Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:45: 8 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: ./MgCuGe.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 30 8 2420 1148 182 Max 49 31 9 2431 1169 191 Sum 1757 1085 317 87359 41839 6659 bravais-lattice index = 14 lattice parameter (alat) = 7.5721 a.u. unit-cell volume = 682.2898 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.572132 celldm(2)= 1.000000 celldm(3)= 1.571500 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 1.571500 ) 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 0.636335 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Mg 10.00 24.30500 Mg( 1.00) Cu 11.00 63.54600 Cu( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028090 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028090 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028090 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028090 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028090 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028090 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028090 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028090 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028090 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028090 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028090 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028090 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028090 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028090 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028090 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028090 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028090 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028090 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028090 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028090 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028090 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028090 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0028090 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028090 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028090 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028090 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028090 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028090 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028090 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028090 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028090 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028090 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028090 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028090 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028090 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028090 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028090 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028090 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028090 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028090 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0028090 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028090 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0028090 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028090 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028090 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028090 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028090 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028090 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028090 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028090 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028090 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028090 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028090 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028090 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028090 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028090 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028090 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0028090 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028090 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028090 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028090 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028090 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028090 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028090 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028090 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0028090 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028090 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028090 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0028090 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028090 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028090 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028090 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028090 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028090 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028090 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0028090 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028090 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0028090 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028090 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028090 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0028090 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028090 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028090 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028090 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028090 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028090 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0028090 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028090 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0028090 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028090 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028090 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028090 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028090 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028090 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0028090 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028090 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0028090 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028090 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028090 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0028090 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028090 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0028090 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028090 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028090 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028090 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028090 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028090 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028090 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028090 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0028090 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028090 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028090 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028090 