.2791 ( 3792 PWs) bands (ev): 3.6027 3.6027 3.7677 3.7677 3.8314 3.8314 5.7833 5.7833 5.8207 5.8207 5.9362 5.9362 8.2293 8.2293 8.7740 8.7740 8.9189 8.9189 9.8764 9.8764 10.3065 10.3065 11.2649 11.2649 11.5688 11.5688 11.7456 11.7456 11.7739 11.7739 11.9465 11.9465 12.0108 12.0108 12.1482 12.1482 12.3273 12.3273 12.7123 12.7123 12.9652 12.9652 13.1563 13.1563 13.2530 13.2530 13.5207 13.5207 13.6585 13.6585 13.7015 13.7015 14.0021 14.0021 14.3857 14.3857 14.6507 14.6507 14.8254 14.8254 14.8850 14.8850 15.0437 15.0437 15.1141 15.1141 15.9432 15.9432 18.0877 18.0877 18.7612 18.7612 18.9580 18.9580 19.8295 19.8295 20.1185 20.1185 21.0895 21.0895 23.3579 23.3579 k = 0.0000 0.4750 0.2791 ( 3788 PWs) bands (ev): 3.6073 3.6073 3.7685 3.7685 3.8331 3.8331 5.7844 5.7844 5.8214 5.8214 5.9383 5.9383 8.3004 8.3004 8.7492 8.7492 8.8939 8.8939 9.8754 9.8754 10.2911 10.2911 11.2751 11.2751 11.5772 11.5772 11.7614 11.7614 11.7830 11.7830 11.9424 11.9424 11.9977 11.9977 12.1703 12.1703 12.3142 12.3142 12.7142 12.7142 12.9658 12.9658 13.1499 13.1499 13.2364 13.2364 13.5223 13.5223 13.6471 13.6471 13.7015 13.7015 13.9811 13.9811 14.3835 14.3835 14.6210 14.6210 14.8193 14.8193 14.8835 14.8835 15.0277 15.0277 15.0991 15.0991 15.9414 15.9414 18.1159 18.1159 18.7737 18.7737 18.9467 18.9467 19.8297 19.8297 20.1278 20.1278 21.0589 21.0589 23.4843 23.4843 k = 0.0000 0.4875 0.2791 ( 3784 PWs) bands (ev): 3.6101 3.6101 3.7689 3.7689 3.8341 3.8341 5.7850 5.7850 5.8219 5.8219 5.9395 5.9395 8.3523 8.3523 8.7260 8.7260 8.8778 8.8778 9.8746 9.8746 10.2823 10.2823 11.2814 11.2814 11.5825 11.5825 11.7701 11.7701 11.7899 11.7899 11.9398 11.9398 11.9893 11.9893 12.1857 12.1857 12.3039 12.3039 12.7157 12.7157 12.9652 12.9652 13.1462 13.1462 13.2273 13.2273 13.5231 13.5231 13.6370 13.6370 13.7051 13.7051 13.9683 13.9683 14.3823 14.3823 14.6020 14.6020 14.8136 14.8136 14.8864 14.8864 15.0164 15.0164 15.0903 15.0903 15.9403 15.9403 18.1331 18.1331 18.7815 18.7815 18.9395 18.9395 19.8298 19.8298 20.1340 20.1340 21.0399 21.0399 23.5961 23.5961 k = 0.0000 0.5000 0.2791 ( 3784 PWs) bands (ev): 3.6110 3.6110 3.7691 3.7691 3.8344 3.8344 5.7853 5.7853 5.8220 5.8220 5.9399 5.9399 8.3721 8.3721 8.7157 8.7157 8.8724 8.8724 9.8744 9.8744 10.2795 10.2795 11.2834 11.2834 11.5844 11.5844 11.7727 11.7727 11.7926 11.7926 11.9390 11.9390 11.9864 11.9864 12.1914 12.1914 12.2998 12.2998 12.7162 12.7162 12.9649 12.9649 13.1450 13.1450 13.2244 13.2244 13.5232 13.5232 13.6333 13.6333 13.7068 13.7068 13.9640 13.9640 14.3820 14.3820 14.5955 14.5955 14.8114 14.8114 14.8881 14.8881 15.0123 15.0123 15.0873 15.0873 15.9399 15.9399 18.1388 18.1388 18.7842 18.7842 18.9371 18.9371 19.8298 19.8298 20.1361 20.1361 21.0334 21.0334 23.6452 23.6452 k = 0.0000 0.5000 0.2791 ( 3784 PWs) bands (ev): 3.6110 3.6110 3.7691 3.7691 3.8344 3.8344 5.7853 5.7853 5.8220 5.8220 5.9399 5.9399 8.3721 8.3721 8.7157 8.7157 8.8724 8.8724 9.8744 9.8744 10.2795 10.2795 11.2834 11.2834 11.5844 11.5844 11.7727 11.7727 11.7926 11.7926 11.9390 11.9390 11.9864 11.9864 12.1914 12.1914 12.2998 12.2998 12.7162 12.7162 12.9649 12.9649 13.1450 13.1450 13.2244 13.2244 13.5232 13.5232 13.6333 13.6333 13.7068 13.7068 13.9640 13.9640 14.3820 14.3820 14.5955 14.5955 14.8114 14.8114 14.8881 14.8881 15.0123 15.0123 15.0873 15.0873 15.9399 15.9399 18.1388 18.1388 18.7842 18.7842 18.9371 18.9371 19.8298 19.8298 20.1361 20.1361 21.0334 21.0334 23.6452 23.6452 k = 0.0125 0.5000 0.2791 ( 3784 PWs) bands (ev): 3.6115 3.6115 3.7690 3.7690 3.8344 3.8344 5.7851 5.7851 5.8219 5.8219 5.9397 5.9397 8.3720 8.3720 8.7170 8.7170 8.8732 8.8732 9.8731 9.8731 10.2808 10.2808 11.2828 11.2828 11.5847 11.5847 11.7708 11.7708 11.7917 11.7917 11.9378 11.9378 11.9877 11.9877 12.1919 12.1919 12.2995 12.2995 12.7128 12.7128 12.9643 12.9643 13.1344 13.1344 13.2352 13.2352 13.5231 13.5231 13.6376 13.6376 13.7080 13.7080 13.9678 13.9678 14.3815 14.3815 14.5971 14.5971 14.8121 14.8121 14.8877 14.8877 15.0096 15.0096 15.0933 15.0933 15.9395 15.9395 18.1420 18.1420 18.7847 18.7847 18.9350 18.9350 19.8136 19.8136 20.1254 20.1254 21.0622 21.0622 23.4449 23.4449 k = 0.0250 0.5000 0.2791 ( 3780 PWs) bands (ev): 3.6131 3.6131 3.7689 3.7689 3.8344 3.8344 5.7847 5.7847 5.8217 5.8217 5.9391 5.9391 8.3717 8.3717 8.7207 8.7207 8.8757 8.8757 9.8692 9.8692 10.2848 10.2848 11.2810 11.2810 11.5858 11.5858 11.7651 11.7651 11.7889 11.7889 11.9345 11.9345 11.9914 11.9914 12.1935 12.1935 12.2989 12.2989 12.7031 12.7031 12.9608 12.9608 13.1150 13.1150 13.2571 13.2571 13.5228 13.5228 13.6493 13.6493 13.7127 13.7127 13.9787 13.9787 14.3800 14.3800 14.6020 14.6020 14.8144 14.8144 14.8864 14.8864 15.0041 15.0041 15.1086 15.1086 15.9383 15.9383 18.1514 18.1514 18.7862 18.7862 18.9284 18.9284 19.7660 19.7660 20.0998 20.0998 21.1413 21.1413 23.2262 23.2262 k = 0.0375 0.5000 0.2791 ( 3780 PWs) bands (ev): 3.6156 3.6156 3.7687 3.7687 3.8344 3.8344 5.7840 5.7840 5.8213 5.8213 5.9381 5.9381 8.3711 8.3711 8.7268 8.7268 8.8801 8.8801 9.8626 9.8626 10.2914 10.2914 11.2780 11.2780 11.5875 11.5875 11.7562 11.7562 11.7845 11.7845 11.9291 11.9291 11.9968 11.9968 12.1958 12.1958 12.2982 12.2982 12.6884 12.6884 12.9503 12.9503 13.1000 13.1000 13.2806 13.2806 13.5228 13.5228 13.6630 13.6630 13.7253 13.7253 13.9962 13.9962 14.3779 14.3779 14.6098 14.6098 14.8182 14.8182 14.8838 14.8838 14.9997 14.9997 15.1297 15.1297 15.9362 15.9362 18.1669 18.1669 18.7882 18.7882 18.9166 18.9166 19.6924 19.6924 20.0697 20.0697 21.2554 21.2554 23.0069 23.0069 k = 0.0500 0.5000 0.2791 ( 3784 PWs) bands (ev): 3.6191 3.6191 3.7683 3.7683 3.8344 3.8344 5.7829 5.7829 5.8208 5.8208 5.9367 5.9367 8.3704 8.3704 8.7349 8.7349 8.8865 8.8865 9.8534 9.8534 10.3006 10.3006 11.2737 11.2737 11.5897 11.5897 11.7445 11.7445 11.7787 11.7787 11.9219 11.9219 12.0031 12.0031 12.1985 12.1985 12.2979 12.2979 12.6701 12.6701 12.9309 12.9309 13.0937 13.0937 13.3034 13.3034 13.5234 13.5234 13.6722 13.6722 13.7508 13.7508 14.0193 14.0193 14.3755 14.3755 14.6205 14.6205 14.8235 14.8235 14.8799 14.8799 14.9986 14.9986 15.1542 15.1542 15.9334 15.9334 18.1884 18.1884 18.7899 18.7899 18.8986 18.8986 19.6036 19.6036 20.0393 20.0393 21.3907 21.3907 22.7906 22.7906 k = 0.0625 0.5000 0.2791 ( 3792 PWs) bands (ev): 3.6236 3.6236 3.7679 3.7679 3.8344 3.8344 5.7813 5.7813 5.8203 5.8203 5.9350 5.9350 8.3695 8.3695 8.7445 8.7445 8.8955 8.8955 9.8414 9.8414 10.3125 10.3125 11.2682 11.2682 11.5921 11.5921 11.7305 11.7305 11.7719 11.7719 11.9132 11.9132 12.0098 12.0098 12.2007 12.2007 12.2989 12.2989 12.6493 12.6493 12.9051 12.9051 13.0940 13.0940 13.3263 13.3263 13.5250 13.5250 13.6764 13.6764 13.7879 13.7879 14.0469 14.0469 14.3733 14.3733 14.6336 14.6336 14.8304 14.8304 14.8748 14.8748 15.0013 15.0013 15.1810 15.1810 15.9299 15.9299 18.2152 18.2152 18.7878 18.7878 18.8748 18.8748 19.5115 19.5115 20.0081 20.0081 21.5362 21.5362 22.5812 22.5812 k = 0.0750 0.5000 0.2791 ( 3800 PWs) bands (ev): 3.6289 3.6289 3.7674 3.7674 3.8345 3.8345 5.7793 5.7793 5.8198 5.8198 5.9331 5.9331 8.3684 8.3684 8.7551 8.7551 8.9074 8.9074 9.8267 9.8267 10.3270 10.3270 11.2615 11.2615 11.5945 11.5945 11.7146 11.7146 11.7646 11.7646 11.9034 11.9034 12.0162 12.0162 12.2017 12.2017 12.3020 12.3020 12.6270 12.6270 12.8768 12.8768 13.0968 13.0968 13.3502 13.3502 13.5278 13.5278 13.6780 13.6780 13.8322 13.8322 14.0777 14.0777 14.3721 14.3721 14.6487 14.6487 14.8389 14.8389 14.8693 14.8693 15.0076 15.0076 15.2092 15.2092 15.9258 15.9258 18.2467 18.2467 18.7711 18.7711 18.8532 18.8532 19.4262 19.4262 19.9746 19.9746 21.6784 21.6784 22.3875 22.3875 k = 0.0875 0.5000 0.2791 ( 3796 PWs) bands (ev): 3.6351 3.6351 3.7667 3.7667 3.8347 3.8347 5.7766 5.7766 5.8195 5.8195 5.9310 5.9310 8.3672 8.3672 8.7661 8.7661 8.9227 8.9227 9.8094 9.8094 10.3441 10.3441 11.2537 11.2537 11.5960 11.5960 11.6974 11.6974 11.7574 11.7574 11.8927 11.8927 12.0220 12.0220 12.2009 12.2009 12.3081 12.3081 12.6039 12.6039 12.8492 12.8492 13.0995 13.0995 13.3761 13.3761 13.5317 13.5317 13.6788 13.6788 13.8801 13.8801 14.1105 14.1105 14.3724 14.3724 14.6651 14.6651 14.8486 14.8486 14.8648 14.8648 15.0170 15.0170 15.2382 15.2382 15.9212 15.9212 18.2810 18.2810 18.7261 18.7261 18.8463 18.8463 19.3548 19.3548 19.9376 19.9376 21.7829 21.7829 22.2413 22.2413 k = 0.1000 0.5000 0.2791 ( 3796 PWs) bands (ev): 3.6420 3.6420 3.7660 3.7660 3.8350 3.8350 5.7732 5.7732 5.8193 5.8193 5.9287 5.9287 8.3659 8.3659 8.7768 8.7768 8.9420 8.9420 9.7894 9.7894 10.3636 10.3636 11.2446 11.2446 11.5954 11.5954 11.6800 11.6800 11.7507 11.7507 11.8815 11.8815 12.0266 12.0266 12.1980 12.1980 12.3174 12.3174 12.5806 12.5806 12.8240 12.8240 13.1010 13.1010 13.4040 13.4040 13.5368 13.5368 13.6797 13.6797 13.9293 13.9293 14.1439 14.1439 14.3754 14.3754 14.6821 14.6821 14.8559 14.8559 14.8662 14.8662 15.0290 15.0290 15.2674 15.2674 15.9162 15.9162 18.3136 18.3136 18.6609 18.6609 18.8504 18.8504 19.2998 19.2998 19.8962 19.8962 21.7612 21.7612 22.2246 22.2246 k = 0.1125 0.5000 0.2791 ( 3812 PWs) bands (ev): 3.6496 3.6496 3.7651 3.7651 3.8356 3.8356 5.7691 5.7691 5.8194 5.8194 5.9263 5.9263 8.3646 8.3646 8.7867 8.7867 8.9656 8.9656 9.7669 9.7669 10.3853 10.3853 11.2346 11.2346 11.5897 11.5897 11.6652 11.6652 11.7451 11.7451 11.8702 11.8702 12.0297 12.0297 12.1935 12.1935 12.3295 12.3295 12.5578 12.5578 12.8023 12.8023 13.1011 13.1011 13.4335 13.4335 13.5431 13.5431 13.6811 13.6811 13.9780 13.9780 14.1764 14.1764 14.3820 14.3820 14.6984 14.6984 14.8572 14.8572 14.8787 14.8787 15.0429 15.0429 15.2964 15.2964 15.9109 15.9109 18.3318 18.3318 18.5974 18.5974 18.8592 18.8592 19.2596 19.2596 19.8500 19.8500 21.6200 21.6200 22.1904 22.1904 k = 0.1250 0.5000 0.2791 ( 3804 PWs) bands (ev): 3.6577 3.6577 3.7642 3.7642 3.8365 3.8365 5.7643 5.7643 5.8197 5.8197 5.9239 5.9239 8.3633 8.3633 8.7957 8.7957 8.9935 8.9935 9.7421 9.7421 10.4090 10.4090 11.2235 11.2235 11.5752 11.5752 11.6570 11.6570 11.7406 11.7406 11.8591 11.8591 12.0310 12.0310 12.1880 12.1880 12.3431 12.3431 12.5369 12.5369 12.7846 12.7846 13.1004 13.1004 13.4633 13.4633 13.5508 13.5508 13.6835 13.6835 14.0248 14.0248 14.2065 14.2065 14.3930 14.3930 14.7125 14.7125 14.8607 14.8607 14.8956 14.8956 15.0586 15.0586 15.3243 15.3243 15.9055 15.9055 18.3074 18.3074 18.5705 18.5705 18.8703 18.8703 19.2307 19.2307 19.7987 19.7987 21.4448 21.4448 22.0099 22.0099 k = 0.1375 0.5000 0.2791 ( 3808 PWs) bands (ev): 3.6663 3.6663 3.7631 3.7631 3.8378 3.8378 5.7588 5.7588 5.8203 5.8203 5.9216 5.9216 8.3620 8.3620 8.8036 8.8036 9.0255 9.0255 9.7152 9.7152 10.4345 10.4345 11.2116 11.2116 11.5516 11.5516 11.6559 11.6559 11.7374 11.7374 11.8486 11.8486 12.0301 12.0301 12.1823 12.1823 12.3566 12.3566 12.5199 12.5199 12.7710 12.7710 13.0991 13.0991 13.4918 13.4918 13.5604 13.5604 13.6871 13.6871 14.0688 14.0688 14.2334 14.2334 14.4089 14.4089 14.7228 14.7228 14.8692 14.8692 14.9160 14.9160 15.0757 15.0757 15.3508 15.3508 15.9001 15.9001 18.2322 18.2322 18.5934 18.5934 18.8825 18.8825 19.2095 19.2095 19.7422 19.7422 21.2648 21.2648 21.8259 21.8259 k = 0.1500 0.5000 0.2791 ( 3808 PWs) bands (ev): 3.6751 3.6751 3.7619 3.7619 3.8396 3.8396 5.7526 5.7526 5.8211 5.8211 5.9193 5.9193 8.3608 8.3608 8.8105 8.8105 9.0614 9.0614 9.6865 9.6865 10.4614 10.4614 11.1990 11.1990 11.5215 11.5215 11.6597 11.6597 11.7355 11.7355 11.8389 11.8389 12.0267 12.0267 12.1766 12.1766 12.3672 12.3672 12.5101 12.5101 12.7614 12.7614 13.0978 13.0978 13.5166 13.5166 13.5734 13.5734 13.6921 13.6921 14.1091 14.1091 14.2568 14.2568 14.4292 14.4292 14.7284 14.7284 14.8831 14.8831 14.9403 14.9403 15.0941 15.0941 15.3750 15.3750 15.8949 15.8949 18.1321 18.1321 18.6434 18.6434 18.8949 18.8949 19.1931 19.1931 19.6807 19.6807 21.0888 21.0888 21.6453 21.6453 k = 0.1625 0.5000 0.2791 ( 3804 PWs) bands (ev): 3.6840 3.6840 3.7606 3.7606 3.8421 3.8421 5.7458 5.7458 5.8220 5.8220 5.9173 5.9173 8.3596 8.3596 8.8165 8.8165 9.1008 9.1008 9.6564 9.6564 10.4893 10.4893 11.1858 11.1858 11.4871 11.4871 11.6668 11.6668 11.7349 11.7349 11.8301 11.8301 12.0206 12.0206 12.1710 12.1710 12.3717 12.3717 12.5112 12.5112 12.7557 12.7557 13.0968 13.0968 13.5355 13.5355 13.5908 13.5908 13.6986 13.6986 14.1454 14.1454 14.2774 14.2774 14.4523 14.4523 14.7297 14.7297 14.9011 14.9011 14.9691 14.9691 15.1138 15.1138 15.3965 15.3965 15.8901 15.8901 18.0245 18.0245 18.7047 18.7047 18.9063 18.9063 19.1803 19.1803 19.6145 19.6145 20.9208 20.9208 21.4695 21.4695 k = 0.1750 0.5000 0.2791 ( 3812 PWs) bands (ev): 3.6927 3.6927 3.7591 3.7591 3.8454 3.8454 5.7384 5.7384 5.8231 5.8231 5.9154 5.9154 8.3587 8.3587 8.8217 8.8217 9.1429 9.1429 9.6256 9.6256 10.5179 10.5179 11.1721 11.1721 11.4499 11.4499 11.6760 11.6760 11.7357 11.7357 11.8224 11.8224 12.0121 12.0121 12.1649 12.1649 12.3697 12.3697 12.5246 12.5246 12.7534 12.7534 13.0963 13.0963 13.5489 13.5489 13.6114 13.6114 13.7069 13.7069 14.1778 14.1778 14.2960 14.2960 14.4766 14.4766 14.7276 14.7276 14.9219 14.9219 15.0020 15.0020 15.1348 15.1348 15.4148 15.4148 15.8859 15.8859 17.9168 17.9168 18.7695 18.7695 18.9154 18.9154 19.1712 19.1712 19.5444 19.5444 20.7634 20.7634 21.2995 21.2995 k = 0.1875 0.5000 0.2791 ( 3816 PWs) bands (ev): 3.7011 3.7011 3.7575 3.7575 3.8497 3.8497 5.7306 5.7306 5.8243 5.8243 5.9137 5.9137 8.3578 8.3578 8.8261 