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.0127267), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.0254534), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.0381801), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.0509068), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.0636335), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.0763602), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.0890869), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.1018136), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.1145403), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.1272670), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.1399936), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.1527203), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.1654470), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.1781737), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.1909004), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.2036271), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.2163538), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.2290805), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.2418072), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.2545339), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.2672606), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.2799873), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.2927140), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3054407), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3181674), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.3181674), wk = 0.0028090 k( 167) = ( 0.0000000 0.0125000 0.3181674), wk = 0.0028090 k( 168) = ( 0.0000000 0.0250000 0.3181674), wk = 0.0028090 k( 169) = ( 0.0000000 0.0375000 0.3181674), wk = 0.0028090 k( 170) = ( 0.0000000 0.0500000 0.3181674), wk = 0.0028090 k( 171) = ( 0.0000000 0.0625000 0.3181674), wk = 0.0028090 k( 172) = ( 0.0000000 0.0750000 0.3181674), wk = 0.0028090 k( 173) = ( 0.0000000 0.0875000 0.3181674), wk = 0.0028090 k( 174) = ( 0.0000000 0.1000000 0.3181674), wk = 0.0028090 k( 175) = ( 0.0000000 0.1125000 0.3181674), wk = 0.0028090 k( 176) = ( 0.0000000 0.1250000 0.3181674), wk = 0.0028090 k( 177) = ( 0.0000000 0.1375000 0.3181674), wk = 0.0028090 k( 178) = ( 0.0000000 0.1500000 0.3181674), wk = 0.0028090 k( 179) = ( 0.0000000 0.1625000 0.3181674), wk = 0.0028090 k( 180) = ( 0.0000000 0.1750000 0.3181674), wk = 0.0028090 k( 181) = ( 0.0000000 0.1875000 0.3181674), wk = 0.0028090 k( 182) = ( 0.0000000 0.2000000 0.3181674), wk = 0.0028090 k( 183) = ( 0.0000000 0.2125000 0.3181674), wk = 0.0028090 k( 184) = ( 0.0000000 0.2250000 0.3181674), wk = 0.0028090 k( 185) = ( 0.0000000 0.2375000 0.3181674), wk = 0.0028090 k( 186) = ( 0.0000000 0.2500000 0.3181674), wk = 0.0028090 k( 187) = ( 0.0000000 0.2625000 0.3181674), wk = 0.0028090 k( 188) = ( 0.0000000 0.2750000 0.3181674), wk = 0.0028090 k( 189) = ( 0.0000000 0.2875000 0.3181674), wk = 0.0028090 k( 190) = ( 0.0000000 0.3000000 0.3181674), wk = 0.0028090 k( 191) = ( 0.0000000 0.3125000 0.3181674), wk = 0.0028090 k( 192) = ( 0.0000000 0.3250000 0.3181674), wk = 0.0028090 k( 193) = ( 0.0000000 0.3375000 0.3181674), wk = 0.0028090 k( 194) = ( 0.0000000 0.3500000 0.3181674), wk = 0.0028090 k( 195) = ( 0.0000000 0.3625000 0.3181674), wk = 0.0028090 k( 196) = ( 0.0000000 0.3750000 0.3181674), wk = 0.0028090 k( 197) = ( 0.0000000 0.3875000 0.3181674), wk = 0.0028090 k( 198) = ( 0.0000000 0.4000000 0.3181674), wk = 0.0028090 k( 199) = ( 0.0000000 0.4125000 0.3181674), wk = 0.0028090 k( 200) = ( 0.0000000 0.4250000 0.3181674), wk = 0.0028090 k( 201) = ( 0.0000000 0.4375000 0.3181674), wk = 0.0028090 k( 202) = ( 0.0000000 0.4500000 0.3181674), wk = 0.0028090 k( 203) = ( 0.0000000 0.4625000 0.3181674), wk = 0.0028090 k( 204) = ( 0.0000000 0.4750000 0.3181674), wk = 0.0028090 k( 205) = ( 0.0000000 0.4875000 0.3181674), wk = 0.0028090 k( 206) = ( 0.0000000 0.5000000 0.3181674), wk = 0.0028090 k( 207) = ( 0.0000000 0.5000000 0.3181674), wk = 0.0028090 k( 208) = ( 0.0125000 0.5000000 0.3181674), wk = 0.0028090 k( 209) = ( 0.0250000 0.5000000 0.3181674), wk = 0.0028090 k( 210) = ( 0.0375000 0.5000000 0.3181674), wk = 0.0028090 k( 211) = ( 0.0500000 0.5000000 0.3181674), wk = 0.0028090 k( 212) = ( 0.0625000 0.5000000 0.3181674), wk = 0.0028090 k( 213) = ( 0.0750000 0.5000000 0.3181674), wk = 0.0028090 k( 214) = ( 0.0875000 0.5000000 0.3181674), wk = 0.0028090 k( 215) = ( 0.1000000 0.5000000 0.3181674), wk = 0.0028090 k( 216) = ( 0.1125000 0.5000000 0.3181674), wk = 0.0028090 k( 217) = ( 0.1250000 0.5000000 0.3181674), wk = 0.0028090 k( 218) = ( 0.1375000 0.5000000 0.3181674), wk = 0.0028090 k( 219) = ( 0.1500000 0.5000000 0.3181674), wk = 0.0028090 k( 220) = ( 0.1625000 0.5000000 0.3181674), wk = 0.0028090 k( 221) = ( 0.1750000 0.5000000 0.3181674), wk = 0.0028090 k( 222) = ( 0.1875000 0.5000000 0.3181674), wk = 0.0028090 k( 223) = ( 0.2000000 0.5000000 0.3181674), wk = 0.0028090 k( 224) = ( 0.2125000 0.5000000 0.3181674), wk = 0.0028090 k( 225) = ( 0.2250000 0.5000000 0.3181674), wk = 0.0028090 k( 226) = ( 0.2375000 0.5000000 0.3181674), wk = 0.0028090 k( 227) = ( 0.2500000 0.5000000 0.3181674), wk = 0.0028090 k( 228) = ( 0.2625000 0.5000000 0.3181674), wk = 0.0028090 k( 229) = ( 0.2750000 0.5000000 0.3181674), wk = 0.0028090 k( 230) = ( 0.2875000 0.5000000 0.3181674), wk = 0.0028090 k( 231) = ( 0.3000000 0.5000000 0.3181674), wk = 0.0028090 k( 232) = ( 0.3125000 0.5000000 0.3181674), wk = 0.0028090 k( 233) = ( 0.3250000 0.5000000 0.3181674), wk = 0.0028090 k( 234) = ( 0.3375000 0.5000000 0.3181674), wk = 0.0028090 k( 235) = ( 0.3500000 0.5000000 0.3181674), wk = 0.0028090 k( 236) = ( 0.3625000 0.5000000 0.3181674), wk = 0.0028090 k( 237) = ( 0.3750000 0.5000000 0.3181674), wk = 0.0028090 k( 238) = ( 0.3875000 0.5000000 0.3181674), wk = 0.0028090 k( 239) = ( 0.4000000 0.5000000 0.3181674), wk = 0.0028090 k( 240) = ( 0.4125000 0.5000000 0.3181674), wk = 0.0028090 k( 241) = ( 0.4250000 0.5000000 0.3181674), wk = 0.0028090 k( 242) = ( 0.4375000 0.5000000 0.3181674), wk = 0.0028090 k( 243) = ( 0.4500000 0.5000000 0.3181674), wk = 0.0028090 k( 244) = ( 0.4625000 0.5000000 0.3181674), wk = 0.0028090 k( 245) = ( 0.4750000 0.5000000 0.3181674), wk = 0.0028090 k( 246) = ( 0.4875000 0.5000000 0.3181674), wk = 0.0028090 k( 247) = ( 0.5000000 0.5000000 0.3181674), wk = 0.0028090 k( 248) = ( 0.5000000 0.5000000 0.3181674), wk = 0.0028090 k( 249) = ( 0.4910714 0.4910714 0.3181674), wk = 0.0028090 k( 250) = ( 0.4821429 0.4821429 0.3181674), wk = 0.0028090 k( 251) = ( 0.4732143 0.4732143 0.3181674), wk = 0.0028090 k( 252) = ( 0.4642857 0.4642857 0.3181674), wk = 0.0028090 k( 253) = ( 0.4553571 0.4553571 0.3181674), wk = 0.0028090 k( 254) = ( 0.4464286 0.4464286 0.3181674), wk = 0.0028090 k( 255) = ( 0.4375000 0.4375000 0.3181674), wk = 0.0028090 k( 256) = ( 0.4285714 0.4285714 0.3181674), wk = 0.0028090 k( 257) = ( 0.4196429 0.4196429 0.3181674), wk = 0.0028090 k( 258) = ( 0.4107143 0.4107143 0.3181674), wk = 0.0028090 k( 259) = ( 0.4017857 0.4017857 0.3181674), wk = 0.0028090 k( 260) = ( 0.3928571 0.3928571 0.3181674), wk = 0.0028090 k( 261) = ( 0.3839286 0.3839286 0.3181674), wk = 0.0028090 k( 262) = ( 0.3750000 0.3750000 0.3181674), wk = 0.0028090 k( 263) = ( 0.3660714 0.3660714 0.3181674), wk = 0.0028090 k( 264) = ( 0.3571429 0.3571429 0.3181674), wk = 0.0028090 k( 265) = ( 0.3482143 0.3482143 0.3181674), wk = 0.0028090 k( 266) = ( 0.3392857 0.3392857 0.3181674), wk = 0.0028090 k( 267) = ( 0.3303571 0.3303571 0.3181674), wk = 0.0028090 k( 268) = ( 0.3214286 0.3214286 0.3181674), wk = 0.0028090 k( 269) = ( 0.3125000 0.3125000 0.3181674), wk = 0.0028090 k( 270) = ( 0.3035714 0.3035714 0.3181674), wk = 0.0028090 k( 271) = ( 0.2946429 0.2946429 0.3181674), wk = 0.0028090 k( 272) = ( 0.2857143 0.2857143 0.3181674), wk = 0.0028090 k( 273) = ( 0.2767857 0.2767857 0.3181674), wk = 0.0028090 k( 274) = ( 0.2678571 0.2678571 0.3181674), wk = 0.0028090 k( 275) = ( 0.2589286 0.2589286 0.3181674), wk = 0.0028090 k( 276) = ( 0.2500000 0.2500000 0.3181674), wk = 0.0028090 k( 277) = ( 0.2410714 0.2410714 0.3181674), wk = 0.0028090 k( 278) = ( 0.2321429 0.2321429 0.3181674), wk = 0.0028090 k( 279) = ( 0.2232143 0.2232143 0.3181674), wk = 0.0028090 k( 280) = ( 0.2142857 0.2142857 0.3181674), wk = 0.0028090 k( 281) = ( 0.2053571 0.2053571 