8.8261 9.1870 9.1870 9.5949 9.5949 10.5467 10.5467 11.1582 11.1582 11.4107 11.4107 11.6869 11.6869 11.7383 11.7383 11.8157 11.8157 12.0015 12.0015 12.1576 12.1576 12.3643 12.3643 12.5483 12.5483 12.7544 12.7544 13.0965 13.0965 13.5588 13.5588 13.6324 13.6324 13.7168 13.7168 14.2068 14.2068 14.3130 14.3130 14.5005 14.5005 14.7229 14.7229 14.9440 14.9440 15.0381 15.0381 15.1571 15.1571 15.4296 15.4296 15.8824 15.8824 17.8127 17.8127 18.8295 18.8295 18.9214 18.9214 19.1687 19.1687 19.4717 19.4717 20.6193 20.6193 21.1362 21.1362 k = 0.2000 0.5000 0.2791 ( 3808 PWs) bands (ev): 3.7088 3.7088 3.7559 3.7559 3.8551 3.8551 5.7224 5.7224 5.8255 5.8255 5.9123 5.9123 8.3572 8.3572 8.8298 8.8298 9.2315 9.2315 9.5658 9.5658 10.5752 10.5752 11.1441 11.1441 11.3702 11.3702 11.6988 11.6988 11.7435 11.7435 11.8101 11.8101 11.9891 11.9891 12.1485 12.1485 12.3591 12.3591 12.5792 12.5792 12.7583 12.7583 13.0973 13.0973 13.5671 13.5671 13.6515 13.6515 13.7280 13.7280 14.2334 14.2334 14.3280 14.3280 14.5232 14.5232 14.7163 14.7163 14.9669 14.9669 15.0754 15.0754 15.1808 15.1808 15.4411 15.4411 15.8799 15.8799 17.7148 17.7148 18.8649 18.8649 18.9314 18.9314 19.1786 19.1786 19.3994 19.3994 20.4908 20.4908 20.9808 20.9808 k = 0.2125 0.5000 0.2791 ( 3808 PWs) bands (ev): 3.7158 3.7158 3.7541 3.7541 3.8619 3.8619 5.7138 5.7138 5.8267 5.8267 5.9112 5.9112 8.3569 8.3569 8.8329 8.8329 9.2735 9.2735 9.5413 9.5413 10.6030 10.6030 11.1299 11.1299 11.3288 11.3288 11.7108 11.7108 11.7519 11.7519 11.8056 11.8056 11.9751 11.9751 12.1373 12.1373 12.3565 12.3565 12.6154 12.6154 12.7648 12.7648 13.0989 13.0989 13.5746 13.5746 13.6682 13.6682 13.7400 13.7400 14.2585 14.2585 14.3401 14.3401 14.5443 14.5443 14.7084 14.7084 14.9902 14.9902 15.1114 15.1114 15.2049 15.2049 15.4508 15.4508 15.8786 15.8786 17.6247 17.6247 18.8552 18.8552 18.9517 18.9517 19.2021 19.2021 19.3375 19.3375 20.3798 20.3798 20.8348 20.8348 k = 0.2250 0.5000 0.2791 ( 3812 PWs) bands (ev): 3.7218 3.7218 3.7522 3.7522 3.8699 3.8699 5.7050 5.7050 5.8278 5.8278 5.9104 5.9104 8.3567 8.3567 8.8354 8.8354 9.3071 9.3071 9.5274 9.5274 10.6295 10.6295 11.1159 11.1159 11.2870 11.2870 11.7221 11.7221 11.7639 11.7639 11.8026 11.8026 11.9600 11.9600 12.1246 12.1246 12.3573 12.3573 12.6558 12.6558 12.7738 12.7738 13.1013 13.1013 13.5816 13.5816 13.6825 13.6825 13.7516 13.7516 14.2829 14.2829 14.3484 14.3484 14.5639 14.5639 14.6997 14.6997 15.0133 15.0133 15.1442 15.1442 15.2266 15.2266 15.4615 15.4615 15.8789 15.8789 17.5436 17.5436 18.8156 18.8156 18.9582 18.9582 19.2003 19.2003 19.3309 19.3309 20.2877 20.2877 20.6999 20.6999 k = 0.2375 0.5000 0.2791 ( 3816 PWs) bands (ev): 3.7268 3.7268 3.7503 3.7503 3.8793 3.8793 5.6960 5.6960 5.8288 5.8288 5.9100 5.9100 8.3568 8.3568 8.8373 8.8373 9.3232 9.3232 9.5334 9.5334 10.6543 10.6543 11.1020 11.1020 11.2453 11.2453 11.7327 11.7327 11.7772 11.7772 11.8032 11.8032 11.9437 11.9437 12.1115 12.1115 12.3614 12.3614 12.6995 12.6995 12.7852 12.7852 13.1043 13.1043 13.5884 13.5884 13.6949 13.6949 13.7621 13.7621 14.3071 14.3071 14.3520 14.3520 14.5819 14.5819 14.6905 14.6905 15.0355 15.0355 15.1729 15.1729 15.2409 15.2409 15.4776 15.4776 15.8811 15.8811 17.4725 17.4725 18.7569 18.7569 18.9381 18.9381 19.1560 19.1560 19.3968 19.3968 20.2149 20.2149 20.5785 20.5785 k = 0.2500 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7308 3.7308 3.7485 3.7485 3.8900 3.8900 5.6870 5.6870 5.8296 5.8296 5.9100 5.9100 8.3572 8.3572 8.8386 8.8386 9.3176 9.3176 9.5634 9.5634 10.6770 10.6770 11.0884 11.0884 11.2038 11.2038 11.7425 11.7425 11.7846 11.7846 11.8144 11.8144 11.9263 11.9263 12.0997 12.0997 12.3683 12.3683 12.7457 12.7457 12.7991 12.7991 13.1079 13.1079 13.5951 13.5951 13.7059 13.7059 13.7707 13.7707 14.3309 14.3309 14.3505 14.3505 14.5987 14.5987 14.6814 14.6814 15.0552 15.0552 15.1969 15.1969 15.2445 15.2445 15.5022 15.5022 15.8861 15.8861 17.4118 17.4118 18.6844 18.6844 18.8877 18.8877 19.1126 19.1126 19.4891 19.4891 20.1607 20.1607 20.4734 20.4734 k = 0.2625 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7336 3.7336 3.7467 3.7467 3.9017 3.9017 5.6779 5.6779 5.8303 5.8303 5.9103 5.9103 8.3579 8.3579 8.8394 8.8394 9.2970 9.2970 9.6108 9.6108 10.6973 10.6973 11.0751 11.0751 11.1631 11.1631 11.7505 11.7505 11.7866 11.7866 11.8352 11.8352 11.9079 11.9079 12.0913 12.0913 12.3773 12.3773 12.7912 12.7912 12.8181 12.8181 13.1121 13.1121 13.6015 13.6015 13.7157 13.7157 13.7771 13.7771 14.3414 14.3414 14.3562 14.3562 14.6144 14.6144 14.6731 14.6731 15.0692 15.0692 15.2121 15.2121 15.2437 15.2437 15.5343 15.5343 15.8950 15.8950 17.3614 17.3614 18.6020 18.6020 18.8130 18.8130 19.0746 19.0746 19.5928 19.5928 20.1235 20.1235 20.3876 20.3876 k = 0.2750 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7353 3.7353 3.7453 3.7453 3.9143 3.9143 5.6688 5.6688 5.8307 5.8307 5.9110 5.9110 8.3589 8.3589 8.8395 8.8395 9.2691 9.2691 9.6681 9.6681 10.7149 10.7149 11.0623 11.0623 11.1232 11.1232 11.7552 11.7552 11.7892 11.7892 11.8589 11.8589 11.8896 11.8896 12.0882 12.0882 12.3878 12.3878 12.8217 12.8217 12.8559 12.8559 13.1169 13.1169 13.6076 13.6076 13.7244 13.7244 13.7814 13.7814 14.3286 14.3286 14.3786 14.3786 14.6289 14.6289 14.6659 14.6659 15.0704 15.0704 15.2114 15.2114 15.2551 15.2551 15.5693 15.5693 15.9095 15.9095 17.3211 17.3211 18.5135 18.5135 18.7238 18.7238 19.0332 19.0332 19.7031 19.7031 20.1014 20.1014 20.3237 20.3237 k = 0.2875 0.5000 0.2791 ( 3816 PWs) bands (ev): 3.7356 3.7356 3.7446 3.7446 3.9276 3.9276 5.6599 5.6599 5.8309 5.8309 5.9121 5.9121 8.3601 8.3601 8.8391 8.8391 9.2381 9.2381 9.7310 9.7310 10.7298 10.7298 11.0499 11.0499 11.0845 11.0845 11.7559 11.7559 11.7935 11.7935 11.8613 11.8613 11.8940 11.8940 12.0925 12.0925 12.3994 12.3994 12.8418 12.8418 12.9075 12.9075 13.1222 13.1222 13.6133 13.6133 13.7320 13.7320 13.7836 13.7836 14.3097 14.3097 14.3999 14.3999 14.6422 14.6422 14.6605 14.6605 15.0507 15.0507 15.2116 15.2116 15.2731 15.2731 15.6018 15.6018 15.9318 15.9318 17.2900 17.2900 18.4219 18.4219 18.6273 18.6273 18.9821 18.9821 19.8170 19.8170 20.0933 20.0933 20.2832 20.2832 k = 0.3000 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7348 3.7348 3.7444 3.7444 3.9413 3.9413 5.6512 5.6512 5.8308 5.8308 5.9135 5.9135 8.3616 8.3616 8.8380 8.8380 9.2060 9.2060 9.7974 9.7974 10.7420 10.7420 11.0373 11.0373 11.0479 11.0479 11.7536 11.7536 11.7971 11.7971 11.8403 11.8403 11.9230 11.9230 12.1054 12.1054 12.4116 12.4116 12.8611 12.8611 12.9622 12.9622 13.1281 13.1281 13.6185 13.6185 13.7383 13.7383 13.7842 13.7842 14.2858 14.2858 14.4188 14.4188 14.6521 14.6521 14.6593 14.6593 15.0103 15.0103 15.2213 15.2213 15.2917 15.2917 15.6276 15.6276 15.9636 15.9636 17.2671 17.2671 18.3297 18.3297 18.5276 18.5276 18.9186 18.9186 19.9290 19.9290 20.1013 20.1013 20.2660 20.2660 k = 0.3125 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7332 3.7332 3.7445 3.7445 3.9553 3.9553 5.6426 5.6426 5.8305 5.8305 5.9151 5.9151 8.3633 8.3633 8.8363 8.8363 9.1741 9.1741 9.8662 9.8662 10.7517 10.7517 11.0102 11.0102 11.0279 11.0279 11.7499 11.7499 11.7969 11.7969 11.8180 11.8180 11.9561 11.9561 12.1270 12.1270 12.4242 12.4242 12.8810 12.8810 13.0180 13.0180 13.1349 13.1349 13.6230 13.6230 13.7429 13.7429 13.7837 13.7837 14.2577 14.2577 14.4341 14.4341 14.6523 14.6523 14.6683 14.6683 14.9571 14.9571 15.2367 15.2367 15.3099 15.3099 15.6446 15.6446 16.0054 16.0054 17.2511 17.2511 18.2390 18.2390 18.4272 18.4272 18.8432 18.8432 20.0214 20.0214 20.1405 20.1405 20.2707 20.2707 k = 0.3250 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7313 3.7313 3.7447 3.7447 3.9694 3.9694 5.6344 5.6344 5.8301 5.8301 5.9170 5.9170 8.3652 8.3652 8.8340 8.8340 9.1431 9.1431 9.9366 9.9366 10.7590 10.7590 10.9764 10.9764 11.0170 11.0170 11.7454 11.7454 11.7837 11.7837 11.8046 11.8046 11.9919 11.9919 12.1563 12.1563 12.4372 12.4372 12.9013 12.9013 13.0726 13.0726 13.1436 13.1436 13.6267 13.6267 13.7453 13.7453 13.7829 13.7829 14.2266 14.2266 14.4443 14.4443 14.6517 14.6517 14.6785 14.6785 14.8980 14.8980 15.2538 15.2538 15.3272 15.3272 15.6532 15.6532 16.0560 16.0560 17.2408 17.2408 18.1515 18.1515 18.3281 18.3281 18.7578 18.7578 20.0701 20.0701 20.2299 20.2299 20.2974 20.2974 k = 0.3375 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7292 3.7292 3.7448 3.7448 3.9833 3.9833 5.6265 5.6265 5.8294 5.8294 5.9191 5.9191 8.3673 8.3673 8.8309 8.8309 9.1135 9.1135 10.0079 10.0079 10.7642 10.7642 10.9442 10.9442 11.0069 11.0069 11.7404 11.7404 11.7592 11.7592 11.7994 11.7994 12.0302 12.0302 12.1917 12.1917 12.4505 12.4505 12.9220 12.9220 13.1187 13.1187 13.1611 13.1611 13.6293 13.6293 13.7448 13.7448 13.7824 13.7824 14.1936 14.1936 14.4475 14.4475 14.6513 14.6513 14.6873 14.6873 14.8394 14.8394 15.2703 15.2703 15.3438 15.3438 15.6550 15.6550 16.1135 16.1135 17.2347 17.2347 18.0685 18.0685 18.2318 18.2318 18.6649 18.6649 20.0994 20.0994 20.3150 20.3150 20.3720 20.3720 k = 0.3500 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7271 3.7271 3.7448 3.7448 3.9970 3.9970 5.6190 5.6190 5.8287 5.8287 5.9212 5.9212 8.3694 8.3694 8.8272 8.8272 9.0858 9.0858 10.0794 10.0794 10.7676 10.7676 10.9141 10.9141 10.9975 10.9975 11.7295 11.7295 11.7379 11.7379 11.7943 11.7943 12.0705 12.0705 12.2315 12.2315 12.4645 12.4645 12.9428 12.9428 13.1403 13.1403 13.2020 13.2020 13.6307 13.6307 13.7414 13.7414 13.7828 13.7828 14.1600 14.1600 14.4409 14.4409 14.6491 14.6491 14.6939 14.6939 14.7889 14.7889 15.2849 15.2849 15.3594 15.3594 15.6519 15.6519 16.1757 16.1757 17.2316 17.2316 17.9910 17.9910 18.1396 18.1396 18.5669 18.5669 20.1261 20.1261 20.3726 20.3726 20.4963 20.4963 k = 0.3625 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7250 3.7250 3.7446 3.7446 4.0101 4.0101 5.6119 5.6119 5.8278 5.8278 5.9235 5.9235 8.3717 8.3717 8.8228 8.8228 9.0602 9.0602 10.1506 10.1506 10.7696 10.7696 10.8862 10.8862 10.9888 10.9888 11.7025 11.7025 11.7318 11.7318 11.7885 11.7885 12.1123 12.1123 12.2737 12.2737 12.4799 12.4799 12.9633 12.9633 13.1501 13.1501 13.2528 13.2528 13.6309 13.6309 13.7357 13.7357 13.7836 13.7836 14.1273 14.1273 14.4211 14.4211 14.6412 14.6412 14.6971 14.6971 14.7564 14.7564 15.2964 15.2964 15.3742 15.3742 15.6458 15.6458 16.2410 16.2410 17.2303 17.2303 17.9195 17.9195 18.0529 18.0529 18.4660 18.4660 20.1535 20.1535 20.4361 20.4361 20.6302 20.6302 k = 0.3750 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7230 3.7230 3.7445 3.7445 4.0227 4.0227 5.6053 5.6053 5.8269 5.8269 5.9257 5.9257 8.3740 8.3740 8.8177 8.8177 9.0371 9.0371 10.2208 10.2208 10.7705 10.7705 10.8608 10.8608 10.9808 10.9808 11.6739 11.6739 11.7271 11.7271 11.7823 11.7823 12.1548 12.1548 12.3157 12.3157 12.4979 12.4979 12.9832 12.9832 13.1573 13.1573 13.3025 13.3025 13.6295 13.6295 13.7286 13.7286 13.7848 13.7848 14.0967 14.0967 14.3860 14.3860 14.6265 14.6265 14.6984 14.6984 14.7451 14.7451 15.3042 15.3042 15.3879 15.3879 15.6384 15.6384 16.3082 16.3082 17.2295 17.2295 17.8546 17.8546 17.9729 17.9729 18.3638 18.3638 20.1818 20.1818 20.5079 20.5079 20.7680 20.7680 k = 0.3875 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7211 3.7211 3.7442 3.7442 4.0345 4.0345 5.5991 5.5991 5.8260 5.8260 5.9279 5.9279 8.3763 8.3763 8.8119 8.8119 9.0165 9.0165 10.2892 10.2892 10.7706 10.7706 10.8380 10.8380 10.9735 10.9735 11.6449 11.6449 11.7227 11.7227 11.7761 11.7761 12.1973 12.1973 12.3548 12.3548 12.5204 12.5204 13.0020 13.0020 13.1636 13.1636 13.3478 13.3478 13.6265 13.6265 13.7208 13.7208 13.7864 13.7864 14.0693 14.0693 14.3373 14.3373 14.6113 14.6113 14.7005 14.7005 14.7456 14.7456 15.3076 15.3076 15.4006 15.4006 15.6309 15.6309 16.3761 16.3761 17.2285 17.2285 17.7967 17.7967 17.9004 17.9004 18.2619 18.2619 20.2104 20.2104 20.5871 20.5871 20.9081 20.9081 k = 0.4000 0.5000 0.2791 ( 3828 PWs) bands (ev): 3.7193 3.7193 3.7439 3.7439 4.0454 4.0454 5.5936 5.5936 5.8250 5.8250 5.9300 5.9300 8.3785 8.3785 8.8057 8.8057 8.9987 8.9987 10.3548 10.3548 10.7700 10.7700 10.8183 10.8183 10.9670 10.9670 11.6158 11.6158 11.7186 11.7186 11.7700 11.7700 12.2390 12.2390 12.3879 12.3879 12.5495 12.5495 13.0193 13.0193 13.1692 13.1692 13.3866 13.3866 13.6216 13.6216 13.7132 13.7132 13.7891 13.7891 14.0459 14.0459 14.2804 14.2804 14.5995 14.5995 14.7031 14.7031 14.7505 14.7505 15.3064 15.3064 15.4121 15.4121 15.6245 15.6245 16.4439 16.4439 17.2264 17.2264 17.7461 17.7461 17.8364 17.8364 18.1614 18.1614 20.2389 20.2389 20.6725 20.6725 21.0499 21.0499 k = 0.4125 0.5000 0.2791 ( 3820 PWs) bands (ev): 3.7177 3.7177 3.7437 3.7437 4.0554 4.0554 5.5886 5.5886 5.8241 5.8241 5.9319 5.9319 8.3806 8.3806 8.7991 8.7991 8.9836 8.9836 10.4165 10.4165 10.7690 10.7690 10.8021 10.8021 10.9611 10.9611 11.5870 11.5870 11.7150 11.7150 11.7644 11.7644 12.2789 12.2789 12.4135 12.4135 12.5860 12.5860 13.0348 13.0348 13.1738 13.1738 13.4173 13.4173 13.6146 13.6146 13.7068 13.7068 13.7938 13.7938 14.0265 14.0265 14.2212 14.2212 14.5910 14.5910 14.7048 14.7048 14.7573 14.7573 15.3011 15.3011 15.4225 15.4225 15.6198 15.6198 16.5105 16.5105 17.2233 17.2233 17.7030 17.7030 17.7810 17.7810 18.0634 18.0634 20.2665 20.2665 20.7627 20.7627 21.1929 21.1929 k = 0.4250 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7163 3.7163 3.7434 3.7434 4.0642 4.0642 5.5842 5.5842 5.8233 