0.3181674), wk = 0.0028090 k( 282) = ( 0.1964286 0.1964286 0.3181674), wk = 0.0028090 k( 283) = ( 0.1875000 0.1875000 0.3181674), wk = 0.0028090 k( 284) = ( 0.1785714 0.1785714 0.3181674), wk = 0.0028090 k( 285) = ( 0.1696429 0.1696429 0.3181674), wk = 0.0028090 k( 286) = ( 0.1607143 0.1607143 0.3181674), wk = 0.0028090 k( 287) = ( 0.1517857 0.1517857 0.3181674), wk = 0.0028090 k( 288) = ( 0.1428571 0.1428571 0.3181674), wk = 0.0028090 k( 289) = ( 0.1339286 0.1339286 0.3181674), wk = 0.0028090 k( 290) = ( 0.1250000 0.1250000 0.3181674), wk = 0.0028090 k( 291) = ( 0.1160714 0.1160714 0.3181674), wk = 0.0028090 k( 292) = ( 0.1071429 0.1071429 0.3181674), wk = 0.0028090 k( 293) = ( 0.0982143 0.0982143 0.3181674), wk = 0.0028090 k( 294) = ( 0.0892857 0.0892857 0.3181674), wk = 0.0028090 k( 295) = ( 0.0803571 0.0803571 0.3181674), wk = 0.0028090 k( 296) = ( 0.0714286 0.0714286 0.3181674), wk = 0.0028090 k( 297) = ( 0.0625000 0.0625000 0.3181674), wk = 0.0028090 k( 298) = ( 0.0535714 0.0535714 0.3181674), wk = 0.0028090 k( 299) = ( 0.0446429 0.0446429 0.3181674), wk = 0.0028090 k( 300) = ( 0.0357143 0.0357143 0.3181674), wk = 0.0028090 k( 301) = ( 0.0267857 0.0267857 0.3181674), wk = 0.0028090 k( 302) = ( 0.0178571 0.0178571 0.3181674), wk = 0.0028090 k( 303) = ( 0.0089286 0.0089286 0.3181674), wk = 0.0028090 k( 304) = ( 0.0000000 0.0000000 0.3181674), wk = 0.0028090 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 306) = ( 0.0000000 0.5000000 0.0127267), wk = 0.0028090 k( 307) = ( 0.0000000 0.5000000 0.0254534), wk = 0.0028090 k( 308) = ( 0.0000000 0.5000000 0.0381801), wk = 0.0028090 k( 309) = ( 0.0000000 0.5000000 0.0509068), wk = 0.0028090 k( 310) = ( 0.0000000 0.5000000 0.0636335), wk = 0.0028090 k( 311) = ( 0.0000000 0.5000000 0.0763602), wk = 0.0028090 k( 312) = ( 0.0000000 0.5000000 0.0890869), wk = 0.0028090 k( 313) = ( 0.0000000 0.5000000 0.1018136), wk = 0.0028090 k( 314) = ( 0.0000000 0.5000000 0.1145403), wk = 0.0028090 k( 315) = ( 0.0000000 0.5000000 0.1272670), wk = 0.0028090 k( 316) = ( 0.0000000 0.5000000 0.1399936), wk = 0.0028090 k( 317) = ( 0.0000000 0.5000000 0.1527203), wk = 0.0028090 k( 318) = ( 0.0000000 0.5000000 0.1654470), wk = 0.0028090 k( 319) = ( 0.0000000 0.5000000 0.1781737), wk = 0.0028090 k( 320) = ( 0.0000000 0.5000000 0.1909004), wk = 0.0028090 k( 321) = ( 0.0000000 0.5000000 0.2036271), wk = 0.0028090 k( 322) = ( 0.0000000 0.5000000 0.2163538), wk = 0.0028090 k( 323) = ( 0.0000000 0.5000000 0.2290805), wk = 0.0028090 k( 324) = ( 0.0000000 0.5000000 0.2418072), wk = 0.0028090 k( 325) = ( 0.0000000 0.5000000 0.2545339), wk = 0.0028090 k( 326) = ( 0.0000000 0.5000000 0.2672606), wk = 0.0028090 k( 327) = ( 0.0000000 0.5000000 0.2799873), wk = 0.0028090 k( 328) = ( 0.0000000 0.5000000 0.2927140), wk = 0.0028090 k( 329) = ( 0.0000000 0.5000000 0.3054407), wk = 0.0028090 k( 330) = ( 0.0000000 0.5000000 0.3181674), wk = 0.0028090 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.5000000 0.0127267), wk = 0.0028090 k( 333) = ( 0.5000000 0.5000000 0.0254534), wk = 0.0028090 k( 334) = ( 0.5000000 0.5000000 0.0381801), wk = 0.0028090 k( 335) = ( 0.5000000 0.5000000 0.0509068), wk = 0.0028090 k( 336) = ( 0.5000000 0.5000000 0.0636335), wk = 0.0028090 k( 337) = ( 0.5000000 0.5000000 0.0763602), wk = 0.0028090 k( 338) = ( 0.5000000 0.5000000 0.0890869), wk = 0.0028090 k( 339) = ( 0.5000000 0.5000000 0.1018136), wk = 0.0028090 k( 340) = ( 0.5000000 0.5000000 0.1145403), wk = 0.0028090 k( 341) = ( 0.5000000 0.5000000 0.1272670), wk = 0.0028090 k( 342) = ( 0.5000000 0.5000000 0.1399936), wk = 0.0028090 k( 343) = ( 0.5000000 0.5000000 0.1527203), wk = 0.0028090 k( 344) = ( 0.5000000 0.5000000 0.1654470), wk = 0.0028090 k( 345) = ( 0.5000000 0.5000000 0.1781737), wk = 0.0028090 k( 346) = ( 0.5000000 0.5000000 0.1909004), wk = 0.0028090 k( 347) = ( 0.5000000 0.5000000 0.2036271), wk = 0.0028090 k( 348) = ( 0.5000000 0.5000000 0.2163538), wk = 0.0028090 k( 349) = ( 0.5000000 0.5000000 0.2290805), wk = 0.0028090 k( 350) = ( 0.5000000 0.5000000 0.2418072), wk = 0.0028090 k( 351) = ( 0.5000000 0.5000000 0.2545339), wk = 0.0028090 k( 352) = ( 0.5000000 0.5000000 0.2672606), wk = 0.0028090 k( 353) = ( 0.5000000 0.5000000 0.2799873), wk = 0.0028090 k( 354) = ( 0.5000000 0.5000000 0.2927140), wk = 0.0028090 k( 355) = ( 0.5000000 0.5000000 0.3054407), wk = 0.0028090 k( 356) = ( 0.5000000 0.5000000 0.3181674), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0028090 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0028090 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0028090 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0028090 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0028090 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0028090 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0028090 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0028090 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0028090 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028090 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028090 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0028090 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028090 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0028090 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0028090 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0028090 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0028090 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028090 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0028090 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028090 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028090 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0028090 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0028090 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028090 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0028090 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028090 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028090 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0028090 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0028090 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028090 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0028090 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028090 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0028090 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028090 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0028090 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0028090 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0028090 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0028090 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028090 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0028090 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028090 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0028090 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0028090 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0028090 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0028090 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0028090 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028090 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0028090 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0028090 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0028090 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028090 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0028090 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0028090 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028090 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028090 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0028090 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0028090 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0028090 