5.8233 5.9336 5.9336 8.3825 8.3825 8.7925 8.7925 8.9711 8.9711 10.4727 10.4727 10.7672 10.7672 10.7904 10.7904 10.9561 10.9561 11.5588 11.5588 11.7117 11.7117 11.7593 11.7593 12.3161 12.3161 12.4321 12.4321 12.6282 12.6282 13.0480 13.0480 13.1772 13.1772 13.4391 13.4391 13.6054 13.6054 13.7023 13.7023 13.8003 13.8003 14.0109 14.0109 14.1647 14.1647 14.5848 14.5848 14.7049 14.7049 14.7650 14.7650 15.2922 15.2922 15.4316 15.4316 15.6169 15.6169 16.5748 16.5748 17.2197 17.2197 17.6676 17.6676 17.7342 17.7342 17.9692 17.9692 20.2925 20.2925 20.8562 20.8562 21.3366 21.3366 k = 0.4375 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7151 3.7151 3.7431 3.7431 4.0719 4.0719 5.5804 5.5804 5.8225 5.8225 5.9352 5.9352 8.3842 8.3842 8.7862 8.7862 8.9610 8.9610 10.5217 10.5217 10.7640 10.7640 10.7848 10.7848 10.9517 10.9517 11.5320 11.5320 11.7089 11.7089 11.7549 11.7549 12.3493 12.3493 12.4458 12.4458 12.6732 12.6732 13.0586 13.0586 13.1789 13.1789 13.4528 13.4528 13.5943 13.5943 13.7002 13.7002 13.8069 13.8069 13.9983 13.9983 14.1154 14.1154 14.5801 14.5801 14.7034 14.7034 14.7730 14.7730 15.2812 15.2812 15.4393 15.4393 15.6155 15.6155 16.6349 16.6349 17.2168 17.2168 17.6394 17.6394 17.6954 17.6954 17.8805 17.8805 20.3162 20.3162 20.9510 20.9510 21.4804 21.4804 k = 0.4500 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7140 3.7140 3.7429 3.7429 4.0782 4.0782 5.5773 5.5773 5.8218 5.8218 5.9365 5.9365 8.3857 8.3857 8.7804 8.7804 8.9532 8.9532 10.5615 10.5615 10.7600 10.7600 10.7852 10.7852 10.9482 10.9482 11.5073 11.5073 11.7065 11.7065 11.7511 11.7511 12.3773 12.3773 12.4564 12.4564 12.7176 12.7176 13.0664 13.0664 13.1789 13.1789 13.4601 13.4601 13.5823 13.5823 13.7011 13.7011 13.8096 13.8096 13.9889 13.9889 14.0770 14.0770 14.5765 14.5765 14.7007 14.7007 14.7807 14.7807 15.2694 15.2694 15.4457 15.4457 15.6153 15.6153 16.6889 16.6889 17.2165 17.2165 17.6171 17.6171 17.6639 17.6639 17.7994 17.7994 20.3369 20.3369 21.0443 21.0443 21.6236 21.6236 k = 0.4625 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7132 3.7132 3.7427 3.7427 4.0833 4.0833 5.5748 5.5748 5.8213 5.8213 5.9375 5.9375 8.3869 8.3869 8.7756 8.7756 8.9473 8.9473 10.5908 10.5908 10.7569 10.7569 10.7900 10.7900 10.9454 10.9454 11.4858 11.4858 11.7047 11.7047 11.7482 11.7482 12.3992 12.3992 12.4651 12.4651 12.7583 12.7583 13.0714 13.0714 13.1772 13.1772 13.4633 13.4633 13.5708 13.5708 13.7056 13.7056 13.8042 13.8042 13.9836 13.9836 14.0507 14.0507 14.5738 14.5738 14.6975 14.6975 14.7875 14.7875 15.2582 15.2582 15.4507 15.4507 15.6157 15.6157 16.7342 16.7342 17.2206 17.2206 17.5981 17.5981 17.6395 17.6395 17.7302 17.7302 20.3539 20.3539 21.1320 21.1320 21.7646 21.7646 k = 0.4750 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7126 3.7126 3.7426 3.7426 4.0869 4.0869 5.5731 5.5731 5.8209 5.8209 5.9383 5.9383 8.3877 8.3877 8.7720 8.7720 8.9432 8.9432 10.6095 10.6095 10.7550 10.7550 10.7970 10.7970 10.9434 10.9434 11.4690 11.4690 11.7033 11.7033 11.7461 11.7461 12.4142 12.4142 12.4722 12.4722 12.7918 12.7918 13.0737 13.0737 13.1745 13.1745 13.4644 13.4644 13.5611 13.5611 13.7139 13.7139 13.7906 13.7906 13.9831 13.9831 14.0347 14.0347 14.5719 14.5719 14.6944 14.6944 14.7928 14.7928 15.2492 15.2492 15.4543 15.4543 15.6163 15.6163 16.7683 16.7683 17.2292 17.2292 17.5778 17.5778 17.6232 17.6232 17.6789 17.6789 20.3665 20.3665 21.2073 21.2073 21.9007 21.9007 k = 0.4875 0.5000 0.2791 ( 3832 PWs) bands (ev): 3.7123 3.7123 3.7425 3.7425 4.0891 4.0891 5.5720 5.5720 5.8207 5.8207 5.9387 5.9387 8.3883 8.3883 8.7697 8.7697 8.9409 8.9409 10.6195 10.6195 10.7540 10.7540 10.8032 10.8032 10.9423 10.9423 11.4581 11.4581 11.7025 11.7025 11.7448 11.7448 12.4228 12.4228 12.4772 12.4772 12.8143 12.8143 13.0742 13.0742 13.1721 13.1721 13.4646 13.4646 13.5545 13.5545 13.7253 13.7253 13.7733 13.7733 13.9853 13.9853 14.0260 14.0260 14.5708 14.5708 14.6921 14.6921 14.7963 14.7963 15.2433 15.2433 15.4565 15.4565 15.6168 15.6168 16.7893 16.7893 17.2389 17.2389 17.5568 17.5568 17.6154 17.6154 17.6498 17.6498 20.3742 20.3742 21.2603 21.2603 22.0227 22.0227 k = 0.5000 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7122 3.7122 3.7425 3.7425 4.0898 4.0898 5.5717 5.5717 5.8206 5.8206 5.9389 5.9389 8.3884 8.3884 8.7689 8.7689 8.9401 8.9401 10.6226 10.6226 10.7537 10.7537 10.8056 10.8056 10.9419 10.9419 11.4544 11.4544 11.7023 11.7023 11.7444 11.7444 12.4255 12.4255 12.4790 12.4790 12.8223 12.8223 13.0742 13.0742 13.1712 13.1712 13.4646 13.4646 13.5522 13.5522 13.7331 13.7331 13.7630 13.7630 13.9867 13.9867 14.0230 14.0230 14.5704 14.5704 14.6913 14.6913 14.7975 14.7975 15.2412 15.2412 15.4572 15.4572 15.6170 15.6170 16.7963 16.7963 17.2434 17.2434 17.5472 17.5472 17.6135 17.6135 17.6406 17.6406 20.3769 20.3769 21.2798 21.2798 22.0598 22.0604 k = 0.5000 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7122 3.7122 3.7425 3.7425 4.0898 4.0898 5.5717 5.5717 5.8206 5.8206 5.9389 5.9389 8.3884 8.3884 8.7689 8.7689 8.9401 8.9401 10.6226 10.6226 10.7537 10.7537 10.8056 10.8056 10.9419 10.9419 11.4544 11.4544 11.7023 11.7023 11.7444 11.7444 12.4255 12.4255 12.4790 12.4790 12.8223 12.8223 13.0742 13.0742 13.1712 13.1712 13.4646 13.4646 13.5522 13.5522 13.7331 13.7331 13.7630 13.7630 13.9867 13.9867 14.0230 14.0230 14.5704 14.5704 14.6913 14.6913 14.7975 14.7975 15.2412 15.2412 15.4572 15.4572 15.6170 15.6170 16.7963 16.7963 17.2434 17.2434 17.5472 17.5472 17.6135 17.6135 17.6406 17.6406 20.3769 20.3769 21.2798 21.2798 22.0598 22.0598 k = 0.4912 0.4912 0.2791 ( 3828 PWs) bands (ev): 3.7123 3.7123 3.7425 3.7425 4.0891 4.0891 5.5720 5.5720 5.8207 5.8207 5.9387 5.9387 8.3883 8.3883 8.7697 8.7697 8.9409 8.9409 10.6195 10.6195 10.7540 10.7540 10.8033 10.8033 10.9422 10.9422 11.4580 11.4580 11.7025 11.7025 11.7448 11.7448 12.4229 12.4229 12.4772 12.4772 12.8145 12.8145 13.0739 13.0739 13.1724 13.1724 13.4646 13.4646 13.5545 13.5545 13.7253 13.7253 13.7732 13.7732 13.9853 13.9853 14.0259 14.0259 14.5708 14.5708 14.6921 14.6921 14.7963 14.7963 15.2432 15.2432 15.4565 15.4565 15.6168 15.6168 16.7894 16.7894 17.2390 17.2390 17.5565 17.5565 17.6152 17.6152 17.6500 17.6500 20.3742 20.3742 21.2608 21.2608 22.0242 22.0242 k = 0.4825 0.4825 0.2791 ( 3828 PWs) bands (ev): 3.7126 3.7126 3.7426 3.7426 4.0869 4.0869 5.5731 5.5731 5.8209 5.8209 5.9383 5.9383 8.3877 8.3877 8.7719 8.7719 8.9432 8.9432 10.6089 10.6089 10.7551 10.7551 10.7980 10.7980 10.9434 10.9434 11.4685 11.4685 11.7031 11.7031 11.7462 11.7462 12.4148 12.4148 12.4720 12.4720 12.7931 12.7931 13.0687 13.0687 13.1784 13.1784 13.4651 13.4651 13.5611 13.5611 13.7140 13.7140 13.7908 13.7908 13.9827 13.9827 14.0337 14.0337 14.5719 14.5719 14.6946 14.6946 14.7929 14.7929 15.2492 15.2492 15.4544 15.4544 15.6162 15.6162 16.7692 16.7692 17.2298 17.2298 17.5754 17.5754 17.6208 17.6208 17.6816 17.6816 20.3660 20.3660 21.2108 21.2108 21.9045 21.9045 k = 0.4737 0.4737 0.2791 ( 3832 PWs) bands (ev): 3.7132 3.7132 3.7427 3.7427 4.0833 4.0833 5.5748 5.5748 5.8213 5.8213 5.9375 5.9375 8.3867 8.3867 8.7756 8.7756 8.9472 8.9472 10.5875 10.5875 10.7575 10.7575 10.7944 10.7944 10.9453 10.9453 11.4842 11.4842 11.7037 11.7037 11.7490 11.7490 12.4013 12.4013 12.4638 12.4638 12.7622 12.7622 13.0525 13.0525 13.1913 13.1913 13.4670 13.4670 13.5711 13.5711 13.7056 13.7056 13.8063 13.8063 13.9816 13.9816 14.0462 14.0462 14.5739 14.5739 14.6985 14.6985 14.7877 14.7877 15.2585 15.2585 15.4508 15.4508 15.6154 15.6154 16.7374 16.7374 17.2224 17.2224 17.5914 17.5914 17.6315 17.6315 17.7383 17.7383 20.3511 20.3511 21.1444 21.1444 21.7716 21.7716 k = 0.4649 0.4649 0.2791 ( 3832 PWs) bands (ev): 3.7140 3.7140 3.7429 3.7429 4.0783 4.0783 5.5772 5.5772 5.8218 5.8218 5.9364 5.9364 8.3852 8.3852 8.7805 8.7805 8.9530 8.9530 10.5531 10.5531 10.7609 10.7609 10.7968 10.7968 10.9480 10.9480 11.5032 11.5032 11.7038 11.7038 11.7536 11.7536 12.3823 12.3823 12.4532 12.4532 12.7257 12.7257 13.0249 13.0249 13.2084 13.2084 13.4714 13.4714 13.5836 13.5836 13.7012 13.7012 13.8153 13.8153 13.9839 13.9839 14.0641 14.0641 14.5767 14.5767 14.7041 14.7041 14.7814 14.7814 15.2705 15.2705 15.4459 15.4459 15.6143 15.6143 16.6968 16.6968 17.2207 17.2207 17.6038 17.6038 17.6476 17.6476 17.8138 17.8138 20.3279 20.3279 21.0749 21.0749 21.6349 21.6349 k = 0.4561 0.4561 0.2791 ( 3832 PWs) bands (ev): 3.7149 3.7149 3.7432 3.7432 4.0719 4.0719 5.5802 5.5802 5.8225 5.8225 5.9351 5.9351 8.3829 8.3829 8.7864 8.7864 8.9607 8.9607 10.5063 10.5063 10.7640 10.7640 10.8085 10.8085 10.9513 10.9513 11.5237 11.5237 11.7028 11.7028 11.7604 11.7604 12.3585 12.3585 12.4404 12.4404 12.6862 12.6862 12.9885 12.9885 13.2242 13.2242 13.4790 13.4790 13.5971 13.5971 13.7005 13.7005 13.8169 13.8169 13.9894 13.9894 14.0883 14.0883 14.5805 14.5805 14.7110 14.7110 14.7747 14.7747 15.2843 15.2843 15.4397 15.4397 15.6131 15.6131 16.6509 16.6509 17.2250 17.2250 17.6151 17.6151 17.6689 17.6689 17.9011 17.9011 20.2944 20.2944 21.0118 21.0118 21.4977 21.4977 k = 0.4474 0.4474 0.2791 ( 3818 PWs) bands (ev): 3.7160 3.7160 3.7434 3.7434 4.0641 4.0641 5.5838 5.5838 5.8233 5.8233 5.9334 5.9334 8.3798 8.3798 8.7931 8.7931 8.9707 8.9707 10.4496 10.4496 10.7660 10.7660 10.8293 10.8293 10.9552 10.9552 11.5442 11.5442 11.7007 11.7007 11.7695 11.7695 12.3304 12.3304 12.4253 12.4253 12.6455 12.6455 12.9461 12.9461 13.2349 13.2349 13.4899 13.4899 13.6109 13.6109 13.7029 13.7029 13.8137 13.8137 13.9964 13.9964 14.1189 14.1189 14.5851 14.5851 14.7186 14.7186 14.7693 14.7693 15.2989 15.2989 15.4322 15.4322 15.6119 15.6119 16.6029 16.6029 17.2344 17.2344 17.6269 17.6269 17.6956 17.6956 17.9957 17.9957 20.2495 20.2495 20.9610 20.9610 21.3622 21.3622 k = 0.4386 0.4386 0.2791 ( 3818 PWs) bands (ev): 3.7172 3.7172 3.7438 3.7438 4.0549 4.0549 5.5879 5.5879 5.8242 5.8242 5.9315 5.9315 8.3755 8.3755 8.8005 8.8005 8.9830 8.9830 10.3856 10.3856 10.7676 10.7676 10.8576 10.8576 10.9597 10.9597 11.5636 11.5636 11.6972 11.6972 11.7808 11.7808 12.2991 12.2991 12.4079 12.4079 12.6050 12.6050 12.8998 12.8998 13.2377 13.2377 13.5023 13.5023 13.6248 13.6248 13.7060 13.7060 13.8111 13.8111 14.0032 14.0032 14.1546 14.1546 14.5905 14.5905 14.7252 14.7252 14.7681 14.7681 15.3132 15.3132 15.4237 15.4237 15.6109 15.6109 16.5556 16.5556 17.2475 17.2475 17.6399 17.6399 17.7278 17.7278 18.0950 18.0950 20.1929 20.1929 20.9248 20.9248 21.2302 21.2302 k = 0.4298 0.4298 0.2791 ( 3818 PWs) bands (ev): 3.7185 3.7185 3.7441 3.7441 4.0444 4.0444 5.5925 5.5925 5.8253 5.8253 5.9292 5.9292 8.3696 8.3696 8.8083 8.8083 8.9978 8.9978 10.3165 10.3165 10.7687 10.7687 10.8923 10.8923 10.9646 10.9646 11.5811 11.5811 11.6926 11.6926 11.7942 11.7942 12.2654 12.2654 12.3880 12.3880 12.5656 12.5656 12.8514 12.8514 13.2316 13.2316 13.5132 13.5132 13.6401 13.6401 13.7070 13.7070 13.8146 13.8146 14.0087 14.0087 14.1937 14.1937 14.5964 14.5964 14.7274 14.7274 14.7754 14.7754 15.3261 15.3261 15.4142 15.4142 15.6104 15.6104 16.5113 16.5113 17.2630 17.2630 17.6543 17.6543 17.7652 17.7652 18.1971 18.1971 20.1264 20.1264 20.9009 20.9009 21.1057 21.1057 k = 0.4211 0.4211 0.2791 ( 3818 PWs) bands (ev): 3.7198 3.7198 3.7445 3.7445 4.0327 4.0327 5.5976 5.5976 5.8264 5.8264 5.9266 5.9266 8.3620 8.3620 8.8163 8.8163 9.0153 9.0153 10.2441 10.2441 10.7695 10.7695 10.9321 10.9321 10.9704 10.9704 11.5964 11.5964 11.6868 11.6868 11.8094 11.8094 12.2303 12.2303 12.3657 12.3657 12.5280 12.5280 12.8022 12.8022 13.2164 13.2164 13.5189 13.5189 13.6573 13.6573 13.7058 13.7058 13.8266 13.8266 14.0127 14.0127 14.2346 14.2346 14.6026 14.6026 14.7256 14.7256 14.7921 14.7921 15.3363 15.3363 15.4040 15.4040 15.6107 15.6107 16.4720 16.4720 17.2797 17.2797 17.6700 17.6700 17.8076 17.8076 18.3003 18.3003 20.0525 20.0525 20.8735 20.8735 21.0044 21.0044 k = 0.4123 0.4123 0.2791 ( 3822 PWs) bands (ev): 3.7211 3.7211 3.7448 3.7448 4.0197 4.0197 5.6031 5.6031 5.8276 5.8276 5.9237 5.9237 8.3520 8.3520 8.8244 8.8244 9.0355 9.0355 10.1699 10.1699 10.7699 10.7699 10.9683 10.9683 10.9851 10.9851 11.6089 11.6089 11.6798 11.6798 11.8262 11.8262 12.1946 12.1946 12.3413 12.3413 12.4924 12.4924 12.7538 12.7538 13.1924 13.1924 13.5176 13.5176 13.6708 13.6708 13.7103 13.7103 13.8456 13.8456 14.0147 14.0147 14.2760 14.2760 14.6088 14.6088 14.7226 14.7226 14.8159 14.8159 15.3426 15.3426 15.3939 15.3939 15.6122 15.6122 16.4391 16.4391 17.2971 17.2971 17.6870 17.6870 17.8544 17.8544 18.4035 18.4035 19.9740 19.9740 20.8009 20.8009 20.9676 20.9676 k = 0.4035 0.4035 0.2791 ( 3814 PWs) bands (ev): 3.7223 3.7223 3.7450 3.7450 4.0056 4.0056 5.6089 5.6089 5.8289 5.8289 5.9206 5.9206 8.3394 8.3394 8.8327 8.8327 9.0582 9.0582 10.0950 10.0950 10.7697 10.7697 10.9776 10.9776 11.0316 11.0316 11.6187 11.6187 11.6719 11.6719 11.8443 11.8443 12.1592 12.1592 12.3158 12.3158 12.4583 12.4583 12.7074 12.7074 13.1601 13.1601 13.5098 13.5098 13.6717 13.6717 13.7303 13.7303 13.8690 13.8690 14.0147 14.0147 14.3172 14.3172 14.6146 14.6146 14.7207 14.7207 14.8457 14.8457 15.3434 15.3434 15.3848 15.3848 15.6154 15.6154 16.4139 16.4139 17.3148 17.3148 17.7054 17.7054 17.9045 17.9045 18.5051 18.5051 19.8935 19.8935 20.6965 20.6965 20.9815 20.9815 k = 0.3947 0.3947 0.2791 ( 3810 PWs) bands (ev): 3.7235 3.7235 3.7452 3.7452 3.9905 3.9905 5.6150 5.6150 5.8301 5.8301 5.9171 5.9171 8.3234 8.3234 8.8411 8.8411 9.0835 9.0835 10.0206 10.0206 10.7688 10.7688 10.9828 10.9828 11.0863 11.0863 11.6253 11.6253 11.6633 11.6633 11.8632 11.8632 12.1251 12.1251 12.2904 12.2904 12.4246 12.4246 12.6645 12.6645 13.1202 13.1202 13.4964 13.4964 13.6664 13.6664 13.7587 13.7587 13.8945 13.8945 14.0125 14.0125 14.3572 14.3572 14.6200 14.6200 14.7208 14.7208 14.8805 14.8805 15.3379 15.3379 15.3778 15.3778 15.6207 15.6207 16.3971 16.3971 17.3324 17.3324 17.7251 17.7251 17.9568 17.9568 18.6041 18.6041 19.8128 19.8128 20.5898 20.5898 21.0172 21.0172 k = 0.3860 0.3860 0.2791 ( 3812 PWs) bands (ev): 3.7245 3.7245 3.7451 3.7451 3.9744 3.9744 5.6212 5.6212 5.8314 5.8314 5.9134 5.9134 8.3036 8.3036 8.8498 8.8498 9.1109 9.1109 9.9474 9.9474 10.7673 10.7673 10.9873 10.9873 11.1456 11.1456 11.6279 11.6279 11.6551 11.6551 11.8819 11.8819 12.0932 12.0932 12.2665 12.2665 12.3904 12.3904 12.6265 12.6265 13.0735 13.0735 13.4789 13.4789 13.6598 13.6598 13.7893 13.7893 13.9205 13.9205 14.0087 14.0087 14.3951 14.3951 14.6251 14.6251 14.7239 14.7239 14.9195 14.9195 15.3272 15.3272 15.3725 15.3725 15.6284 15.6284 16.3889 16.3889 17.3499 17.3499 17.7459 17.7459 18.0096 18.0096 18.6991 18.6991 19.7334 19.7334 20.4884 20.4884 21.0676 21.0676 k = 0.3772 0.3772 0.2791 ( 3816 PWs) bands (ev): 3.7254 3.7254 3.7447 3.7447 3.9575 3.9575 5.6275 5.6275 5.8327 5.8327 5.9093 5.9093 8.2795 8.2795 8.8588 8.8588 9.1403 9.1403 9.8764 9.8764 10.7651 10.7651 10.9910 10.9910 11.2089 11.2089 11.6242 11.6242 11.6496 11.6496 11.8990 11.8990 12.0651 12.0651 12.2456 12.2456 12.3546 12.3546 12.5945 12.5945 13.0210 13.0210 13.4581 13.4581 13.6529 13.6529 13.8188 13.8188 13.9439 13.9439 14.0062 14.0062 14.4301 14.4301 14.6300 14.6300 14.7303 14.7303 14.9618 14.9618 15.3141 15.3141 15.3678 15.3678 15.6386 15.6386 16.3893 16.3893 17.3673 17.3673 17.7677 17.7677 18.0610 18.0610 18.7888 18.7888 19.6567 19.6567 20.3955 20.3955 21.1310 21.1310 k = 0.3684 0.3684 0.2791 ( 3820 PWs) bands (ev): 3.7261 3.7261 3.7437 3.7437 3.9400 3.9400 5.6339 5.6339 5.8339 5.8339 5.9050 5.9050 8.2506 8.2506 8.8682 8.8682 9.1712 9.1712 9.8082 9.8082 10.7623 10.7623 10.9939 10.9939 11.2756 11.2756 11.6139 11.6139 11.6474 11.6474 11.9120 11.9120 12.0431 12.0431 12.2293 12.2293 12.3170 12.3170 12.5692 12.5692 12.9636 12.9636 13.4347 13.4347 13.6456 13.6456 13.8446 13.8446 13.9578 13.9578 14.0129 14.0129 14.4609 14.4609 14.6352 14.6352 14.7407 14.7407 15.0057 15.0057 15.3014 15.3014 15.3633 15.3633 15.6513 15.6513 16.3977 16.3977 17.3847 17.3847 17.7904 17.7904 18.1090 18.1090 18.8719 18.8719 19.5842 19.5842 20.3133 20.3133 21.2067 21.2067 k = 0.3596 0.3596 0.2791 ( 3826 PWs) bands (ev): 3.7266 3.7266 3.7421 3.7421 3.9222 3.9222 5.6403 5.6403 5.8350 5.8350 5.9005 5.9005 8.2165 8.2165 8.8781 8.8781 9.2032 9.2032 9.7435 9.7435 10.7594 10.7594 10.9957 10.9957 11.3451 11.3451 11.5994 11.5994 11.6460 11.6460 11.9173 11.9173 12.0303 12.0303 12.2188 12.2188 12.2781 12.2781 12.5507 12.5507 12.9023 12.9023 13.4093 13.4093 13.6378 13.6378 13.8615 13.8615 13.9615 13.9615 14.0338 14.0338 14.4869 14.4869 14.6410 14.6410 14.7551 14.7551 15.0493 15.0493 15.2918 15.2918 15.3594 15.3594 15.6668 15.6668 16.4134 16.4134 17.4021 17.4021 17.8140 17.8140 18.1511 18.1511 18.9464 18.9464 19.5179 19.5179 20.2437 20.2437 21.2942 21.2942 k = 0.3509 0.3509 0.2791 ( 3826 PWs) bands (ev): 3.7270 3.7270 3.7393 3.7393 3.9043 3.9043 5.6466 5.6466 5.8359 5.8359 5.8958 5.8958 8.1768 8.1768 8.8887 8.8887 9.2355 9.2355 9.6830 9.6830 10.7566 10.7566 10.9963 10.9963 11.4168 11.4168 11.5823 11.5823 11.6440 11.6440 11.9135 11.9135 12.0273 12.0273 12.2143 12.2143 12.2403 12.2403 12.5388 12.5388 12.8379 12.8379 13.3822 13.3822 13.6291 13.6291 13.8620 13.8620 13.9689 13.9689 14.0618 14.0618 14.5078 14.5078 14.6473 14.6473 14.7731 14.7731 15.0892 15.0892 15.2886 15.2886 15.3570 15.3570 15.6850 15.6850 16.4355 16.4355 17.4196 17.4196 17.8380 17.8380 18.1849 18.1849 19.0092 19.0092 19.4615 19.4615 20.1887 20.1887 21.3931 21.3931 k = 0.3421 0.3421 0.2791 ( 3830 PWs) bands (ev): 3.7272 3.7272 3.7352 3.7352 3.8868 3.8868 5.6527 5.6527 5.8366 5.8366 5.8910 5.8910 8.1316 8.1316 8.8999 8.8999 9.2671 9.2671 9.6275 9.6275 10.7545 10.7545 10.9954 10.9954 11.4896 11.4896 11.5631 11.5631 11.6409 11.6409 11.9040 11.9040 12.0302 12.0302 12.1955 12.1955 12.2258 12.2258 12.5332 12.5332 12.7715 12.7715 13.3540 13.3540 13.6194 13.6194 13.8447 13.8447 13.9859 13.9859 14.0925 14.0925 14.5243 14.5243 14.6539 14.6539 14.7940 14.7940 15.1216 15.1216 15.2945 15.2945 15.3584 15.3584 15.7062 15.7062 16.4631 16.4631 17.4370 17.4370 17.8624 17.8624 18.2083 18.2083 19.0550 19.0550 19.4208 19.4208 20.1500 20.1500 21.5026 21.5026 k = 0.3333 0.3333 0.2791 ( 3830 PWs) bands (ev): 3.7272 3.7272 3.7291 3.7291 3.8702 3.8702 5.6585 5.6585 5.8369 5.8369 5.8860 5.8860 8.0807 8.0807 8.9118 8.9118 9.2960 9.2960 9.5785 9.5785 10.7537 10.7537 10.9931 10.9931 11.5397 11.5397 11.5641 11.5641 11.6367 11.6367 11.8934 11.8934 12.0341 12.0341 12.1611 12.1611 12.2377 12.2377 12.5341 12.5341 12.7042 12.7042 13.3248 13.3248 13.6085 13.6085 13.8154 13.8154 14.0084 14.0084 14.1243 14.1243 14.5376 14.5376 14.6606 14.6606 14.8161 14.8161 15.1445 15.1445 15.3064 15.3064 15.3690 15.3690 15.7305 15.7305 16.4954 16.4954 17.4545 17.4545 17.8866 17.8866 18.2197 18.2197 19.0764 19.0764 19.4038 19.4038 20.1288 20.1288 21.6219 21.6219 k = 0.3246 0.3246 0.2791 ( 3830 PWs) bands (ev): 3.7202 3.7202 3.7272 3.7272 3.8551 3.8551 5.6641 5.6641 5.8369 5.8369 5.8811 5.8811 8.0244 8.0244 8.9244 8.9244 9.3185 9.3185 9.5392 9.5392 10.7548 10.7548 10.9891 10.9891 11.5168 11.5168 11.6294 11.6294 11.6358 11.6358 11.8850 11.8850 12.0353 12.0353 12.1311 12.1311 12.2572 12.2572 12.5416 12.5416 12.6377 12.6377 13.2950 13.2950 13.5963 13.5963 13.7791 13.7791 14.0324 14.0324 14.1568 14.1568 14.5491 14.5491 14.6672 14.6672 14.8378 14.8378 15.1608 15.1608 15.3152 15.3152 15.3956 15.3956 15.7580 15.7580 16.5315 16.5315 17.4718 17.4718 17.9099 17.9099 18.2188 18.2188 19.0706 19.0706 19.4140 19.4140 20.1257 20.1257 21.7497 21.7497 k = 0.3158 0.3158 0.2791 ( 3818 PWs) bands (ev): 3.7085 3.7085 3.7269 3.7269 3.8421 3.8421 5.6694 5.6694 5.8363 5.8363 5.8763 5.8763 7.9632 7.9632 8.9378 8.9378 9.3275 9.3275 9.5159 9.5159 10.7585 10.7585 10.9833 10.9833 11.4909 11.4909 11.6238 11.6238 11.6999 11.6999 11.8811 11.8811 12.0303 12.0303 12.1110 12.1110 12.2799 12.2799 12.5527 12.5527 12.5780 12.5780 13.2646 13.2646 13.5826 13.5826 13.7386 13.7386 14.0560 14.0560 14.1898 14.1898 14.5602 14.5602 14.6737 14.6737 14.8578 14.8578 15.1748 15.1748 15.3189 15.3189 15.4352 15.4352 15.7890 15.7890 16.5707 16.5707 17.4886 17.4886 17.9310 17.9310 18.2073 18.2073 19.0447 19.0447 19.4448 19.4448 20.1407 20.1407 21.8843 21.8843 k = 0.3070 0.3070 0.2791 ( 3814 PWs) bands (ev): 3.6935 3.6935 3.7264 3.7264 3.8314 3.8314 5.6743 5.6743 5.8351 5.8351 5.8718 5.8718 7.8975 7.8975 8.9517 8.9517 9.3168 9.3168 9.5142 9.5142 10.7654 10.7654 10.9757 10.9757 11.4631 11.4631 11.6155 11.6155 11.7545 11.7545 11.8848 11.8848 12.0186 12.0186 12.1035 12.1035 12.3002 12.3002 12.5157 12.5157 12.5834 12.5834 13.2336 13.2336 13.5673 13.5673 13.6965 13.6965 14.0780 14.0780 14.2234 14.2234 14.5715 14.5715 14.6806 14.6806 14.8750 14.8750 15.1897 15.1897 15.3212 15.3212 15.4807 15.4807 15.8234 15.8234 16.6124 16.6124 17.5046 17.5046 17.9475 17.9475 18.1892 18.1892 19.0080 19.0080 19.4867 19.4867 20.1726 20.1726 22.0229 22.0229 k = 0.2982 0.2982 0.2791 ( 3810 PWs) bands (ev): 3.6754 3.6754 3.7258 3.7258 3.8228 3.8228 5.6787 5.6787 5.8330 5.8330 5.8676 5.8676 7.8279 7.8279 8.9660 8.9660 9.2895 9.2895 9.5303 9.5303 10.7761 10.7761 10.9660 10.9660 11.4338 11.4338 11.6059 11.6059 11.7894 11.7894 11.8993 11.8993 12.0078 12.0078 12.1039 12.1039 12.3072 12.3072 12.4816 12.4816 12.6157 12.6157 13.2020 13.2020 13.5502 13.5502 13.6552 13.6552 14.0976 14.0976 14.2578 14.2578 14.5832 14.5832 14.6887 14.6887 14.8892 14.8892 15.2061 15.2061 15.3245 15.3245 15.5274 15.5274 15.8612 15.8612 16.6561 16.6561 17.5190 17.5190 17.9555 17.9555 18.1713 18.1713 18.9664 18.9664 19.5340 19.5340 20.2195 20.2195 22.1610 22.1610 k = 0.2895 0.2895 0.2791 ( 3810 PWs) bands (ev): 3.6547 3.6547 3.7251 3.7251 3.8161 3.8161 5.6827 5.6827 5.8300 5.8300 5.8639 5.8639 7.7552 7.7552 8.9804 8.9804 9.2535 9.2535 9.5557 9.5557 10.7907 10.7907 10.9544 10.9544 11.4034 11.4034 11.5953 11.5953 11.8025 11.8025 11.9170 11.9170 12.0100 12.0100 12.1043 12.1043 12.2923 12.2923 12.4791 12.4791 12.6583 12.6583 13.1698 13.1698 13.5304 13.5304 13.6178 13.6178 14.1143 14.1143 14.2932 14.2932 14.5952 14.5952 14.6989 14.6989 14.9006 14.9006 15.2232 15.2232 15.3306 15.3306 15.5731 15.5731 15.9019 15.9019 16.7011 16.7011 17.5308 17.5308 17.9503 17.9503 18.1620 18.1620 18.9225 18.9225 19.5840 19.5840 20.2790 20.2790 22.2897 22.2897 k = 0.2807 0.2807 0.2791 ( 3814 PWs) bands (ev): 3.6318 3.6318 3.7241 3.7241 3.8106 3.8106 5.6862 5.6862 5.8261 5.8261 5.8606 5.8606 7.6798 7.6798 8.9940 8.9940 9.2145 9.2145 9.5850 9.5850 10.8097 10.8097 10.9407 10.9407 11.3724 11.3724 11.5839 11.5839 11.8018 11.8018 11.9236 11.9236 12.0319 12.0319 12.0952 12.0952 12.2708 12.2708 12.5012 12.5012 12.7103 12.7103 13.1373 13.1373 13.5075 13.5075 13.5874 13.5874 14.1276 14.1276 14.3298 14.3298 14.6065 14.6065 14.7123 14.7123 14.9097 14.9097 15.2393 15.2393 15.3409 15.3409 15.6163 15.6163 15.9448 15.9448 16.7472 16.7472 17.5385 17.5385 17.9319 17.9319 18.1659 18.1659 18.8775 18.8775 19.6355 19.6355 20.3484 20.3484 22.3937 22.3937 k = 0.2719 0.2719 0.2791 ( 3804 PWs) bands (ev): 3.6073 3.6073 3.7231 3.7231 3.8062 3.8062 5.6891 5.6891 5.8215 5.8215 5.8577 5.8577 7.6026 7.6026 9.0050 9.0050 9.1765 9.1765 9.6154 9.6154 10.8328 10.8328 10.9249 10.9249 11.3411 11.3411 11.5720 11.5720 11.7937 11.7937 11.9212 11.9212 12.0623 12.0623 12.0711 12.0711 12.2637 12.2637 12.5344 12.5344 12.7689 12.7689 13.1061 13.1061 13.4823 13.4823 13.5659 13.5659 14.1377 14.1377 14.3675 14.3675 14.6163 14.6163 14.7298 14.7298 14.9169 14.9169 15.2532 15.2532 15.3566 15.3566 15.6565 15.6565 15.9886 15.9886 16.7938 16.7938 17.5402 17.5402 17.9071 17.9071 18.1809 18.1809 18.8318 18.8318 19.6883 19.6883 20.4249 20.4249 22.4608 22.4608 k = 0.2632 0.2632 0.2791 ( 3808 PWs) bands (ev): 3.5815 3.5815 3.7218 3.7218 3.8023 3.8023 5.6914 5.6914 5.8162 5.8162 5.8549 5.8549 7.5241 7.5241 9.0087 9.0087 9.1450 9.1450 9.6453 9.6453 10.8600 10.8600 10.9070 10.9070 11.3100 11.3100 11.5601 11.5601 11.7815 11.7815 11.9107 11.9107 12.0357 12.0357 12.0957 12.0957 12.2744 12.2744 12.5719 12.5719 12.8268 12.8268 13.0812 13.0812 13.4577 13.4577 13.5534 13.5534 14.1446 14.1446 14.4061 14.4061 14.6244 14.6244 14.7518 14.7518 14.9228 14.9228 15.2650 15.2650 15.3773 15.3773 15.6932 15.6932 16.0319 16.0319 16.8407 16.8407 17.5341 17.5341 17.8848 17.8848 18.2029 18.2029 18.7859 18.7859 19.7422 19.7422 20.5055 20.5055 22.4976 22.4976 k = 0.2544 0.2544 0.2791 ( 3812 PWs) bands (ev): 3.5549 3.5549 3.7204 3.7204 3.7988 3.7988 5.6930 5.6930 5.8106 5.8106 5.8521 5.8521 7.4448 7.4448 8.9976 8.9976 9.1282 9.1282 9.6740 9.6740 10.8847 10.8847 10.8928 10.8928 11.2795 11.2795 11.5483 11.5483 11.7677 11.7677 11.8838 11.8838 12.0123 12.0123 12.1244 12.1244 12.2967 12.2967 12.6106 12.6106 12.8686 12.8686 13.0754 13.0754 13.4363 13.4363 13.5503 13.5503 14.1488 14.1488 14.4452 14.4452 14.6309 14.6309 14.7776 14.7776 14.9277 14.9277 15.2756 15.2756 15.4019 15.4019 15.7260 15.7260 16.0731 16.0731 16.8873 16.8873 17.5201 17.5201 17.8708 17.8708 18.2289 18.2289 18.7399 18.7399 19.7972 19.7972 20.5873 20.5873 22.5178 22.5178 k = 0.2456 0.2456 0.2791 ( 3816 PWs) bands (ev): 3.5276 3.5276 3.7188 3.7188 3.7955 3.7955 5.6940 5.6940 5.8048 5.8048 5.8491 5.8491 7.3655 7.3655 8.9689 8.9689 9.1291 9.1291 9.7009 9.7009 10.8638 10.8638 10.9250 10.9250 11.2501 11.2501 11.5372 11.5372 11.7533 11.7533 11.8384 11.8384 12.0070 12.0070 12.1494 12.1494 12.3260 12.3260 12.6481 12.6481 12.8765 12.8765 13.1032 13.1032 13.4198 13.4198 13.5591 13.5591 14.1507 14.1507 14.4843 14.4843 14.6362 14.6362 14.8061 14.8061 14.9323 14.9323 15.2866 15.2866 15.4292 15.4292 15.7546 15.7546 16.1102 16.1102 16.9333 16.9333 17.5008 17.5008 17.8673 17.8673 18.2571 18.2571 18.6939 18.6939 19.8534 19.8534 20.6673 20.6673 22.5292 22.5292 k = 0.2368 0.2368 0.2791 ( 3816 PWs) bands (ev): 3.4999 3.4999 3.7171 3.7171 3.7922 3.7922 5.6942 5.6942 5.7990 5.7990 5.8459 5.8459 7.2864 7.2864 8.9292 8.9292 9.1412 9.1412 9.7256 9.7256 10.8392 10.8392 10.9606 10.9606 11.2223 11.2223 11.5267 11.5267 11.7368 11.7368 11.7860 11.7860 12.0136 12.0136 12.1710 12.1710 12.3593 12.3593 12.6816 12.6816 12.8593 12.8593 13.1528 13.1528 13.4087 13.4087 13.5842 13.5842 14.1508 14.1508 14.5225 14.5225 14.6413 14.6413 14.8356 14.8356 14.9378 14.9378 15.2990 15.2990 15.4583 15.4583 15.7781 15.7781 16.1420 16.1420 16.9782 16.9782 17.4813 17.4813 17.8730 17.8730 18.2864 18.2864 18.6484 18.6484 19.9108 19.9108 20.7421 20.7421 22.5350 22.5350 k = 0.2281 0.2281 0.2791 ( 3816 PWs) bands (ev): 3.4720 3.4720 3.7152 3.7152 3.7890 3.7890 5.6937 5.6937 5.7932 5.7932 5.8424 5.8424 7.2081 7.2081 8.8845 8.8845 9.1589 9.1589 9.7477 9.7477 10.8123 10.8123 10.9966 10.9966 11.1969 11.1969 11.5171 11.5171 11.7041 