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0028090 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0028090 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0028090 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028090 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028090 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0028090 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0028090 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028090 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028090 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028090 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028090 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028090 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0028090 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0028090 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0028090 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028090 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0028090 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0028090 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028090 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028090 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028090 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028090 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0028090 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028090 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0028090 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028090 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0028090 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028090 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0028090 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0028090 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0028090 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028090 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028090 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028090 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028090 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0028090 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028090 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0028090 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028090 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0028090 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028090 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0028090 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028090 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0028090 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028090 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0028090 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028090 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028090 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0028090 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028090 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0028090 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028090 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028090 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028090 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0028090 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028090 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028090 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028090 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0028090 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028090 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028090 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028090 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 167) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0028090 k( 168) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0028090 k( 169) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0028090 k( 170) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028090 k( 171) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028090 k( 172) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0028090 k( 173) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0028090 k( 174) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028090 k( 175) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0028090 k( 176) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028090 k( 177) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0028090 k( 178) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028090 k( 179) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0028090 k( 180) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0028090 k( 181) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028090 k( 182) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028090 k( 183) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0028090 k( 184) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0028090 k( 186) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028090 k( 187) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0028090 k( 188) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0028090 k( 189) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0028090 k( 190) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028090 k( 191) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028090 k( 192) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0028090 k( 193) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0028090 k( 194) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028090 k( 195) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0028090 k( 196) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028090 k( 197) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0028090 k( 198) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028090 k( 199) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0028090 k( 200) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0028090 k( 201) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028090 k( 202) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028090 k( 203) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0028090 k( 204) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0028090 k( 205) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0028090 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 208) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0028090 k( 209) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028090 k( 212) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0028090 k( 213) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0028090 k( 214) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0028090 k( 215) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028090 k( 216) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0028090 k( 217) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028090 k( 218) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0028090 k( 219) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028090 k( 220) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0028090 k( 221) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0028090 k( 222) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0028090 k( 223) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028090 k( 224) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0028090 k( 225) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0028090 k( 226) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0028090 k( 227) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028090 k( 228) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0028090 k( 229) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0028090 k( 230) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0028090 k( 231) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028090 k( 232) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0028090 