11.7041 11.7490 11.7490 12.0259 12.0259 12.1892 12.1892 12.3952 12.3952 12.7043 12.7043 12.8402 12.8402 13.2025 13.2025 13.4029 13.4029 13.6305 13.6305 14.1495 14.1495 14.5584 14.5584 14.6472 14.6472 14.8626 14.8626 14.9470 14.9470 15.3136 15.3136 15.4890 15.4890 15.7956 15.7956 16.1672 16.1672 17.0215 17.0215 17.4669 17.4669 17.8858 17.8858 18.3161 18.3161 18.6034 18.6034 19.9694 19.9694 20.8085 20.8085 22.5363 22.5363 k = 0.2193 0.2193 0.2791 ( 3808 PWs) bands (ev): 3.4439 3.4439 3.7131 3.7131 3.7857 3.7857 5.6925 5.6925 5.7877 5.7877 5.8385 5.8385 7.1310 7.1310 8.8375 8.8375 9.1796 9.1796 9.7672 9.7672 10.7833 10.7833 11.0302 11.0302 11.1759 11.1759 11.5080 11.5080 11.6508 11.6508 11.7363 11.7363 12.0413 12.0413 12.2045 12.2045 12.4322 12.4322 12.7054 12.7054 12.8387 12.8387 13.2417 13.2417 13.4026 13.4026 13.6996 13.6996 14.1475 14.1475 14.5894 14.5894 14.6563 14.6563 14.8820 14.8820 14.9646 14.9646 15.3311 15.3311 15.5213 15.5213 15.8055 15.8055 16.1860 16.1860 17.0629 17.0629 17.4620 17.4620 17.9036 17.9036 18.3454 18.3454 18.5596 18.5596 20.0289 20.0289 20.8632 20.8632 22.5336 22.5336 k = 0.2105 0.2105 0.2791 ( 3804 PWs) bands (ev): 3.4160 3.4160 3.7109 3.7109 3.7824 3.7824 5.6904 5.6904 5.7824 5.7824 5.8341 5.8341 7.0554 7.0554 8.7897 8.7897 9.2019 9.2019 9.7839 9.7839 10.7523 10.7523 11.0552 11.0552 11.1640 11.1640 11.4977 11.4977 11.5967 11.5967 11.7321 11.7321 12.0582 12.0582 12.2167 12.2167 12.4690 12.4690 12.6862 12.6862 12.8580 12.8580 13.2695 13.2695 13.4076 13.4076 13.7880 13.7880 14.1454 14.1454 14.6114 14.6114 14.6721 14.6721 14.8913 14.8913 14.9928 14.9928 15.3516 15.3516 15.5553 15.5553 15.8059 15.8059 16.1993 16.1993 17.1023 17.1023 17.4693 17.4693 17.9248 17.9248 18.3733 18.3733 18.5179 18.5179 20.0891 20.0891 20.9031 20.9031 22.5269 22.5269 k = 0.2018 0.2018 0.2791 ( 3810 PWs) bands (ev): 3.3883 3.3883 3.7085 3.7085 3.7790 3.7790 5.6875 5.6875 5.7774 5.7774 5.8294 5.8294 6.9816 6.9816 8.7417 8.7417 9.2254 9.2254 9.7977 9.7977 10.7195 10.7195 11.0627 11.0627 11.1686 11.1686 11.4796 11.4796 11.5537 11.5537 11.7331 11.7331 12.0753 12.0753 12.2260 12.2260 12.5044 12.5044 12.6608 12.6608 12.8873 12.8873 13.2893 13.2893 13.4179 13.4179 13.8885 13.8885 14.1448 14.1448 14.6235 14.6235 14.6953 14.6953 14.8934 14.8934 15.0287 15.0287 15.3751 15.3751 15.5915 15.5915 15.7951 15.7951 16.2094 16.2094 17.1400 17.1400 17.4894 17.4894 17.9484 17.9484 18.3968 18.3968 18.4812 18.4812 20.1498 20.1498 20.9261 20.9261 22.5154 22.5154 k = 0.1930 0.1930 0.2791 ( 3802 PWs) bands (ev): 3.3608 3.3608 3.7060 3.7060 3.7755 3.7755 5.6838 5.6838 5.7726 5.7726 5.8243 5.8243 6.9100 6.9100 8.6942 8.6942 9.2497 9.2497 9.8089 9.8089 10.6852 10.6852 11.0536 11.0536 11.1869 11.1869 11.4436 11.4436 11.5342 11.5342 11.7388 11.7388 12.0912 12.0912 12.2329 12.2329 12.5366 12.5366 12.6389 12.6389 12.9201 12.9201 13.3044 13.3044 13.4334 13.4334 13.9909 13.9909 14.1505 14.1505 14.6300 14.6300 14.7214 14.7214 14.8917 14.8917 15.0686 15.0686 15.4010 15.4010 15.6303 15.6303 15.7722 15.7722 16.2187 16.2187 17.1768 17.1768 17.5213 17.5213 17.9736 17.9736 18.4025 18.4025 18.4633 18.4633 20.2104 20.2104 20.9314 20.9314 22.4977 22.4977 k = 0.1842 0.1842 0.2791 ( 3802 PWs) bands (ev): 3.3338 3.3338 3.7033 3.7033 3.7720 3.7720 5.6795 5.6795 5.7682 5.7682 5.8189 5.8189 6.8408 6.8408 8.6473 8.6473 9.2745 9.2745 9.8173 9.8173 10.6495 10.6495 11.0368 11.0368 11.2079 11.2079 11.3964 11.3964 11.5327 11.5327 11.7491 11.7491 12.1041 12.1041 12.2386 12.2386 12.5628 12.5628 12.6266 12.6266 12.9543 12.9543 13.3175 13.3175 13.4538 13.4538 14.0692 14.0692 14.1843 14.1843 14.6345 14.6345 14.7473 14.7473 14.8880 14.8880 15.1109 15.1109 15.4284 15.4284 15.6704 15.6704 15.7399 15.7399 16.2292 16.2292 17.2132 17.2132 17.5630 17.5630 17.9999 17.9999 18.3786 18.3786 18.4759 18.4759 20.2706 20.2706 20.9196 20.9196 22.4725 22.4725 k = 0.1754 0.1754 0.2791 ( 3808 PWs) bands (ev): 3.3074 3.3074 3.7004 3.7004 3.7685 3.7685 5.6745 5.6745 5.7638 5.7638 5.8133 5.8133 6.7742 6.7742 8.6015 8.6015 9.2997 9.2997 9.8234 9.8234 10.6128 10.6128 11.0174 11.0174 11.2248 11.2248 11.3476 11.3476 11.5409 11.5409 11.7635 11.7635 12.1120 12.1120 12.2456 12.2456 12.5785 12.5785 12.6291 12.6291 12.9894 12.9894 13.3297 13.3297 13.4787 13.4787 14.0948 14.0948 14.2701 14.2701 14.6388 14.6388 14.7721 14.7721 14.8835 14.8835 15.1545 15.1545 15.4555 15.4555 15.6787 15.6787 15.7341 15.7341 16.2417 16.2417 17.2496 17.2496 17.6123 17.6123 18.0267 18.0267 18.3468 18.3468 18.4979 18.4979 20.3296 20.3296 20.8922 20.8922 22.4389 22.4389 k = 0.1667 0.1667 0.2791 ( 3804 PWs) bands (ev): 3.2815 3.2815 3.6974 3.6974 3.7650 3.7650 5.6691 5.6691 5.7594 5.7594 5.8075 5.8075 6.7105 6.7105 8.5570 8.5570 9.3251 9.3251 9.8273 9.8273 10.5753 10.5753 10.9972 10.9972 11.2345 11.2345 11.3011 11.3011 11.5555 11.5555 11.7810 11.7810 12.1140 12.1140 12.2562 12.2562 12.5867 12.5867 12.6437 12.6437 13.0249 13.0249 13.3418 13.3418 13.5081 13.5081 14.0989 14.0989 14.3717 14.3717 14.6447 14.6447 14.7969 14.7969 14.8790 14.8790 15.1986 15.1986 15.4770 15.4770 15.6368 15.6368 15.7814 15.7814 16.2565 16.2565 17.2860 17.2860 17.6673 17.6673 18.0538 18.0538 18.3162 18.3162 18.5206 18.5206 20.3868 20.3868 20.8520 20.8520 22.3967 22.3967 k = 0.1579 0.1579 0.2791 ( 3802 PWs) bands (ev): 3.2564 3.2564 3.6942 3.6942 3.7615 3.7615 5.6632 5.6632 5.7548 5.7548 5.8017 5.8017 6.6499 6.6499 8.5140 8.5140 9.3504 9.3504 9.8293 9.8293 10.5373 10.5373 10.9768 10.9768 11.2322 11.2322 11.2627 11.2627 11.5746 11.5746 11.8000 11.8000 12.1120 12.1120 12.2710 12.2710 12.5954 12.5954 12.6616 12.6616 13.0605 13.0605 13.3538 13.3538 13.5415 13.5415 14.0983 14.0983 14.4636 14.4636 14.6550 14.6550 14.8250 14.8250 14.8751 14.8751 15.2426 15.2426 15.4753 15.4753 15.6080 15.6080 15.8386 15.8386 16.2731 16.2731 17.3219 17.3219 17.7262 17.7262 18.0804 18.0804 18.2898 18.2898 18.5422 18.5422 20.4412 20.4412 20.8016 20.8016 22.3461 22.3461 k = 0.1491 0.1491 0.2791 ( 3790 PWs) bands (ev): 3.2321 3.2321 3.6909 3.6909 3.7581 3.7581 5.6571 5.6571 5.7499 5.7499 5.7961 5.7961 6.5924 6.5924 8.4726 8.4726 9.3756 9.3756 9.8296 9.8296 10.4990 10.4990 10.9564 10.9564 11.2039 11.2039 11.2474 11.2474 11.5963 11.5963 11.8179 11.8179 12.1103 12.1103 12.2894 12.2894 12.6077 12.6077 12.6795 12.6795 13.0954 13.0954 13.3657 13.3657 13.5787 13.5787 14.0968 14.0968 14.5297 14.5297 14.6726 14.6726 14.8615 14.8615 14.8748 14.8748 15.2852 15.2852 15.4321 15.4321 15.6183 15.6183 15.9015 15.9015 16.2909 16.2909 17.3568 17.3568 17.7877 17.7877 18.1058 18.1058 18.2697 18.2697 18.5620 18.5620 20.4917 20.4917 20.7439 20.7439 22.2876 22.2876 k = 0.1404 0.1404 0.2791 ( 3782 PWs) bands (ev): 3.2088 3.2088 3.6875 3.6875 3.7548 3.7548 5.6507 5.6507 5.7444 5.7444 5.7910 5.7910 6.5383 6.5383 8.4330 8.4330 9.4005 9.4005 9.8287 9.8287 10.4608 10.4608 10.9362 10.9362 11.1669 11.1669 11.2397 11.2397 11.6191 11.6191 11.8312 11.8312 12.1140 12.1140 12.3098 12.3098 12.6227 12.6227 12.6974 12.6974 13.1288 13.1288 13.3775 13.3775 13.6192 13.6192 14.0955 14.0955 14.5642 14.5642 14.6927 14.6927 14.8684 14.8684 14.9233 14.9233 15.3208 15.3208 15.3706 15.3706 15.6539 15.6539 15.9689 15.9689 16.3096 16.3096 17.3898 17.3898 17.8503 17.8503 18.1285 18.1285 18.2585 18.2585 18.5795 18.5795 20.5365 20.5365 20.6819 20.6819 22.2223 22.2223 k = 0.1316 0.1316 0.2791 ( 3782 PWs) bands (ev): 3.1864 3.1864 3.6840 3.6840 3.7516 3.7516 5.6443 5.6443 5.7382 5.7382 5.7863 5.7863 6.4877 6.4877 8.3953 8.3953 9.4249 9.4249 9.8268 9.8268 10.4229 10.4229 10.9163 10.9163 11.1315 11.1315 11.2304 11.2304 11.6416 11.6416 11.8373 11.8373 12.1272 12.1272 12.3312 12.3312 12.6389 12.6389 12.7171 12.7171 13.1597 13.1597 13.3893 13.3893 13.6624 13.6624 14.0951 14.0951 14.5785 14.5785 14.7047 14.7047 14.8669 14.8669 14.9962 14.9962 15.2805 15.2805 15.3743 15.3743 15.7030 15.7030 16.0398 16.0398 16.3288 16.3288 17.4202 17.4202 17.9128 17.9128 18.1471 18.1471 18.2593 18.2593 18.5945 18.5945 20.5672 20.5672 20.6251 20.6251 22.1511 22.1511 k = 0.1228 0.1228 0.2791 ( 3786 PWs) bands (ev): 3.1650 3.1650 3.6805 3.6805 3.7486 3.7486 5.6378 5.6378 5.7312 5.7312 5.7822 5.7822 6.4405 6.4405 8.3597 8.3597 9.4487 9.4487 9.8243 9.8243 10.3855 10.3855 10.8965 10.8965 11.0989 11.0989 11.2194 11.2194 11.6630 11.6630 11.8357 11.8357 12.1509 12.1509 12.3529 12.3529 12.6540 12.6540 12.7404 12.7404 13.1868 13.1868 13.4013 13.4013 13.7073 13.7073 14.0962 14.0962 14.5835 14.5835 14.7066 14.7066 14.8644 14.8644 15.0742 15.0742 15.2043 15.2043 15.4087 15.4087 15.7635 15.7635 16.1132 16.1132 16.3481 16.3481 17.4470 17.4470 17.9737 17.9737 18.1620 18.1620 18.2732 18.2732 18.6067 18.6067 20.5327 20.5327 20.6248 20.6248 22.0750 22.0750 k = 0.1140 0.1140 0.2791 ( 3782 PWs) bands (ev): 3.1449 3.1449 3.6770 3.6770 3.7457 3.7457 5.6314 5.6314 5.7236 5.7236 5.7787 5.7787 6.3970 6.3970 8.3262 8.3262 9.4716 9.4716 9.8215 9.8215 10.3488 10.3488 10.8772 10.8772 11.0694 11.0694 11.2070 11.2070 11.6824 11.6824 11.8282 11.8282 12.1836 12.1836 12.3746 12.3746 12.6670 12.6670 12.7686 12.7686 13.2094 13.2094 13.4141 13.4141 13.7526 13.7526 14.0995 14.0995 14.5841 14.5841 14.7010 14.7010 14.8599 14.8599 15.1215 15.1215 15.1554 15.1554 15.4409 15.4409 15.8348 15.8348 16.1877 16.1877 16.3677 16.3677 17.4695 17.4695 18.0317 18.0317 18.1772 18.1772 18.2981 18.2981 18.6159 18.6159 20.4667 20.4667 20.6480 20.6480 21.9951 21.9951 k = 0.1053 0.1053 0.2791 ( 3786 PWs) bands (ev): 3.1259 3.1259 3.6735 3.6735 3.7430 3.7430 5.6251 5.6251 5.7154 5.7154 5.7759 5.7759 6.3571 6.3571 8.2949 8.2949 9.4936 9.4936 9.8187 9.8187 10.3132 10.3132 10.8583 10.8583 11.0429 11.0429 11.1939 11.1939 11.6989 11.6989 11.8180 11.8180 12.2224 12.2224 12.3960 12.3960 12.6776 12.6776 12.8015 12.8015 13.2266 13.2266 13.4280 13.4280 13.7966 13.7966 14.1057 14.1057 14.5819 14.5819 14.6900 14.6900 14.8515 14.8515 15.0523 15.0523 15.2201 15.2201 15.4696 15.4696 15.9158 15.9158 16.2617 16.2617 16.3879 16.3879 17.4872 17.4872 18.0852 18.0852 18.1968 18.1968 18.3311 18.3311 18.6219 18.6219 20.3984 20.3984 20.6658 20.6658 21.9121 21.9121 k = 0.0965 0.0965 0.2791 ( 3786 PWs) bands (ev): 3.1082 3.1082 3.6700 3.6700 3.7405 3.7405 5.6190 5.6190 5.7069 5.7069 5.7734 5.7734 6.3208 6.3208 8.2660 8.2660 9.5143 9.5143 9.8163 9.8163 10.2787 10.2787 10.8400 10.8400 11.0194 11.0194 11.1805 11.1805 11.7113 11.7113 11.8082 11.8082 12.2647 12.2647 12.4173 12.4173 12.6866 12.6866 12.8380 12.8380 13.2386 13.2386 13.4430 13.4430 13.8371 13.8371 14.1160 14.1160 14.5771 14.5771 14.6747 14.6747 14.8368 14.8368 14.9891 14.9891 15.2799 15.2799 15.4945 15.4945 16.0040 16.0040 16.3323 16.3323 16.4105 16.4105 17.5001 17.5001 18.1336 18.1336 18.2226 18.2226 18.3704 18.3704 18.6247 18.6247 20.3308 20.3308 20.6756 20.6756 21.8268 21.8268 k = 0.0877 0.0877 0.2791 ( 3786 PWs) bands (ev): 3.0918 3.0918 3.6666 3.6666 3.7381 3.7381 5.6131 5.6131 5.6983 5.6983 5.7714 5.7714 6.2881 6.2881 8.2394 8.2394 9.5337 9.5337 9.8145 9.8145 10.2456 10.2456 10.8225 10.8225 10.9986 10.9986 11.1671 11.1671 11.7178 11.7178 11.8021 11.8021 12.3079 12.3079 12.4388 12.4388 12.6945 12.6945 12.8768 12.8768 13.2460 13.2460 13.4590 13.4590 13.8715 13.8715 14.1314 14.1314 14.5685 14.5685 14.6561 14.6561 14.8133 14.8133 14.9404 14.9404 15.3318 15.3318 15.5160 15.5160 16.0960 16.0960 16.3907 16.3907 16.4436 16.4436 17.5087 17.5087 18.1784 18.1784 18.2531 18.2531 18.4149 18.4149 18.6242 18.6242 20.2652 20.2652 20.6771 20.6771 21.7400 21.7400 k = 0.0789 0.0789 0.2791 ( 3786 PWs) bands (ev): 3.0768 3.0768 3.6634 3.6634 3.7360 3.7360 5.6075 5.6075 5.6898 5.6898 5.7697 5.7697 6.2589 6.2589 8.2152 8.2152 9.5513 9.5513 9.8138 9.8138 10.2141 10.2141 10.8061 10.8061 10.9805 10.9805 11.1541 11.1541 11.7174 11.7174 11.8013 11.8013 12.3497 12.3497 12.4614 12.4614 12.7019 12.7019 12.9160 12.9160 13.2504 13.2504 13.4754 13.4754 13.8977 13.8977 14.1520 14.1520 14.5532 14.5532 14.6367 14.6367 14.7831 14.7831 14.9074 14.9074 15.3764 15.3764 15.5345 15.5345 16.1877 16.1877 16.4259 16.4259 16.4976 16.4976 17.5138 17.5138 18.2218 18.2218 18.2853 18.2853 18.4631 18.4631 18.6206 18.6206 20.2023 20.2023 20.6709 20.6709 21.6525 21.6525 k = 0.0702 0.0702 0.2791 ( 3782 PWs) bands (ev): 3.0633 3.0633 3.6604 3.6604 3.7341 3.7341 5.6022 5.6022 5.6817 5.6817 5.7683 5.7683 6.2332 6.2332 8.1934 8.1934 9.5671 9.5671 9.8142 9.8142 10.1843 10.1843 10.7909 10.7909 10.9647 10.9647 11.1417 11.1417 11.7116 11.7116 11.8052 11.8052 12.3878 12.3878 12.4861 12.4861 12.7094 12.7094 12.9532 12.9532 13.2542 13.2542 13.4915 13.4915 13.9149 13.9149 14.1759 14.1759 14.5286 14.5286 14.6209 14.6209 14.7533 14.7533 14.8844 14.8844 15.4148 15.4148 15.5504 15.5504 16.2736 16.2736 16.4527 16.4527 16.5591 16.5591 17.5166 17.5166 18.2652 18.2652 18.3172 18.3172 18.5128 18.5128 18.6144 18.6144 20.1430 20.1430 20.6580 20.6580 21.5653 21.5653 k = 0.0614 0.0614 0.2791 ( 3786 PWs) bands (ev): 3.0512 3.0512 3.6577 3.6577 3.7324 3.7324 5.5973 5.5973 5.6740 5.6740 5.7671 5.7671 6.2109 6.2109 8.1742 8.1742 9.5809 9.5809 9.8159 9.8159 10.1564 10.1564 10.7771 10.7771 10.9511 10.9511 11.1303 11.1303 11.7032 11.7032 11.8112 11.8112 12.4197 12.4197 12.5138 12.5138 12.7174 12.7174 12.9852 12.9852 13.2606 13.2606 13.5069 13.5069 13.9232 13.9232 14.1990 14.1990 14.4986 14.4986 14.6107 14.6107 14.7284 14.7284 14.8655 14.8655 15.4475 15.4475 15.5638 15.5638 16.3460 16.3460 16.4845 16.4845 16.6182 16.6182 17.5180 17.5180 18.3084 18.3084 18.3479 18.3479 18.5602 18.5602 18.6080 18.6080 20.0878 20.0878 20.6403 20.6403 21.4796 21.4796 k = 0.0526 0.0526 0.2791 ( 3786 PWs) bands (ev): 3.0407 3.0407 3.6552 3.6552 3.7310 3.7310 5.5928 5.5928 5.6670 5.6670 5.7661 5.7661 6.1918 6.1918 8.1574 8.1574 9.5925 9.5925 9.8190 9.8190 10.1307 10.1307 10.7648 10.7648 10.9396 10.9396 11.1199 11.1199 11.6942 11.6942 11.8178 11.8178 12.4448 12.4448 12.5439 12.5439 12.7266 12.7266 13.0083 13.0083 13.2735 13.2735 13.5209 13.5209 13.9234 13.9234 14.2144 14.2144 14.4738 14.4738 14.6046 14.6046 14.7089 14.7089 14.8475 14.8475 15.4753 15.4753 15.5751 15.5751 16.3958 16.3958 16.5296 16.5296 16.6721 16.6721 17.5192 17.5192 18.3494 18.3494 18.3783 18.3783 18.5819 18.5819 18.6232 18.6232 20.0375 20.0375 20.6197 20.6197 21.3971 21.3971 k = 0.0439 0.0439 0.2791 ( 3782 PWs) bands (ev): 3.0317 3.0317 3.6530 3.6530 3.7297 3.7297 5.5889 5.5889 5.6609 5.6609 5.7653 5.7653 6.1759 6.1759 8.1432 8.1432 9.6020 9.6020 9.8233 9.8233 10.1075 10.1075 10.7542 10.7542 10.9300 10.9300 11.1108 11.1108 11.6857 11.6857 11.8239 11.8239 12.4639 12.4639 12.5738 12.5738 12.7377 12.7377 13.0199 13.0199 13.2950 13.2950 13.5333 13.5333 13.9160 13.9160 14.2163 14.2163 14.4644 14.4644 14.6004 14.6004 14.6939 14.6939 14.8294 14.8294 15.4986 15.4986 15.5843 15.5843 16.4245 16.4245 16.5850 16.5850 16.7194 16.7194 17.5208 17.5208 18.3843 18.3843 18.4103 18.4103 18.5726 18.5726 18.6640 18.6640 19.9928 19.9928 20.5985 20.5985 21.3200 21.3200 k = 0.0351 0.0351 0.2791 ( 3782 PWs) bands (ev): 3.0244 3.0244 3.6512 3.6512 3.7287 3.7287 5.5855 5.5855 5.6558 5.6558 5.7647 5.7647 6.1630 6.1630 8.1316 8.1316 9.6094 9.6094 9.8285 9.8285 10.0871 10.0871 10.7454 10.7454 10.9223 10.9223 11.1032 11.1032 11.6783 11.6783 11.8291 11.8291 12.4783 12.4783 12.6002 12.6002 12.7515 12.7515 13.0204 13.0204 13.3244 13.3244 13.5437 13.5437 13.9018 13.9018 14.2055 14.2055 14.4721 14.4721 14.5970 14.5970 14.6828 14.6828 14.8110 14.8110 15.5175 15.5175 15.5915 15.5915 16.4412 16.4412 16.6394 16.6394 16.7591 16.7591 17.5230 17.5230 18.4115 18.4115 18.4438 18.4438 18.5587 18.5587 18.7031 18.7031 19.9544 19.9544 20.5788 20.5788 21.2509 21.2509 k = 0.0263 0.0263 0.2791 ( 3790 PWs) bands (ev): 3.0186 3.0186 3.6497 3.6497 3.7279 3.7279 5.5828 5.5828 5.6517 5.6517 5.7642 5.7642 6.1531 6.1531 8.1225 8.1225 9.6149 9.6149 9.8338 9.8338 10.0701 10.0701 10.7385 10.7385 10.9164 10.9164 11.0972 11.0972 11.6724 11.6724 11.8332 11.8332 12.4891 12.4891 12.6208 12.6208 12.7678 12.7678 13.0129 13.0129 13.3574 13.3574 13.5519 13.5519 13.8826 13.8826 14.1898 14.1898 14.4905 14.4905 14.5933 14.5933 14.6753 14.6753 14.7929 14.7929 15.5323 15.5323 15.5969 15.5969 16.4518 16.4518 16.6858 16.6858 16.7905 16.7905 17.5257 17.5257 18.4334 18.4334 18.4741 18.4741 18.5440 18.5440 18.7360 18.7360 19.9232 19.9232 20.5622 20.5622 21.1925 21.1925 k = 0.0175 0.0175 0.2791 ( 3796 PWs) bands (ev): 3.0145 3.0145 3.6487 3.6487 3.7273 3.7273 5.5808 5.5808 5.6487 5.6487 5.7638 5.7638 6.1460 6.1460 8.1160 8.1160 9.6186 9.6186 9.8386 9.8386 10.0571 10.0571 10.7335 10.7335 10.9122 10.9122 11.0927 11.0927 11.6681 11.6681 11.8361 11.8361 12.4966 12.4966 12.6347 12.6347 12.7848 12.7848 13.0018 13.0018 13.3885 13.3885 13.5577 13.5577 13.8618 13.8618 14.1757 14.1757 14.5117 14.5117 14.5885 14.5885 14.6715 14.6715 14.7765 14.7765 15.5429 15.5429 15.6005 15.6005 16.4585 16.4585 16.7205 16.7205 16.8131 16.8131 17.5285 17.5285 18.4515 18.4515 18.4971 18.4971 18.5305 18.5305 18.7608 18.7608 19.9000 19.9000 20.5500 20.5500 21.1479 21.1479 k = 0.0088 0.0088 0.2791 ( 3800 PWs) bands (ev): 3.0120 3.0120 3.6480 3.6480 3.7270 3.7270 5.5795 5.5795 5.6469 5.6469 5.7636 5.7636 6.1418 6.1418 8.1121 8.1121 9.6207 9.6207 9.8420 9.8420 10.0489 10.0489 10.7305 10.7305 10.9096 10.9096 11.0901 11.0901 11.6655 11.6655 11.8379 11.8379 12.5010 12.5010 12.6425 12.6425 12.7982 12.7982 12.9919 12.9919 13.4112 13.4112 13.5612 13.5612 13.8452 13.8452 14.1667 14.1667 14.5298 14.5298 14.5827 14.5827 14.6704 14.6704 14.7645 14.7645 15.5494 15.5494 15.6026 15.6026 16.4623 16.4623 16.7420 16.7420 16.8267 16.8267 17.5305 17.5305 18.4657 18.4657 18.5072 18.5072 18.5231 18.5231 18.7762 18.7762 19.8857 19.8857 20.5426 20.5426 21.1197 21.1197 k = 0.0000 0.0000 0.2791 ( 3804 PWs) bands (ev): 3.0112 3.0112 3.6478 3.6478 3.7269 3.7269 5.5791 5.5791 5.6463 5.6463 5.7635 5.7635 6.1404 6.1404 8.1108 8.1108 9.6214 9.6214 9.8432 9.8432 10.0461 10.0461 10.7295 10.7295 10.9088 10.9088 11.0892 11.0892 11.6646 11.6646 11.8385 11.8385 12.5025 12.5025 12.6450 12.6450 12.8034 12.8034 12.9879 12.9879 13.4196 13.4196 13.5624 13.5624 13.8388 13.8388 14.1637 14.1637 14.5375 14.5375 14.5794 14.5794 14.6705 14.6705 14.7599 14.7599 15.5515 15.5515 15.6033 15.6033 16.4635 16.4635 16.7492 16.7492 16.8312 16.8312 17.5313 17.5313 18.4720 18.4720 18.5055 18.5055 18.5241 18.5241 18.7815 18.7815 19.8809 19.8809 20.5401 20.5401 21.1101 21.1101 k = 0.0000 0.5000-0.0000 ( 3828 PWs) bands (ev): 3.6271 3.6271 3.7666 3.7666 3.7991 3.7991 5.7796 5.7796 5.8135 5.8135 5.9286 5.9286 8.0397 8.0397 9.3298 9.3298 9.4596 9.4596 9.4804 9.4804 10.0083 10.0083 10.9240 10.9240 10.9860 10.9860 11.7186 11.7186 11.7474 11.7474 12.2030 12.2030 12.2649 12.2649 12.3198 12.3198 12.4826 12.4826 12.8276 12.8276 12.9190 12.9190 13.1772 13.1772 13.4632 13.4632 13.5214 13.5214 13.5468 13.5468 13.7375 13.7375 14.3535 14.3535 14.4073 14.4073 14.5889 14.5889 14.5963 14.5963 14.6851 14.6851 15.5485 15.5485 15.7409 15.7409 15.8364 15.8364 16.5896 16.5896 17.3206 17.3206 19.0443 19.0443 19.7727 19.7727 21.2983 21.2983 21.4454 21.4454 22.7410 22.7410 k = 0.0000 0.5000 0.0121 ( 3820 PWs) bands (ev): 3.6270 3.6270 3.7667 3.7667 3.7993 3.7993 5.7796 5.7796 5.8136 5.8136 5.9287 5.9287 8.0406 8.0406 9.3181 9.3181 9.4542 9.4542 9.4951 9.4951 10.0079 10.0079 10.9260 10.9260 10.9880 10.9880 11.7189 11.7189 11.7477 11.7477 12.2027 12.2027 12.2639 12.2639 12.3200 12.3200 12.4829 12.4829 12.8262 12.8262 12.9198 12.9198 13.1760 13.1760 13.4623 13.4623 13.5220 13.5220 13.5464 13.5464 13.7347 13.7347 14.3526 14.3526 14.4081 14.4081 14.5782 14.5782 14.6057 14.6057 14.6875 14.6875 15.5452 15.5452 15.7396 15.7396 15.8354 15.8354 16.5961 16.5961 17.3256 17.3256 19.0482 19.0482 19.7708 19.7708 21.2951 21.2951 21.4435 21.4435 22.7441 22.7441 k = 0.0000 0.5000 0.0243 ( 3822 PWs) bands (ev): 3.6268 3.6268 3.7667 3.7667 3.7998 3.7998 5.7797 5.7797 5.8137 5.8137 5.9288 5.9288 8.0434 8.0434 9.2900 9.2900 9.4447 9.4447 9.5259 9.5259 10.0069 10.0069 10.9319 10.9319 10.9938 10.9938 11.7198 11.7198 11.7485 11.7485 12.2018 12.2018 12.2609 12.2609 12.3205 12.3205 12.4835 12.4835 12.8218 12.8218 12.9221 12.9221 13.1724 13.1724 13.4596 13.4596 13.5234 13.5234 13.5451 13.5451 13.7268 13.7268 14.3491 14.3491 14.4110 14.4110 14.5642 14.5642 14.6164 14.6164 14.6943 14.6943 15.5356 15.5356 15.7353 15.7353 15.8330 15.8330 16.6154 16.6154 17.3406 17.3406 19.0598 19.0598 19.7651 19.7651 21.2852 21.2852 21.4377 21.4377 22.7534 22.7534 k = 0.0000 0.5000 0.0364 ( 3818 PWs) bands (ev): 3.6263 3.6263 3.7668 3.7668 3.8007 3.8007 5.7798 5.7798 5.8139 5.8139 5.9290 5.9290 8.0480 8.0480 9.2545 9.2545 9.4314 9.4314 9.5630 9.5630 10.0053 10.0053 10.9417 10.9417 11.0034 11.0034 11.7213 11.7213 11.7497 11.7497 12.2004 12.2004 12.2560 12.2560 12.3212 12.3212 12.4841 12.4841 12.8148 12.8148 12.9256 12.9256 13.1666 13.1666 13.4556 13.4556 13.5248 13.5248 13.5430 13.5430 13.7152 13.7152 14.3417 14.3417 14.4171 14.4171 14.5501 14.5501 14.6259 14.6259 14.7047 14.7047 15.5199 15.5199 15.7271 15.7271 15.8304 15.8304 16.6468 16.6468 17.3655 17.3655 19.0789 19.0789 19.7557 19.7557 21.2684 21.2684 21.4287 21.4287 22.7689 22.7689 k = 0.0000 0.5000 0.0485 ( 3810 PWs) bands (ev): 3.6257 3.6257 3.7669 3.7669 3.8019 3.8019 5.7800 5.7800 5.8142 5.8142 5.9294 5.9294 8.0545 8.0545 9.2163 9.2163 9.4141 9.4141 9.6027 9.6027 10.0034 10.0034 10.9552 10.9552 11.0163 11.0163 11.7233 11.7233 11.7514 11.7514 12.1985 12.1985 12.2492 12.2492 12.3221 12.3221 12.4843 12.4843 12.8053 12.8053 12.9303 12.9303 13.1591 13.1591 13.4503 13.4503 13.5244 13.5244 13.5411 13.5411 13.7021 13.7021 14.3299 14.3299 14.4262 14.4262 14.5366 14.5366 14.6344 14.6344 14.7176 14.7176 15.4988 15.4988 15.7140 15.7140 15.8287 15.8287 16.6894 16.6894 17.3999 17.3999 19.1049 19.1049 19.7427 19.7427 21.2441 21.2441 21.4170 21.4170 22.7903 22.7903 k = 0.0000 0.5000 0.0607 ( 3810 PWs) bands (ev): 3.6250 3.6250 3.7670 3.7670 3.8033 3.8033 5.7803 5.7803 5.8145 5.8145 5.9298 5.9298 8.0627 8.0627 9.1771 9.1771 9.3926 9.3926 9.6432 9.6432 10.0016 10.0016 10.9722 10.9722 11.0323 11.0323 11.7259 11.7259 11.7535 11.7535 12.1962 12.1962 12.2407 12.2407 12.3231 12.3231 12.4834 12.4834 12.7937 12.7937 12.9357 12.9357 13.1502 13.1502 13.4438 13.4438 13.5194 13.5194 13.5415 13.5415 13.6895 13.6895 14.3139 14.3139 14.4373 14.4373 14.5243 14.5243 14.6427 14.6427 14.7317 14.7317 15.4728 15.4728 15.6957 15.6957 15.8288 15.8288 16.7423 16.7423 17.4434 17.4434 19.1371 19.1371 19.7264 19.7264 21.2119 21.2119 21.4030 21.4030 22.8175 22.8175 k = 0.0000 0.5000 0.0728 ( 3810 PWs) bands (ev): 3.6242 3.6242 3.7671 3.7671 3.8050 3.8050 5.7805 5.7805 5.8150 5.8150 5.9303 5.9303 8.0728 8.0728 9.1380 9.1380 9.3673 9.3673 9.6835 9.6835 10.0002 10.0002 10.9924 10.9924 11.0510 11.0510 11.7289 11.7289 11.7559 11.7559 12.1936 12.1936 12.2307 12.2307 12.3241 12.3241 12.4806 12.4806 12.7804 12.7804 12.9419 12.9419 13.1405 13.1405 13.4358 13.4358 13.5102 13.5102 13.5438 13.5438 13.6795 13.6795 14.2947 14.2947 14.4489 14.4489 14.5135 14.5135 14.6510 14.6510 14.7464 14.7464 15.4428 15.4428 15.6724 15.6724 15.8308 15.8308 16.8043 16.8043 17.4954 17.4954 19.1746 19.1746 19.7068 19.7068 21.1717 21.1717 21.3871 21.3871 22.8503 22.8503 k = 0.0000 0.5000 0.0850 ( 3808 PWs) bands (ev): 3.6232 3.6232 3.7673 3.7673 3.8069 3.8069 5.7808 5.7808 5.8154 5.8154 5.9308 5.9308 8.0846 8.0846 9.0996 9.0996 9.3386 9.3386 9.7226 9.7226 9.9998 9.9998 11.0155 11.0155 11.0720 11.0720 11.7323 11.7323 11.7585 11.7585 12.1905 12.1905 12.2194 12.2194 12.3249 12.3249 12.4748 12.4748 12.7663 12.7663 12.9484 12.9484 13.1305 13.1305 13.4253 13.4253 13.4993 13.4993 13.5469 13.5469 13.6731 13.6731 14.2730 14.2730 14.4588 14.4588 14.5057 14.5057 14.6597 14.6597 14.7610 14.7610 15.4095 15.4095 15.6444 15.6444 15.8346 15.8346 16.8744 16.8744 17.5553 17.5553 19.2163 19.2163 19.6846 19.6846 21.1237 21.1237 21.3694 21.3694 22.8884 22.8884 k = 0.0000 0.5000 0.0971 ( 3806 PWs) bands (ev): 3.6222 3.6222 3.7674 3.7674 3.8091 3.8091 5.7812 5.7812 5.8159 5.8159 5.9315 5.9315 8.0981 8.0981 9.0620 9.0620 9.3070 9.3070 9.7595 9.7595 10.0014 10.0014 11.0408 11.0408 11.0953 11.0953 11.7361 11.7361 11.7613 11.7613 12.1866 12.1866 12.2073 12.2073 12.3254 12.3254 12.4650 12.4650 12.7521 12.7521 12.9553 12.9553 13.1208 13.1208 13.4117 13.4117 13.4895 13.4895 13.5503 13.5503 13.6702 13.6702 14.2494 14.2494 14.4631 14.4631 14.5041 14.5041 14.6689 14.6689 14.7753 14.7753 15.3739 15.3739 15.6123 15.6123 15.8400 15.8400 16.9517 16.9517 17.6223 17.6223 19.2606 19.2606 19.6603 19.6603 21.0683 21.0683 21.3499 21.3499 22.9315 22.9315 k = 0.0000 0.5000 0.1092 ( 3794 PWs) bands (ev): 3.6211 3.6211 3.7676 3.7676 3.8113 3.8113 5.7815 5.7815 5.8165 5.8165 5.9321 5.9321 8.1133 8.1133 9.0257 9.0257 9.2729 9.2729 9.7930 9.7930 10.0059 10.0059 11.0676 11.0676 11.1208 11.1208 11.7402 11.7402 11.7642 11.7642 12.1798 12.1798 12.1966 12.1966 12.3254 12.3254 12.4501 12.4501 12.7391 12.7391 12.9621 12.9621 13.1118 13.1118 13.3947 13.3947 13.4825 13.4825 13.5536 13.5536 13.6701 13.6701 14.2247 14.2247 14.4599 14.4599 14.5099 14.5099 14.6786 14.6786 14.7890 14.7890 15.3366 15.3366 15.5766 15.5766 15.8467 15.8467 17.0350 17.0350 17.6957 17.6957 19.3055 19.3055 19.6353 19.6353 21.0061 21.0061 21.3285 21.3285 22.9794 22.9794 k = 0.0000 0.5000 0.1214 ( 3800 PWs) bands (ev): 3.6200 3.6200 3.7678 3.7678 3.8137 3.8137 5.7819 5.7819 5.8171 5.8171 5.9329 5.9329 8.1301 8.1301 8.9907 8.9907 9.2369 9.2369 9.8217 9.8217 10.0149 10.0149 11.0949 11.0949 11.1489 11.1489 11.7446 11.7446 11.7671 11.7671 12.1673 12.1673 12.1899 12.1899 12.3249 12.3249 12.4296 12.4296 12.7281 12.7281 12.9686 12.9686 13.1040 13.1040 13.3755 13.3755 13.4788 13.4788 13.5572 13.5572 13.6722 13.6722 14.1992 14.1992 14.4525 14.4525 14.5196 14.5196 14.6889 14.6889 14.8020 14.8020 15.2986 15.2986 15.5380 15.5380 15.8544 15.8544 17.1234 17.1234 17.7746 17.7746 19.3471 19.3471 19.6124 19.6124 20.9377 20.9377 21.3052 21.3052 23.0317 23.0317 k = 0.0000 0.5000 0.1335 ( 3800 PWs) bands (ev): 3.6189 3.6189 3.7679 3.7679 3.8161 3.8161 5.7823 5.7823 5.8176 5.8176 5.9336 5.9336 8.1483 8.1483 8.9574 8.9574 9.1995 9.1995 9.8440 9.8440 10.0294 10.0294 11.1215 11.1215 11.1799 11.1799 11.7490 11.7490 11.7699 11.7699 12.1505 12.1505 12.1861 12.1861 12.3238 12.3238 12.4033 12.4033 12.7198 12.7198 12.9743 12.9743 13.0978 13.0978 13.3558 13.3558 13.4779 13.4779 13.5610 13.5610 13.6758 13.6758 14.1734 14.1734 14.4438 14.4438 14.5303 14.5303 14.6995 14.6995 14.8142 14.8142 