k( 233) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0028090 k( 234) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0028090 k( 235) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028090 k( 236) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0028090 k( 237) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028090 k( 238) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0028090 k( 239) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028090 k( 240) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0028090 k( 241) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0028090 k( 242) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0028090 k( 243) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028090 k( 244) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0028090 k( 245) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0028090 k( 246) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0028090 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 249) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0028090 k( 250) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0028090 k( 251) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0028090 k( 252) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0028090 k( 253) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0028090 k( 254) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0028090 k( 255) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0028090 k( 256) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0028090 k( 257) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0028090 k( 258) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0028090 k( 259) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0028090 k( 260) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0028090 k( 261) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0028090 k( 262) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0028090 k( 263) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0028090 k( 264) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0028090 k( 265) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0028090 k( 266) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0028090 k( 267) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0028090 k( 268) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028090 k( 269) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028090 k( 270) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028090 k( 271) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0028090 k( 272) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028090 k( 273) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0028090 k( 274) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028090 k( 275) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0028090 k( 276) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 277) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0028090 k( 278) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028090 k( 279) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0028090 k( 280) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028090 k( 281) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0028090 k( 282) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028090 k( 283) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028090 k( 284) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028090 k( 285) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0028090 k( 286) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028090 k( 287) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0028090 k( 288) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028090 k( 289) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0028090 k( 290) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028090 k( 291) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0028090 k( 292) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028090 k( 293) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0028090 k( 294) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028090 k( 295) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0028090 k( 296) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028090 k( 297) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028090 k( 298) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028090 k( 299) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0028090 k( 300) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028090 k( 301) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0028090 k( 302) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028090 k( 303) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0028090 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 305) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 306) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0028090 k( 307) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0028090 k( 308) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0028090 k( 309) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0028090 k( 310) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028090 k( 311) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0028090 k( 312) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0028090 k( 313) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0028090 k( 314) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0028090 k( 315) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028090 k( 316) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0028090 k( 317) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0028090 k( 318) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0028090 k( 319) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0028090 k( 320) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028090 k( 321) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0028090 k( 322) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0028090 k( 323) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0028090 k( 324) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0028090 k( 325) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028090 k( 326) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0028090 k( 327) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0028090 k( 328) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0028090 k( 329) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0028090 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0028090 k( 333) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0028090 k( 334) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0028090 k( 335) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0028090 k( 336) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028090 k( 337) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0028090 k( 338) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0028090 k( 339) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0028090 k( 340) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0028090 k( 341) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028090 k( 342) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0028090 k( 343) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0028090 k( 344) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0028090 k( 345) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0028090 k( 346) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028090 k( 347) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0028090 k( 348) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0028090 k( 349) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0028090 k( 350) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0028090 k( 351) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028090 k( 352) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0028090 k( 353) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0028090 k( 354) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0028090 k( 355) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0028090 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 87359 G-vectors FFT dimensions: ( 48, 48, 75) Smooth grid: 41839 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 316, 60) NL pseudopotentials 0.30 Mb ( 158, 124) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2431) G-vector shells 0.01 Mb ( 1234) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 316, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.23 Mb ( 124, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./MgCuGe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.6 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 13.0 secs Computing kpt #: 19 total cpu time spent up to now is 13.5 secs Computing kpt #: 20 total cpu time spent up to now is 14.1 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.8 secs Computing kpt #: 24 total cpu time spent up to now is 16.3 secs Computing kpt #: 25 total cpu time spent up to now is 16.9 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 18.0 secs Computing kpt #: 28 total cpu time spent up to now is 18.5 secs Computing kpt #: 29 total cpu time spent up to now is 19.1 secs Computing kpt #: 30 total cpu time spent up to now is 19.6 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.7 secs Computing kpt #: 35 total cpu time spent up to now is 22.2 secs Computing kpt #: 36 total cpu time spent up to now is 22.7 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.7 secs Computing kpt #: 39 total cpu time spent up to now is 24.2 secs Computing kpt #: 40 total cpu time spent up to now is 24.7 secs Computing kpt #: 41 total cpu time spent up to now is 25.1 secs Computing kpt #: 42 total cpu time spent up to now is 25.6 secs Computing kpt #: 43 total cpu time spent up to now is 26.1 secs Computing kpt #: 44 total cpu time spent up to now is 26.6 secs Computing kpt #: 45 total cpu time spent up to now is 27.1 secs Computing kpt #: 46 total cpu time spent up to now is 27.5 secs Computing kpt #: 47 total cpu time spent up to now is 28.0 secs Computing kpt #: 48 total cpu time spent up to now is 28.5 secs Computing kpt #: 49 total cpu time spent up to now is 29.0 secs Computing kpt #: 50 total cpu time spent up to now is 29.5 secs Computing kpt #: 51 total cpu time spent up to now is 30.0 secs Computing kpt #: 52 total cpu time spent up to now is 30.5 secs Computing kpt #: 53 total cpu time spent up to now is 31.0 secs Computing kpt #: 54 total cpu time spent up to now is 31.5 secs Computing kpt #: 55 total cpu time spent up to now is 32.0 secs Computing kpt #: 56 total cpu time spent up to now is 32.5 secs Computing kpt #: 57 total cpu time spent up to now is 33.1 secs Computing kpt #: 58 total cpu time spent up to now is 33.5 secs Computing kpt #: 59 total cpu time spent up to now is 34.0 secs Computing kpt #: 60 total cpu time spent up to now is 34.5 secs Computing kpt #: 61 total cpu time spent up to now is 35.0 secs Computing kpt #: 62 total cpu time spent up to now is 35.4 secs Computing kpt #: 63 total cpu time spent up to now is 35.9 secs Computing kpt #: 64 total cpu time spent up to now is 36.3 secs Computing kpt #: 65 total cpu time spent up to now is 36.7 secs Computing kpt #: 66 total cpu time spent up to now is 37.2 secs Computing kpt #: 67 total cpu time spent up to now is 37.6 secs Computing kpt #: 68 total cpu time spent up to now is 38.1 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 38.9 secs Computing kpt #: 71 total cpu time spent up to now is 39.4 secs Computing kpt #: 72 total cpu time spent up to now is 39.8 secs Computing kpt #: 73 total cpu time spent up to now is 40.2 secs Computing kpt #: 74 total cpu time spent up to now is 40.6 secs Computing kpt #: 75 total cpu time spent up to now is 41.0 secs Computing kpt #: 76 total cpu time spent up to now is 41.5 secs Computing kpt #: 77 total cpu time spent up to now is 41.9 secs Computing kpt #: 78 total cpu time spent up to now is 42.3 secs Computing kpt #: 79 total cpu time spent up to now is 42.7 secs Computing kpt #: 80 total cpu time spent up to now is 43.1 secs Computing kpt #: 81 total cpu time spent up to now is 43.5 secs Computing kpt #: 82 total cpu time spent up to now is 43.9 secs Computing kpt #: 83 total cpu time spent up to now is 44.3 secs Computing kpt #: 84 total cpu time spent up to now is 44.8 secs Computing kpt #: 85 total cpu time spent up to now is 45.2 secs Computing kpt #: 86 total cpu time spent up to now is 45.6 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.4 secs Computing kpt #: 89 total cpu time spent up to now is 46.8 secs Computing kpt #: 90 total cpu time spent up to now is 47.2 secs Computing kpt #: 91 total cpu time spent up to now is 47.7 secs Computing kpt #: 92 total cpu time spent up to now is 48.1 secs Computing kpt #: 93 total cpu time spent up to now is 48.5 secs Computing kpt #: 94 total cpu time spent up to now is 48.9 secs Computing kpt #: 95 total cpu time spent up to now is 49.3 secs Computing kpt #: 96 total cpu time spent up to now is 49.8 secs Computing kpt #: 97 total cpu time spent up to now is 50.2 secs Computing kpt #: 98 total cpu time spent up to now is 50.6 secs Computing kpt #: 99 total cpu time spent up to now is 51.1 secs Computing kpt #: 100 total cpu time spent up to now is 51.5 secs Computing kpt #: 101 total cpu time spent up to now is 51.9 secs Computing kpt #: 102 total cpu time spent up to now is 52.4 secs Computing kpt #: 103 total cpu time spent up to now is 52.8 secs Computing kpt #: 104 total cpu time spent up to now is 53.3 secs Computing kpt #: 105 total cpu time spent up to now is 53.8 secs Computing kpt #: 106 total cpu time spent up to now is 54.3 secs Computing kpt #: 107 total cpu time spent up to now is 54.9 secs Computing kpt #: 108 total cpu time spent up to now is 55.4 secs Computing kpt #: 109 total cpu time spent up to now is 55.9 secs Computing kpt #: 110 total cpu time spent up to now is 56.5 secs Computing kpt #: 111 total cpu time spent up to now is 57.0 secs Computing kpt #: 112 total cpu time spent up to now is 57.6 secs Computing kpt 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spent up to now is 65.7 secs Computing kpt #: 129 total cpu time spent up to now is 66.1 secs Computing kpt #: 130 total cpu time spent up to now is 66.7 secs Computing kpt #: 131 total cpu time spent up to now is 67.3 secs Computing kpt #: 132 total cpu time spent up to now is 67.8 secs Computing kpt #: 133 total cpu time spent up to now is 68.4 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.6 secs Computing kpt #: 136 total cpu time spent up to now is 70.2 secs Computing kpt #: 137 total cpu time spent up to now is 70.8 secs Computing kpt #: 138 total cpu time spent up to now is 71.3 secs Computing kpt #: 139 total cpu time spent up to now is 71.9 secs Computing kpt #: 140 total cpu time spent up to now is 72.6 secs Computing kpt #: 141 total cpu time spent up to now is 73.2 secs Computing kpt #: 142 total cpu time spent up to now is 73.7 secs Computing kpt #: 143 total cpu time spent up to now is 74.2 secs Computing kpt #: 144 total cpu time spent up to now is 74.6 secs Computing kpt #: 145 total cpu time spent up to now is 75.1 secs Computing kpt #: 146 total cpu time spent up to now is 75.5 secs Computing kpt #: 147 total cpu time spent up to now is 75.9 secs Computing kpt #: 148 total cpu time spent up to now is 76.3 secs Computing kpt #: 149 total cpu time spent up to now is 76.7 secs Computing kpt #: 150 total cpu time spent up to now is 77.1 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 77.9 secs Computing kpt #: 153 total cpu time spent up to now is 78.3 secs Computing kpt #: 154 total cpu time spent up to now is 78.7 secs Computing kpt #: 155 total cpu time spent up to now is 79.1 secs Computing kpt #: 156 total cpu time spent up to now is 79.5 secs Computing