15.2604 15.2604 15.4972 15.4972 15.8630 15.8630 17.2159 17.2159 17.8582 17.8582 19.3788 19.3788 19.5974 19.5974 20.8641 20.8641 21.2802 21.2802 23.0882 23.0882 k = 0.0000 0.5000 0.1456 ( 3798 PWs) bands (ev): 3.6179 3.6179 3.7681 3.7681 3.8185 3.8185 5.7827 5.7827 5.8182 5.8182 5.9344 5.9344 8.1680 8.1680 8.9257 8.9257 9.1613 9.1613 9.8597 9.8597 10.0498 10.0498 11.1465 11.1465 11.2140 11.2140 11.7535 11.7535 11.7726 11.7726 12.1312 12.1312 12.1832 12.1832 12.3221 12.3221 12.3719 12.3719 12.7141 12.7141 12.9788 12.9788 13.0937 13.0937 13.3366 13.3366 13.4791 13.4791 13.5653 13.5653 13.6801 13.6801 14.1478 14.1478 14.4348 14.4348 14.5407 14.5407 14.7106 14.7106 14.8256 14.8256 15.2228 15.2228 15.4547 15.4547 15.8720 15.8720 17.3114 17.3114 17.9457 17.9457 19.3904 19.3904 19.5996 19.5996 20.7860 20.7860 21.2537 21.2537 23.1486 23.1486 k = 0.0000 0.5000 0.1578 ( 3792 PWs) bands (ev): 3.6168 3.6168 3.7682 3.7682 3.8209 3.8209 5.7830 5.7830 5.8188 5.8188 5.9352 5.9352 8.1890 8.1890 8.8959 8.8959 9.1227 9.1227 9.8695 9.8695 10.0751 10.0751 11.1697 11.1697 11.2509 11.2509 11.7579 11.7579 11.7752 11.7752 12.1100 12.1100 12.1805 12.1805 12.3194 12.3194 12.3372 12.3372 12.7107 12.7107 12.9817 12.9817 13.0920 13.0920 13.3187 13.3187 13.4821 13.4821 13.5703 13.5703 13.6847 13.6847 14.1225 14.1225 14.4261 14.4261 14.5504 14.5504 14.7221 14.7221 14.8360 14.8360 15.1864 15.1864 15.4112 15.4112 15.8813 15.8813 17.4090 17.4090 18.0361 18.0361 19.3774 19.3774 19.6225 19.6225 20.7045 20.7045 21.2261 21.2261 23.2122 23.2122 k = 0.0000 0.5000 0.1699 ( 3792 PWs) bands (ev): 3.6158 3.6158 3.7684 3.7684 3.8231 3.8231 5.7834 5.7834 5.8193 5.8193 5.9359 5.9359 8.2110 8.2110 8.8678 8.8678 9.0844 9.0844 9.8749 9.8749 10.1034 10.1034 11.1907 11.1907 11.2901 11.2901 11.7622 11.7622 11.7775 11.7775 12.0874 12.0874 12.1772 12.1772 12.2978 12.2978 12.3188 12.3188 12.7092 12.7092 12.9826 12.9826 13.0931 13.0931 13.3025 13.3025 13.4863 13.4863 13.5760 13.5760 13.6892 13.6892 14.0980 14.0980 14.4178 14.4178 14.5592 14.5592 14.7339 14.7339 14.8456 14.8456 15.1518 15.1518 15.3674 15.3674 15.8906 15.8906 17.5075 17.5075 18.1286 18.1286 19.3462 19.3462 19.6587 19.6587 20.6209 20.6209 21.1979 21.1979 23.2786 23.2786 k = 0.0000 0.5000 0.1820 ( 3784 PWs) bands (ev): 3.6149 3.6149 3.7685 3.7685 3.8253 3.8253 5.7838 5.7838 5.8199 5.8199 5.9367 5.9367 8.2338 8.2338 8.8417 8.8417 9.0470 9.0470 9.8775 9.8775 10.1329 10.1329 11.2097 11.2097 11.3309 11.3309 11.7661 11.7661 11.7798 11.7798 12.0638 12.0638 12.1722 12.1722 12.2609 12.2609 12.3156 12.3156 12.7089 12.7089 12.9818 12.9818 13.0966 13.0966 13.2880 13.2880 13.4914 13.4914 13.5827 13.5827 13.6934 13.6934 14.0744 14.0744 14.4102 14.4102 14.5671 14.5671 14.7458 14.7458 14.8542 14.8542 15.1197 15.1197 15.3241 15.3241 15.8996 15.8996 17.6057 17.6057 18.2219 18.2219 19.3045 19.3045 19.6994 19.6994 20.5367 20.5367 21.1697 21.1697 23.3471 23.3471 k = 0.0000 0.5000 0.1942 ( 3794 PWs) bands (ev): 3.6140 3.6140 3.7686 3.7686 3.8273 3.8273 5.7841 5.7841 5.8203 5.8203 5.9373 5.9373 8.2571 8.2571 8.8174 8.8174 9.0112 9.0112 9.8783 9.8783 10.1622 10.1622 11.2266 11.2266 11.3726 11.3726 11.7697 11.7697 11.7818 11.7818 12.0399 12.0399 12.1618 12.1618 12.2283 12.2283 12.3126 12.3126 12.7096 12.7096 12.9797 12.9797 13.1022 13.1022 13.2750 13.2750 13.4970 13.4970 13.5901 13.5901 13.6970 13.6970 14.0522 14.0522 14.4034 14.4034 14.5740 14.5740 14.7578 14.7578 14.8619 14.8619 15.0906 15.0906 15.2817 15.2817 15.9081 15.9081 17.7024 17.7024 18.3150 18.3150 19.2565 19.2565 19.7394 19.7394 20.4537 20.4537 21.1424 21.1424 23.4165 23.4165 k = 0.0000 0.5000 0.2063 ( 3790 PWs) bands (ev): 3.6132 3.6132 3.7688 3.7688 3.8291 3.8291 5.7844 5.7844 5.8208 5.8208 5.9380 5.9380 8.2805 8.2805 8.7949 8.7949 8.9778 8.9778 9.8781 9.8781 10.1899 10.1899 11.2415 11.2415 11.4143 11.4143 11.7726 11.7726 11.7838 11.7838 12.0163 12.0163 12.1399 12.1399 12.2076 12.2076 12.3097 12.3097 12.7107 12.7107 12.9769 12.9769 13.1093 13.1093 13.2635 13.2635 13.5027 13.5027 13.5982 13.5982 13.7000 13.7000 14.0315 14.0315 14.3975 14.3975 14.5799 14.5799 14.7695 14.7695 14.8687 14.8687 15.0653 15.0653 15.2411 15.2411 15.9160 15.9160 17.7959 17.7959 18.4064 18.4064 19.2045 19.2045 19.7754 19.7754 20.3744 20.3744 21.1165 21.1165 23.4847 23.4847 k = 0.0000 0.5000 0.2185 ( 3790 PWs) bands (ev): 3.6126 3.6126 3.7688 3.7688 3.8307 3.8307 5.7846 5.7846 5.8211 5.8211 5.9385 5.9385 8.3032 8.3032 8.7744 8.7744 8.9476 8.9476 9.8774 9.8774 10.2153 10.2153 11.2541 11.2541 11.4552 11.4552 11.7746 11.7746 11.7858 11.7858 11.9942 11.9942 12.1079 12.1079 12.1984 12.1984 12.3070 12.3070 12.7120 12.7120 12.9738 12.9738 13.1171 13.1171 13.2533 13.2533 13.5082 13.5082 13.6065 13.6065 13.7024 13.7024 14.0127 14.0127 14.3926 14.3926 14.5848 14.5848 14.7807 14.7807 14.8745 14.8745 15.0444 15.0444 15.2028 15.2028 15.9229 15.9229 17.8844 17.8844 18.4945 18.4945 19.1504 19.1504 19.8046 19.8046 20.3017 20.3017 21.0930 21.0930 23.5472 23.5472 k = 0.0000 0.5000 0.2306 ( 3790 PWs) bands (ev): 3.6120 3.6120 3.7689 3.7689 3.8320 3.8320 5.7848 5.7848 5.8215 5.8215 5.9390 5.9390 8.3247 8.3247 8.7558 8.7558 8.9216 8.9216 9.8766 9.8766 10.2373 10.2373 11.2646 11.2646 11.4940 11.4940 11.7756 11.7756 11.7877 11.7877 11.9745 11.9745 12.0730 12.0730 12.1945 12.1945 12.3046 12.3046 12.7134 12.7134 12.9708 12.9708 13.1251 13.1251 13.2442 13.2442 13.5132 13.5132 13.6147 13.6147 13.7042 13.7042 13.9964 13.9964 14.3887 14.3887 14.5887 14.5887 14.7909 14.7909 14.8793 14.8793 15.0285 15.0285 15.1677 15.1677 15.9289 15.9289 17.9653 17.9653 18.5772 18.5772 19.0957 19.0957 19.8247 19.8247 20.2394 20.2394 21.0726 21.0726 23.5929 23.5929 k = 0.0000 0.5000 0.2427 ( 3790 PWs) bands (ev): 3.6116 3.6116 3.7690 3.7690 3.8330 3.8330 5.7850 5.7850 5.8217 5.8217 5.9394 5.9394 8.3436 8.3436 8.7398 8.7398 8.9005 8.9005 9.8757 9.8757 10.2552 10.2552 11.2728 11.2728 11.5290 11.5290 11.7755 11.7755 11.7896 11.7896 11.9585 11.9585 12.0402 12.0402 12.1927 12.1927 12.3026 12.3026 12.7145 12.7145 12.9683 12.9683 13.1327 13.1327 13.2364 13.2364 13.5174 13.5174 13.6221 13.6221 13.7054 13.7054 13.9828 13.9828 14.3857 14.3857 14.5917 14.5917 14.7995 14.7995 14.8831 14.8831 15.0181 15.0181 15.1368 15.1368 15.9336 15.9336 18.0353 18.0353 18.6521 18.6521 19.0425 19.0425 19.8345 19.8345 20.1912 20.1912 21.0559 21.0559 23.6136 23.6136 k = 0.0000 0.5000 0.2549 ( 3780 PWs) bands (ev): 3.6113 3.6113 3.7690 3.7690 3.8338 3.8338 5.7852 5.7852 5.8219 5.8219 5.9397 5.9397 8.3588 8.3588 8.7270 8.7270 8.8850 8.8850 9.8750 9.8750 10.2685 10.2685 11.2787 11.2787 11.5579 11.5579 11.7745 11.7745 11.7912 11.7912 11.9471 11.9471 12.0125 12.0125 12.1919 12.1919 12.3010 12.3010 12.7155 12.7155 12.9664 12.9664 13.1390 13.1390 13.2301 13.2301 13.5206 13.5206 13.6280 13.6280 13.7062 13.7062 13.9726 13.9726 14.3836 14.3836 14.5938 14.5938 14.8060 14.8060 14.8859 14.8859 15.0131 15.0131 15.1114 15.1114 15.9371 15.9371 18.0906 18.0906 18.7161 18.7161 18.9936 18.9936 19.8353 19.8353 20.1589 20.1589 21.0436 21.0436 23.6236 23.6236 k = 0.0000 0.5000 0.2670 ( 3780 PWs) bands (ev): 3.6111 3.6111 3.7691 3.7691 3.8343 3.8343 5.7852 5.7852 5.8220 5.8220 5.9399 5.9399 8.3687 8.3687 8.7186 8.7186 8.8755 8.8755 9.8745 9.8745 10.2767 10.2767 11.2823 11.2823 11.5774 11.5774 11.7733 11.7733 11.7922 11.7922 11.9408 11.9408 11.9934 11.9934 12.1915 12.1915 12.3001 12.3001 12.7160 12.7160 12.9653 12.9653 13.1434 13.1434 13.2259 13.2259 13.5226 13.5226 13.6319 13.6319 13.7066 13.7066 13.9662 13.9662 14.3824 14.3824 14.5951 14.5951 14.8100 14.8100 14.8875 14.8875 15.0120 15.0120 15.0938 15.0938 15.9392 15.9392 18.1263 18.1263 18.7642 18.7642 18.9542 18.9542 19.8319 19.8319 20.1415 20.1415 21.0360 21.0360 23.6345 23.6345 k = 0.0000 0.5000 0.2791 ( 3784 PWs) bands (ev): 3.6110 3.6110 3.7691 3.7691 3.8344 3.8344 5.7853 5.7853 5.8220 5.8220 5.9399 5.9399 8.3721 8.3721 8.7157 8.7157 8.8724 8.8724 9.8744 9.8744 10.2795 10.2795 11.2834 11.2834 11.5844 11.5844 11.7727 11.7727 11.7926 11.7926 11.9390 11.9390 11.9864 11.9864 12.1914 12.1914 12.2998 12.2998 12.7162 12.7162 12.9649 12.9649 13.1450 13.1450 13.2244 13.2244 13.5232 13.5232 13.6333 13.6333 13.7068 13.7068 13.9640 13.9640 14.3820 14.3820 14.5955 14.5955 14.8114 14.8114 14.8881 14.8881 15.0123 15.0123 15.0873 15.0873 15.9399 15.9399 18.1388 18.1388 18.7842 18.7842 18.9371 18.9371 19.8298 19.8298 20.1361 20.1361 21.0334 21.0334 23.6452 23.6452 k = 0.5000 0.5000-0.0000 ( 3800 PWs) bands (ev): 3.7012 3.7012 3.7518 3.7518 4.1013 4.1013 5.6004 5.6004 5.8376 5.8376 5.9524 5.9524 8.2974 8.2974 8.5901 8.5901 8.6977 8.6977 10.6485 10.6485 10.8519 10.8519 10.8892 10.8892 11.1751 11.1751 11.4811 11.4811 11.6238 11.6238 12.0307 12.0307 12.0859 12.0859 12.6337 12.6337 12.6937 12.6937 12.8395 12.8395 13.1893 13.1893 13.1927 13.1927 13.4856 13.4856 13.8391 13.8391 14.3108 14.3108 14.5134 14.5134 14.6381 14.6381 14.7241 14.7241 14.7309 14.7309 15.0253 15.0253 15.0340 15.0340 15.4109 15.4109 16.2413 16.2413 16.3969 16.3969 16.4399 16.4399 17.0645 17.0645 17.5489 17.5489 17.8662 17.8662 19.3937 19.3937 20.1706 20.1706 20.4195 20.4195 k = 0.5000 0.5000 0.0121 ( 3824 PWs) bands (ev): 3.7012 3.7012 3.7517 3.7517 4.1013 4.1013 5.6003 5.6003 5.8375 5.8375 5.9523 5.9523 8.2978 8.2978 8.5909 8.5909 8.6988 8.6988 10.6483 10.6483 10.8500 10.8500 10.8903 10.8903 11.1761 11.1761 11.4816 11.4816 11.6243 11.6243 11.9767 11.9767 12.1402 12.1402 12.6315 12.6315 12.6964 12.6964 12.8417 12.8417 13.1889 13.1889 13.1910 13.1910 13.4863 13.4863 13.8386 13.8386 14.3092 14.3092 14.5097 14.5097 14.6177 14.6177 14.7200 14.7200 14.7362 14.7362 15.0350 15.0350 15.0361 15.0361 15.4107 15.4107 16.2383 16.2383 16.4012 16.4012 16.4470 16.4470 17.0631 17.0631 17.5486 17.5486 17.8660 17.8660 19.3969 19.3969 20.1763 20.1763 20.4229 20.4229 k = 0.5000 0.5000 0.0243 ( 3808 PWs) bands (ev): 3.7014 3.7014 3.7516 3.7516 4.1011 4.1011 5.5999 5.5999 5.8372 5.8372 5.9521 5.9521 8.2990 8.2990 8.5933 8.5933 8.7019 8.7019 10.6479 10.6479 10.8451 10.8451 10.8930 10.8930 11.1790 11.1790 11.4828 11.4828 11.6257 11.6257 11.9032 11.9032 12.2140 12.2140 12.6258 12.6258 12.7036 12.7036 12.8486 12.8486 13.1860 13.1860 13.1878 13.1878 13.4885 13.4885 13.8370 13.8370 14.3044 14.3044 14.4989 14.4989 14.5726 14.5726 14.6911 14.6911 14.7570 14.7570 15.0421 15.0421 15.0607 15.0607 15.4102 15.4102 16.2289 16.2289 16.4140 16.4140 16.4680 16.4680 17.0591 17.0591 17.5478 17.5478 17.8653 17.8653 19.4064 19.4064 20.1932 20.1932 20.4331 20.4331 k = 0.5000 0.5000 0.0364 ( 3816 PWs) bands (ev): 3.7016 3.7016 3.7513 3.7513 4.1009 4.1009 5.5992 5.5992 5.8368 5.8368 5.9518 5.9518 8.3009 8.3009 8.5972 8.5972 8.7071 8.7071 10.6471 10.6471 10.8383 10.8383 10.8960 10.8960 11.1840 11.1840 11.4845 11.4845 11.6281 11.6281 11.8301 11.8301 12.2869 12.2869 12.6182 12.6182 12.7134 12.7134 12.8610 12.8610 13.1781 13.1781 13.1859 13.1859 13.4921 13.4921 13.8342 13.8342 14.2961 14.2961 14.4817 14.4817 14.5155 14.5155 14.6512 14.6512 14.7754 14.7754 15.0513 15.0513 15.0956 15.0956 15.4095 15.4095 16.2126 16.2126 16.4350 16.4350 16.5017 16.5017 17.0529 17.0529 17.5465 17.5465 17.8641 17.8641 19.4223 19.4223 20.2209 20.2209 20.4502 20.4502 k = 0.5000 0.5000 0.0485 ( 3816 PWs) bands (ev): 3.7020 3.7020 3.7511 3.7511 4.1005 4.1005 5.5983 5.5983 5.8363 5.8363 5.9513 5.9513 8.3036 8.3036 8.6025 8.6025 8.7142 8.7142 10.6461 10.6461 10.8307 10.8307 10.8985 10.8985 11.1910 11.1910 11.4860 11.4860 11.6313 11.6313 11.7596 11.7596 12.3560 12.3560 12.6098 12.6098 12.7247 12.7247 12.8801 12.8801 13.1676 13.1676 13.1835 13.1835 13.4970 13.4970 13.8300 13.8300 14.2840 14.2840 14.4506 14.4506 14.4593 14.4593 14.6054 14.6054 14.7895 14.7895 15.0628 15.0628 15.1350 15.1350 15.4091 15.4091 16.1889 16.1889 16.4632 16.4632 16.5463 16.5463 17.0453 17.0453 17.5450 17.5450 17.8624 17.8624 19.4443 19.4443 20.2586 20.2586 20.4742 20.4742 k = 0.5000 0.5000 0.0607 ( 3824 PWs) bands (ev): 3.7024 3.7024 3.7507 3.7507 4.1001 4.1001 5.5971 5.5971 5.8356 5.8356 5.9507 5.9507 8.3069 8.3069 8.6093 8.6093 8.7232 8.7232 10.6448 10.6448 10.8226 10.8226 10.8999 10.8999 11.1999 11.1999 11.4861 11.4861 11.6354 11.6354 11.6936 11.6936 12.4187 12.4187 12.6012 12.6012 12.7366 12.7366 12.9077 12.9077 13.1552 13.1552 13.1806 13.1806 13.5032 13.5032 13.8245 13.8245 14.2675 14.2675 14.3800 14.3800 14.4332 14.4332 14.5572 14.5572 14.7997 14.7997 15.0756 15.0756 15.1759 15.1759 15.4090 15.4090 16.1575 16.1575 16.4971 16.4971 16.5999 16.5999 17.0373 17.0373 17.5433 17.5433 17.8601 17.8601 19.4724 19.4724 20.3054 20.3054 20.5054 20.5054 k = 0.5000 0.5000 0.0728 ( 3824 PWs) bands (ev): 3.7029 3.7029 3.7502 3.7502 4.0995 4.0995 5.5958 5.5958 5.8348 5.8348 5.9501 5.9501 8.3109 8.3109 8.6174 8.6174 8.7338 8.7338 10.6433 10.6433 10.8145 10.8145 10.9000 10.9000 11.2108 11.2108 11.4812 11.4812 11.6361 11.6361 11.6403 11.6403 12.4724 12.4724 12.5926 12.5926 12.7484 12.7484 12.9458 12.9458 13.1418 13.1418 13.1773 13.1773 13.5104 13.5104 13.8172 13.8172 14.2462 14.2462 14.3052 14.3052 14.4055 14.4055 14.5082 14.5082 14.8068 14.8068 15.0891 15.0891 15.2169 15.2169 15.4096 15.4096 16.1183 16.1183 16.5349 16.5349 16.6605 16.6605 17.0299 17.0299 17.5418 17.5418 17.8573 17.8573 19.5062 