kpt #: 157 total cpu time spent up to now is 79.9 secs Computing kpt #: 158 total cpu time spent up to now is 80.3 secs Computing kpt #: 159 total cpu time spent up to now is 80.8 secs Computing kpt #: 160 total cpu time spent up to now is 81.2 secs Computing kpt #: 161 total cpu time spent up to now is 81.6 secs Computing kpt #: 162 total cpu time spent up to now is 82.0 secs Computing kpt #: 163 total cpu time spent up to now is 82.4 secs Computing kpt #: 164 total cpu time spent up to now is 83.0 secs Computing kpt #: 165 total cpu time spent up to now is 83.6 secs Computing kpt #: 166 total cpu time spent up to now is 84.2 secs Computing kpt #: 167 total cpu time spent up to now is 84.8 secs Computing kpt #: 168 total cpu time spent up to now is 85.4 secs Computing kpt #: 169 total cpu time spent up to now is 85.9 secs Computing kpt #: 170 total cpu time spent up to now is 86.4 secs Computing kpt #: 171 total cpu time spent up to now is 86.9 secs Computing kpt #: 172 total cpu time spent up to now is 87.4 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.3 secs Computing kpt #: 175 total cpu time spent up to now is 88.8 secs Computing kpt #: 176 total cpu time spent up to now is 89.3 secs Computing kpt #: 177 total cpu time spent up to now is 89.8 secs Computing kpt #: 178 total cpu time spent up to now is 90.3 secs Computing kpt #: 179 total cpu time spent up to now is 90.9 secs Computing kpt #: 180 total cpu time spent up to now is 91.4 secs Computing kpt #: 181 total cpu time spent up to now is 92.0 secs Computing kpt #: 182 total cpu time spent up to now is 92.5 secs Computing kpt #: 183 total cpu time spent up to now is 93.0 secs Computing kpt #: 184 total cpu time spent up to now is 93.5 secs Computing kpt #: 185 total cpu time spent up to now is 94.0 secs Computing kpt #: 186 total cpu time spent up to now is 94.4 secs Computing kpt #: 187 total cpu time spent up to now is 94.9 secs Computing kpt #: 188 total cpu time spent up to now is 95.4 secs Computing kpt #: 189 total cpu time spent up to now is 95.9 secs Computing kpt #: 190 total cpu time spent up to now is 96.4 secs Computing kpt #: 191 total cpu time spent up to now is 96.9 secs Computing kpt #: 192 total cpu time spent up to now is 97.5 secs Computing kpt #: 193 total cpu time spent up to now is 98.0 secs Computing kpt #: 194 total cpu time spent up to now is 98.5 secs Computing kpt #: 195 total cpu time spent up to now is 99.0 secs Computing kpt #: 196 total cpu time spent up to now is 99.5 secs Computing kpt #: 197 total cpu time spent up to now is 100.0 secs Computing kpt #: 198 total cpu time spent up to now is 100.5 secs Computing kpt #: 199 total cpu time spent up to now is 101.0 secs Computing kpt #: 200 total cpu time spent up to now is 101.6 secs Computing kpt #: 201 total cpu time spent up to now is 102.1 secs Computing kpt #: 202 total cpu time spent up to now is 102.7 secs Computing kpt #: 203 total cpu time spent up to now is 103.3 secs Computing kpt #: 204 total cpu time spent up to now is 103.8 secs Computing kpt #: 205 total cpu time spent up to now is 104.3 secs Computing kpt #: 206 total cpu time spent up to now is 104.9 secs Computing kpt #: 207 total cpu time spent up to now is 105.3 secs Computing kpt #: 208 total cpu time spent up to now is 105.8 secs Computing kpt #: 209 total cpu time spent up to now is 106.3 secs Computing kpt #: 210 total cpu time spent up to now is 106.8 secs Computing kpt #: 211 total cpu time spent up to now is 107.3 secs Computing kpt #: 212 total cpu time spent up to now is 107.8 secs Computing kpt #: 213 total cpu time spent up to now is 108.3 secs Computing kpt #: 214 total cpu time spent up to now is 108.8 secs Computing kpt #: 215 total cpu time spent up to now is 109.2 secs Computing kpt #: 216 total cpu time spent up to now is 109.7 secs Computing kpt #: 217 total cpu time spent up to now is 110.1 secs Computing kpt #: 218 total cpu time spent up to now is 110.6 secs Computing kpt #: 219 total cpu time spent up to now is 111.0 secs Computing kpt #: 220 total cpu time spent up to now is 111.5 secs Computing kpt #: 221 total cpu time spent up to now is 111.9 secs Computing kpt #: 222 total cpu time spent up to now is 112.4 secs Computing kpt #: 223 total cpu time spent up to now is 112.8 secs Computing kpt #: 224 total cpu time spent up to now is 113.3 secs Computing kpt #: 225 total cpu time spent up to now is 113.7 secs Computing kpt #: 226 total cpu time spent up to now is 114.2 secs Computing kpt #: 227 total cpu time spent up to now is 114.6 secs Computing kpt #: 228 total cpu time spent up to now is 115.1 secs Computing kpt #: 229 total cpu time spent up to now is 115.5 secs Computing kpt #: 230 total cpu time spent up to now is 116.0 secs Computing kpt #: 231 total cpu time spent up to now is 116.4 secs Computing kpt #: 232 total cpu time spent up to now is 116.9 secs Computing kpt #: 233 total cpu time spent up to now is 117.3 secs Computing kpt #: 234 total cpu time spent up to now is 117.8 secs Computing kpt #: 235 total cpu time spent up to now is 118.2 secs Computing kpt #: 236 total cpu time spent up to now is 118.7 secs Computing kpt #: 237 total cpu time spent up to now is 119.2 secs Computing kpt #: 238 total cpu time spent up to now is 119.6 secs Computing kpt #: 239 total cpu time spent up to now is 120.1 secs Computing kpt #: 240 total cpu time spent up to now is 120.6 secs Computing kpt #: 241 total cpu time spent up to now is 121.1 secs Computing kpt #: 242 total cpu time spent up to now is 121.5 secs Computing kpt #: 243 total cpu time spent up to now is 122.0 secs Computing kpt #: 244 total cpu time spent up to now is 122.5 secs Computing kpt #: 245 total cpu time spent up to now is 123.0 secs Computing kpt #: 246 total cpu time spent up to now is 123.5 secs Computing kpt #: 247 total cpu time spent up to now is 124.0 secs Computing kpt #: 248 total cpu time spent up to now is 124.5 secs Computing kpt #: 249 total cpu time spent up to now is 125.0 secs Computing kpt #: 250 total cpu time spent up to now is 125.5 secs Computing kpt #: 251 total cpu time spent up to now is 126.0 secs Computing kpt #: 252 total cpu time spent up to now is 126.5 secs Computing kpt #: 253 total cpu time spent up to now is 127.0 secs Computing kpt #: 254 total cpu time spent up to now is 127.5 secs Computing kpt #: 255 total cpu time spent up to now is 128.0 secs Computing kpt #: 256 total cpu time spent up to now is 128.5 secs Computing kpt #: 257 total cpu time spent up to now is 129.0 secs Computing kpt #: 258 total cpu time spent up to now is 129.6 secs Computing kpt #: 259 total cpu time spent up to now is 130.1 secs Computing kpt #: 260 total cpu time spent up to now is 130.6 secs Computing kpt #: 261 total cpu time spent up to now is 131.1 secs Computing kpt #: 262 total cpu time spent up to now is 131.6 secs Computing kpt #: 263 total cpu time spent up to now is 132.2 secs Computing kpt #: 264 total cpu time spent up to now is 132.7 secs Computing kpt #: 265 total cpu time spent up to now is 133.3 secs Computing kpt #: 266 total cpu time spent up to now is 133.8 secs Computing kpt #: 267 total cpu time spent up to now is 134.3 secs Computing kpt #: 268 total cpu time spent up to now is 134.9 secs Computing kpt #: 269 total cpu time spent up to now is 135.4 secs Computing kpt #: 270 total cpu time spent up to now is 136.0 secs Computing kpt #: 271 total cpu time spent up to now is 136.5 secs Computing kpt #: 272 total cpu time spent up to now is 137.1 secs Computing kpt #: 273 total cpu time spent up to now is 137.6 secs Computing kpt #: 274 total cpu time spent up to now is 138.1 secs Computing kpt #: 275 total cpu time spent up to now is 138.6 secs Computing kpt #: 276 total cpu time spent up to now is 139.1 secs Computing kpt #: 277 total cpu time spent up to now is 139.6 secs Computing kpt #: 278 total cpu time spent up to now is 140.2 secs Computing