19.5062 20.3601 20.3601 20.5438 20.5438 k = 0.5000 0.5000 0.0850 ( 3836 PWs) bands (ev): 3.7034 3.7034 3.7498 3.7498 4.0989 4.0989 5.5943 5.5943 5.8338 5.8338 5.9493 5.9493 8.3154 8.3154 8.6265 8.6265 8.7460 8.7460 10.6417 10.6417 10.8065 10.8065 10.8986 10.8986 11.2236 11.2236 11.4636 11.4636 11.5947 11.5947 11.6460 11.6460 12.5154 12.5154 12.5839 12.5839 12.7596 12.7596 12.9956 12.9956 13.1281 13.1281 13.1739 13.1739 13.5187 13.5187 13.8082 13.8082 14.2198 14.2198 14.2277 14.2277 14.3777 14.3777 14.4597 14.4597 14.8114 14.8114 15.1028 15.1028 15.2571 15.2571 15.4109 15.4109 16.0713 16.0713 16.5746 16.5746 16.7261 16.7261 17.0244 17.0244 17.5404 17.5404 17.8538 17.8538 19.5457 19.5457 20.4213 20.4213 20.5899 20.5899 k = 0.5000 0.5000 0.0971 ( 3836 PWs) bands (ev): 3.7041 3.7041 3.7492 3.7492 4.0983 4.0983 5.5926 5.5926 5.8328 5.8328 5.9485 5.9485 8.3205 8.3205 8.6367 8.6367 8.7596 8.7596 10.6399 10.6399 10.7988 10.7988 10.8959 10.8959 11.2381 11.2381 11.4275 11.4275 11.5757 11.5757 11.6523 11.6523 12.5471 12.5471 12.5752 12.5752 12.7696 12.7696 13.0570 13.0570 13.1153 13.1153 13.1705 13.1705 13.5278 13.5278 13.7972 13.7972 14.1489 14.1489 14.1889 14.1889 14.3509 14.3509 14.4122 14.4122 14.8142 14.8142 15.1164 15.1164 15.2959 15.2959 15.4129 15.4129 16.0167 16.0167 16.6142 16.6142 16.7950 16.7950 17.0219 17.0219 17.5392 17.5392 17.8496 17.8496 19.5904 19.5904 20.4873 20.4873 20.6441 20.6441 k = 0.5000 0.5000 0.1092 ( 3844 PWs) bands (ev): 3.7048 3.7048 3.7486 3.7486 4.0975 4.0975 5.5908 5.5908 5.8318 5.8318 5.9476 5.9476 8.3260 8.3260 8.6476 8.6476 8.7742 8.7742 10.6381 10.6381 10.7915 10.7915 10.8918 10.8918 11.2540 11.2540 11.3792 11.3792 11.5728 11.5728 11.6593 11.6593 12.5664 12.5664 12.5686 12.5686 12.7778 12.7778 13.1045 13.1045 13.1282 13.1282 13.1675 13.1675 13.5376 13.5376 13.7839 13.7839 14.0701 14.0701 14.1549 14.1549 14.3249 14.3249 14.3666 14.3666 14.8156 14.8156 15.1299 15.1299 15.3329 15.3329 15.4156 15.4156 15.9551 15.9551 16.6516 16.6516 16.8657 16.8657 17.0235 17.0235 17.5384 17.5384 17.8447 17.8447 19.6401 19.6401 20.5566 20.5566 20.7068 20.7068 k = 0.5000 0.5000 0.1214 ( 3852 PWs) bands (ev): 3.7055 3.7055 3.7480 3.7480 4.0968 4.0968 5.5889 5.5889 5.8306 5.8306 5.9467 5.9467 8.3319 8.3319 8.6592 8.6592 8.7898 8.7898 10.6363 10.6363 10.7848 10.7848 10.8866 10.8866 11.2711 11.2711 11.3271 11.3271 11.5777 11.5777 11.6667 11.6667 12.5572 12.5572 12.5813 12.5813 12.7838 12.7838 13.0964 13.0964 13.1639 13.1639 13.2085 13.2085 13.5480 13.5480 13.7681 13.7681 13.9929 13.9929 14.1199 14.1199 14.2973 14.2973 14.3254 14.3254 14.8158 14.8158 15.1430 15.1430 15.3675 15.3675 15.4188 15.4188 15.8871 15.8871 16.6852 16.6852 16.9369 16.9369 17.0302 17.0302 17.5380 17.5380 17.8389 17.8389 19.6942 19.6942 20.6275 20.6275 20.7782 20.7782 k = 0.5000 0.5000 0.1335 ( 3844 PWs) bands (ev): 3.7062 3.7062 3.7474 3.7474 4.0961 4.0961 5.5870 5.5870 5.8295 5.8295 5.9458 5.9458 8.3379 8.3379 8.6712 8.6712 8.8059 8.8059 10.6345 10.6345 10.7786 10.7786 10.8804 10.8804 11.2755 11.2755 11.2893 11.2893 11.5864 11.5864 11.6745 11.6745 12.5476 12.5476 12.5869 12.5869 12.7875 12.7875 13.0919 13.0919 13.1619 13.1619 13.2936 13.2936 13.5588 13.5588 13.7490 13.7490 13.9189 13.9189 14.0857 14.0857 14.2627 14.2627 14.2935 14.2935 14.8153 14.8153 15.1556 15.1556 15.3995 15.3995 15.4225 15.4225 15.8134 15.8134 16.7135 16.7135 17.0075 17.0075 17.0423 17.0423 17.5379 17.5379 17.8321 17.8321 19.7523 19.7523 20.6989 20.6989 20.8584 20.8584 k = 0.5000 0.5000 0.1456 ( 3852 PWs) bands (ev): 3.7070 3.7070 3.7468 3.7468 4.0953 4.0953 5.5850 5.5850 5.8283 5.8283 5.9448 5.9448 8.3441 8.3441 8.6834 8.6834 8.8224 8.8224 10.6327 10.6327 10.7731 10.7731 10.8733 10.8733 11.2258 11.2258 11.3081 11.3081 11.5971 11.5971 11.6826 11.6826 12.5372 12.5372 12.5868 12.5868 12.7891 12.7891 13.0911 13.0911 13.1604 13.1604 13.3826 13.3826 13.5700 13.5700 13.7252 13.7252 13.8507 13.8507 14.0538 14.0538 14.2232 14.2232 14.2691 14.2691 14.8140 14.8140 15.1678 15.1678 15.4264 15.4264 15.4278 15.4278 15.7356 15.7356 16.7362 16.7362 17.0596 17.0596 17.0766 17.0766 17.5381 17.5381 17.8243 17.8243 19.8138 19.8138 20.7701 20.7701 20.9465 20.9465 k = 0.5000 0.5000 0.1578 ( 3852 PWs) bands (ev): 3.7077 3.7077 3.7461 3.7461 4.0945 4.0945 5.5831 5.5831 5.8272 5.8272 5.9439 5.9439 8.3503 8.3503 8.6956 8.6956 8.8389 8.8389 10.6310 10.6310 10.7682 10.7682 10.8657 10.8657 11.1791 11.1791 11.3272 11.3272 11.6091 11.6091 11.6908 11.6908 12.5260 12.5260 12.5820 12.5820 12.7892 12.7892 13.0934 13.0934 13.1597 13.1597 13.4737 13.4737 13.5816 13.5816 13.6938 13.6938 13.7923 13.7923 14.0251 14.0251 14.1842 14.1842 14.2477 14.2477 14.8124 14.8124 15.1794 15.1794 15.4306 15.4306 15.4502 15.4502 15.6564 15.6564 16.7535 16.7535 17.0809 17.0809 17.1434 17.1434 17.5386 17.5386 17.8153 17.8153 19.8781 19.8781 20.8404 20.8404 21.0416 21.0416 k = 0.5000 0.5000 0.1699 ( 3836 PWs) bands (ev): 3.7084 3.7084 3.7455 3.7455 4.0937 4.0937 5.5812 5.5812 5.8261 5.8261 5.9431 5.9431 8.3565 8.3565 8.7075 8.7075 8.8551 8.8551 10.6294 10.6294 10.7640 10.7640 10.8577 10.8577 11.1359 11.1359 11.3464 11.3464 11.6218 11.6218 11.6991 11.6991 12.5139 12.5139 12.5735 12.5735 12.7888 12.7888 13.0980 13.0980 13.1597 13.1597 13.5642 13.5642 13.5941 13.5941 13.6527 13.6527 13.7474 13.7474 13.9999 13.9999 14.1485 14.1485 14.2280 14.2280 14.8104 14.8104 15.1902 15.1902 15.4347 15.4347 15.4570 15.4570 15.5862 15.5862 16.7661 16.7661 17.1047 17.1047 17.2075 17.2075 17.5393 17.5393 17.8050 17.8050 19.9444 19.9444 20.9093 20.9093 21.1429 21.1429 k = 0.5000 0.5000 0.1820 ( 3828 PWs) bands (ev): 3.7091 3.7091 3.7450 3.7450 4.0930 4.0930 5.5794 5.5794 5.8251 5.8251 5.9423 5.9423 8.3623 8.3623 8.7189 8.7189 8.8708 8.8708 10.6280 10.6280 10.7606 10.7606 10.8495 10.8495 11.0965 11.0965 11.3652 11.3652 11.6348 11.6348 11.7071 11.7071 12.5011 12.5011 12.5621 12.5621 12.7888 12.7888 13.1035 13.1035 13.1605 13.1605 13.6043 13.6043 13.6058 13.6058 13.6551 13.6551 13.7134 13.7134 13.9776 13.9776 14.1188 14.1188 14.2105 14.2105 14.8083 14.8083 15.2003 15.2003 15.4191 15.4191 15.4388 15.4388 15.5544 15.5544 16.7753 16.7753 17.1293 17.1293 17.2684 17.2684 17.5402 17.5402 17.7933 17.7933 20.0115 20.0115 20.9758 20.9758 21.2495 21.2496 k = 0.5000 0.5000 0.1942 ( 3828 PWs) bands (ev): 3.7098 3.7098 3.7444 3.7444 4.0923 4.0923 5.5777 5.5777 5.8241 5.8241 5.9415 5.9415 8.3679 8.3679 8.7296 8.7296 8.8854 8.8854 10.6267 10.6267 10.7579 10.7579 10.8413 10.8413 11.0611 11.0611 11.3833 11.3833 11.6477 11.6477 11.7147 11.7147 12.4877 12.4877 12.5489 12.5489 12.7899 12.7899 13.1082 13.1082 13.1618 13.1618 13.5604 13.5604 13.6173 13.6173 13.6850 13.6850 13.7373 13.7373 13.9565 13.9565 14.0982 14.0982 14.1973 14.1973 14.8062 14.8062 15.2095 15.2095 15.3397 15.3397 15.4427 15.4427 15.5585 15.5585 16.7819 16.7819 17.1535 17.1535 17.3259 17.3259 17.5413 17.5413 17.7800 17.7800 20.0785 20.0785 21.0389 21.0389 21.3607 21.3607 k = 0.5000 0.5000 0.2063 ( 3828 PWs) bands (ev): 3.7104 3.7104 3.7439 3.7439 4.0917 4.0917 5.5762 5.5762 5.8232 5.8232 5.9408 5.9408 8.3729 8.3729 8.7393 8.7393 8.8989 8.8989 10.6256 10.6256 10.7559 10.7559 10.8334 10.8334 11.0300 11.0300 11.4002 11.4002 11.6601 11.6601 11.7219 11.7219 12.4742 12.4742 12.5346 12.5346 12.7927 12.7927 13.1104 13.1104 13.1635 13.1635 13.5214 13.5214 13.6309 13.6309 13.6591 13.6591 13.8064 13.8064 13.9360 13.9360 14.0882 14.0882 14.1945 14.1945 14.8042 14.8042 15.2176 15.2176 15.2468 15.2468 15.4462 15.4462 15.5710 15.5710 16.7866 16.7866 17.1759 17.1759 17.3797 17.3797 17.5425 17.5425 17.7650 17.7650 20.1437 20.1437 21.0973 21.0973 21.4756 21.4756 k = 0.5000 0.5000 0.2185 ( 3828 PWs) bands (ev): 3.7109 3.7109 3.7435 3.7435 4.0912 4.0912 5.5749 5.5749 5.8225 5.8225 5.9403 5.9403 8.3774 8.3774 8.7480 8.7480 8.9109 8.9109 10.6247 10.6247 10.7546 10.7546 10.8260 10.8260 11.0034 11.0034 11.4155 11.4155 11.6717 11.6717 11.7283 11.7283 12.4613 12.4613 12.5203 12.5203 12.7972 12.7972 13.1088 13.1088 13.1653 13.1653 13.4918 13.4918 13.6344 13.6344 13.6456 13.6456 13.8496 13.8496 13.9217 13.9217 14.0833 14.0833 14.2141 14.2141 14.8023 14.8023 15.1488 15.1488 15.2247 15.2247 15.4494 15.4494 15.5841 15.5841 16.7901 16.7901 17.1958 17.1958 17.4298 17.4298 17.5437 17.5437 17.7481 17.7481 20.2053 20.2053 21.1497 21.1497 21.5933 21.5933 k = 0.5000 0.5000 0.2306 ( 3824 PWs) bands (ev): 3.7113 3.7113 3.7432 3.7432 4.0907 4.0907 5.5738 5.5738 5.8218 5.8218 5.9398 5.9398 8.3813 8.3813 8.7553 8.7553 8.9211 8.9211 10.6239 10.6239 10.7538 10.7538 10.8193 10.8193 10.9814 10.9814 11.4288 11.4288 11.6819 11.6819 11.7339 11.7339 12.4495 12.4495 12.5069 12.5069 12.8031 12.8031 13.1030 13.1030 13.1672 13.1672 13.4726 13.4726 13.6110 13.6110 13.6617 13.6617 13.8513 13.8513 13.9290 13.9290 14.0745 14.0745 14.2642 14.2642 14.8006 14.8006 15.0484 15.0484 15.2305 15.2305 15.4521 15.4521 15.5955 15.5955 16.7925 16.7925 17.2126 17.2126 17.4761 17.4761 17.5448 17.5448 17.7291 17.7291 20.2612 20.2612 21.1947 21.1947 21.7120 21.7120 k = 0.5000 0.5000 0.2427 ( 3824 PWs) bands (ev): 3.7117 3.7117 3.7429 3.7429 4.0903 4.0903 5.5729 5.5729 5.8213 5.8213 5.9394 5.9394 8.3844 8.3844 8.7612 8.7612 8.9292 8.9292 10.6233 10.6233 10.7535 10.7535 10.8137 10.8137 10.9642 10.9642 11.4397 11.4397 11.6905 11.6905 11.7384 11.7384 12.4395 12.4395 12.4954 12.4954 12.8098 12.8098 13.0940 13.0940 13.1688 13.1688 13.4633 13.4633 13.5893 13.5893 13.6796 13.6796 13.8297 13.8297 13.9472 13.9472 14.0610 14.0610 14.3381 14.3381 14.7993 14.7993 14.9469 14.9469 15.2352 15.2352 15.4543 15.4543 15.6048 15.6048 16.7943 16.7943 17.2259 17.2259 17.5186 17.5186 17.5458 17.5458 17.7079 17.7079 20.3089 20.3089 21.2311 21.2311 21.8289 21.8289 k = 0.5000 0.5000 0.2549 ( 3832 PWs) bands (ev): 3.7119 3.7119 3.7427 3.7427 4.0901 4.0901 5.5722 5.5722 5.8209 5.8209 5.9391 5.9391 8.3866 8.3866 8.7654 8.7654 8.9352 8.9352 10.6229 10.6229 10.7535 10.7535 10.8093 10.8093 10.9518 10.9518 11.4477 11.4477 11.6969 11.6969 11.7417 11.7417 12.4319 12.4319 12.4865 12.4865 12.8161 12.8161 13.0844 13.0844 13.1701 13.1701 13.4614 13.4614 13.5707 13.5707 13.6991 13.6991 13.8035 13.8035 13.9644 13.9644 14.0453 14.0453 14.4246 14.4246 14.7983 14.7983 14.8461 14.8461 15.2385 15.2385 15.4559 15.4559 15.6115 15.6115 16.7955 16.7955 17.2356 17.2356 17.5466 17.5466 17.5573 17.5573 17.6846 17.6846 20.3456 20.3456 21.2579 21.2579 21.9377 21.9377 k = 0.5000 0.5000 0.2670 ( 3832 PWs) bands (ev): 3.7121 3.7121 3.7425 3.7425 4.0899 4.0899 5.5718 5.5718 5.8207 5.8207 5.9389 5.9389 8.3880 8.3880 8.7680 8.7680 8.9389 8.9389 10.6227 10.6227 10.7537 10.7537 10.8066 10.8066 10.9443 10.9443 11.4527 11.4527 11.7009 11.7009 11.7437 11.7437 12.4271 12.4271 12.4809 12.4809 12.8206 12.8206 13.0770 13.0770 13.1709 13.1709 13.4633 13.4633 13.5573 13.5573 13.7196 13.7196 13.7782 13.7782 13.9792 13.9792 14.0306 14.0306 14.5136 14.5136 14.7503 14.7503 14.7977 14.7977 15.2405 15.2405 15.4569 15.4569 15.6156 15.6156 16.7961 16.7961 17.2415 17.2415 17.5470 17.5470 17.5917 17.5917 17.6594 17.6594 20.3689 20.3689 21.2743 21.2743 22.0241 22.0241 k = 0.5000 0.5000 0.2791 ( 3824 PWs) bands (ev): 3.7122 3.7122 3.7425 3.7425 4.0898 4.0898 5.5717 5.5717 5.8206 5.8206 5.9389 5.9389 8.3884 8.3884 8.7689 8.7689 8.9401 8.9401 10.6226 10.6226 10.7537 10.7537 10.8056 10.8056 10.9419 10.9419 11.4544 11.4544 11.7023 11.7023 11.7444 11.7444 12.4255 12.4255 12.4790 12.4790 12.8223 12.8223 13.0742 13.0742 13.1712 13.1712 13.4646 13.4646 13.5522 13.5522 13.7331 13.7331 13.7630 13.7630 13.9867 13.9867 14.0230 14.0230 14.5704 14.5704 14.6913 14.6913 14.7975 14.7975 15.2412 15.2412 15.4572 15.4572 15.6170 15.6170 16.7963 16.7963 17.2434 17.2434 17.5472 17.5472 17.6135 17.6135 17.6406 17.6406 20.3769 20.3769 21.2798 21.2798 22.0598 22.0602 Writing output data file TlPPt5.save init_run : 0.44s CPU 0.60s WALL ( 1 calls) electrons : 401.96s CPU 407.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 401.95s CPU 407.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.10s WALL ( 352 calls) cegterg : 380.41s CPU 385.49s WALL ( 717 calls) Called by sum_band: Called by *egterg: h_psi : 148.29s CPU 151.66s WALL ( 11462 calls) s_psi : 22.28s CPU 22.21s WALL ( 11462 calls) g_psi : 0.57s CPU 0.52s WALL ( 10393 calls) cdiaghg : 179.79s CPU 181.93s WALL ( 10745 calls) cegterg:over : 18.78s CPU 18.73s WALL ( 10393 calls) cegterg:upda : 14.83s CPU 14.51s WALL ( 10393 calls) cegterg:last : 7.68s CPU 7.65s WALL ( 1773 calls) cdiaghg:chol : 10.81s CPU 10.75s WALL ( 10745 calls) cdiaghg:inve : 7.77s CPU 7.99s WALL ( 10745 calls) cdiaghg:para : 13.83s CPU 14.08s WALL ( 21490 calls) Called by h_psi: h_psi:vloc : 102.32s CPU 105.18s WALL ( 11462 calls) h_psi:vnl : 45.44s CPU 45.93s WALL ( 11462 calls) add_vuspsi : 26.18s CPU 26.32s WALL ( 11462 calls) General routines calbec : 19.20s CPU 19.57s WALL ( 11462 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.98s CPU 94.48s WALL ( 1878980 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.31s WALL ( 704 calls) Parallel routines fft_scatter : 47.22s CPU 48.29s WALL ( 1879003 calls) PWSCF : 7m 7.30s CPU 7m41.34s WALL This run was terminated on: 21:10:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=