kpt #: 279 total cpu time spent up to now is 140.7 secs Computing kpt #: 280 total cpu time spent up to now is 141.2 secs Computing kpt #: 281 total cpu time spent up to now is 141.9 secs Computing kpt #: 282 total cpu time spent up to now is 142.5 secs Computing kpt #: 283 total cpu time spent up to now is 143.1 secs Computing kpt #: 284 total cpu time spent up to now is 143.7 secs Computing kpt #: 285 total cpu time spent up to now is 144.4 secs Computing kpt #: 286 total cpu time spent up to now is 145.0 secs Computing kpt #: 287 total cpu time spent up to now is 145.5 secs Computing kpt #: 288 total cpu time spent up to now is 146.1 secs Computing kpt #: 289 total cpu time spent up to now is 146.7 secs Computing kpt #: 290 total cpu time spent up to now is 147.2 secs Computing kpt #: 291 total cpu time spent up to now is 147.7 secs Computing kpt #: 292 total cpu time spent up to now is 148.3 secs Computing kpt #: 293 total cpu time spent up to now is 148.8 secs Computing kpt #: 294 total cpu time spent up to now is 149.3 secs Computing kpt #: 295 total cpu time spent up to now is 149.8 secs Computing kpt #: 296 total cpu time spent up to now is 150.2 secs Computing kpt #: 297 total cpu time spent up to now is 150.7 secs Computing kpt #: 298 total cpu time spent up to now is 151.2 secs Computing kpt #: 299 total cpu time spent up to now is 151.7 secs Computing kpt #: 300 total cpu time spent up to now is 152.2 secs Computing kpt #: 301 total cpu time spent up to now is 152.8 secs Computing kpt #: 302 total cpu time spent up to now is 153.3 secs Computing kpt #: 303 total cpu time spent up to now is 153.9 secs Computing kpt #: 304 total cpu time spent up to now is 154.5 secs Computing kpt #: 305 total cpu time spent up to now is 155.0 secs Computing kpt #: 306 total cpu time spent up to now is 155.4 secs Computing kpt #: 307 total cpu time spent up to now is 155.9 secs Computing kpt #: 308 total cpu time spent up to now is 156.4 secs Computing kpt #: 309 total cpu time spent up to now is 156.9 secs Computing kpt #: 310 total cpu time spent up to now is 157.3 secs Computing kpt #: 311 total cpu time spent up to now is 157.8 secs Computing kpt #: 312 total cpu time spent up to now is 158.3 secs Computing kpt #: 313 total cpu time spent up to now is 158.8 secs Computing kpt #: 314 total cpu time spent up to now is 159.3 secs Computing kpt #: 315 total cpu time spent up to now is 159.8 secs Computing kpt #: 316 total cpu time spent up to now is 160.3 secs Computing kpt #: 317 total cpu time spent up to now is 160.7 secs Computing kpt #: 318 total cpu time spent up to now is 161.2 secs Computing kpt #: 319 total cpu time spent up to now is 161.7 secs Computing kpt #: 320 total cpu time spent up to now is 162.2 secs Computing kpt #: 321 total cpu time spent up to now is 162.7 secs Computing kpt #: 322 total cpu time spent up to now is 163.2 secs Computing kpt #: 323 total cpu time spent up to now is 163.7 secs Computing kpt #: 324 total cpu time spent up to now is 164.2 secs Computing kpt #: 325 total cpu time spent up to now is 164.7 secs Computing kpt #: 326 total cpu time spent up to now is 165.2 secs Computing kpt #: 327 total cpu time spent up to now is 165.7 secs Computing kpt #: 328 total cpu time spent up to now is 166.2 secs Computing kpt #: 329 total cpu time spent up to now is 166.6 secs Computing kpt #: 330 total cpu time spent up to now is 167.1 secs Computing kpt #: 331 total cpu time spent up to now is 167.5 secs Computing kpt #: 332 total cpu time spent up to now is 167.9 secs Computing kpt #: 333 total cpu time spent up to now is 168.3 secs Computing kpt #: 334 total cpu time spent up to now is 168.7 secs Computing kpt #: 335 total cpu time spent up to now is 169.2 secs Computing kpt #: 336 total cpu time spent up to now is 169.6 secs Computing kpt #: 337 total cpu time spent up to now is 170.0 secs Computing kpt #: 338 total cpu time spent up to now is 170.4 secs Computing kpt #: 339 total cpu time spent up to now is 170.8 secs Computing kpt #: 340 total cpu time spent up to now is 171.2 secs Computing kpt #: 341 total cpu time spent up to now is 171.6 secs Computing kpt #: 342 total cpu time spent up to now is 172.0 secs Computing kpt #: 343 total cpu time spent up to now is 172.4 secs Computing kpt #: 344 total cpu time spent up to now is 172.9 secs Computing kpt #: 345 total cpu time spent up to now is 173.3 secs Computing kpt #: 346 total cpu time spent up to now is 173.7 secs Computing kpt #: 347 total cpu time spent up to now is 174.2 secs Computing kpt #: 348 total cpu time spent up to now is 174.6 secs Computing kpt #: 349 total cpu time spent up to now is 175.0 secs Computing kpt #: 350 total cpu time spent up to now is 175.5 secs Computing kpt #: 351 total cpu time spent up to now is 176.0 secs Computing kpt #: 352 total cpu time spent up to now is 176.5 secs Computing kpt #: 353 total cpu time spent up to now is 177.0 secs Computing kpt #: 354 total cpu time spent up to now is 177.5 secs Computing kpt #: 355 total cpu time spent up to now is 178.1 secs Computing kpt #: 356 total cpu time spent up to now is 178.6 secs ethr = 2.00E-08, avg # of iterations = 16.3 total cpu time spent up to now is 178.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5265 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3725 -34.3725 -34.1542 -34.1542 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.6028 -3.6028 -0.5379 -0.5379 3.4000 3.4000 5.0190 5.0190 5.1171 5.1171 5.3131 5.3131 5.3550 5.3550 5.5439 5.5439 5.6119 5.6119 5.6950 5.6950 5.7133 5.7133 5.8441 5.8441 5.8463 5.8463 5.9876 5.9876 6.0885 6.0885 6.1680 6.1680 8.7332 8.7332 8.9117 8.9117 9.6169 9.6169 10.8595 10.8595 11.4202 11.4202 13.2104 13.2104 k = 0.0000 0.0125-0.0000 ( 5265 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3725 -34.3725 -34.1541 -34.1541 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.6015 -3.6015 -0.5378 -0.5378 3.4014 3.4014 5.0081 5.0081 5.1053 5.1053 5.3213 5.3213 5.3563 5.3563 5.5431 5.5431 5.6115 5.6115 5.6958 5.6958 5.7126 5.7126 5.8465 5.8465 5.8472 5.8472 5.9848 5.9848 6.0955 6.0955 6.1742 6.1742 8.7212 8.7212 8.8986 8.8986 9.6388 9.6388 10.8522 10.8522 11.4246 11.4246 13.2134 13.2134 k = 0.0000 0.0250-0.0000 ( 5245 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3725 -34.3725 -34.1540 -34.1540 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.5976 -3.5976 -0.5375 -0.5375 3.4056 3.4056 4.9676 4.9676 5.0880 5.0880 5.3360 5.3360 5.3616 5.3616 5.5407 5.5407 5.6103 5.6103 5.6975 5.6975 5.7111 5.7111 5.8478 5.8478 5.8541 5.8541 5.9776 5.9776 6.1141 6.1141 6.1944 6.1944 8.6798 8.6798 8.8719 8.8719 9.6974 9.6974 10.8303 10.8303 11.4379 11.4379 13.2220 13.2220 k = 0.0000 0.0375-0.0000 ( 5245 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4149 -34.4149 -34.3726 -34.3726 -34.1539 -34.1539 -34.0911 -34.0911 -34.0874 -34.0874 -34.0861 -34.0861 -3.5911 -3.5911 -0.5369 -0.5369 3.4126 3.4126 4.8963 4.8963 5.0811 5.0811 5.3454 5.3454 5.3723 5.3723 5.5372 5.5372 5.6082 5.6082 5.6977 5.6977 5.7108 5.7108 5.8496 5.8496 5.8621 5.8621 5.9678 5.9678 6.1380 6.1380 6.2316 6.2316 8.6041 8.6041 8.8505 8.8505 9.7787 9.7787 10.7944 10.7944 11.4600 11.4600 13.2356 13.2356 k = 0.0000 0.0500-0.0000 ( 5245 PWs) bands (ev): -67.4457 -67.4457 -67.4334 -67.4334 -34.4148 -34.4148 -34.3727 -34.3727 -34.1537 -34.1537 -34.0911 -34.0911 -34.0876 -34.0876 -34.0861 -34.0861 -3.5820 -3.5820 -0.5362 -0.5362 3.4223 3.4223 4.8064 4.8064 5.0813 5.0813 5.3502 5.3502 5.3840 5.3840 5.5326 5.5326 5.6054 5.6054 5.6947 5.6947 5.7128 5.7128 5.8520 5.8520 5.8686 5.8686 5.9569 5.9569 6.1623 6.1623 6.2868 6.2868 8.5019 8.5019 8.8378 8.8378 9.8715 9.8715 10.7457 10.7457 11.4908 11.4908 13.2529 13.2529 k = 0.0000 0.0625-0.0000 ( 5235 PWs) bands (ev): -67.4457 -67.4457 -67.4335 -67.4335 -34.4146 -34.4146 -34.3728 -34.3728 -34.1535 -34.1535 -34.0911 -34.0911 -34.0878 -34.0878 -34.0862 -34.0862 -3.5703 -3.5703 -0.5355 -0.5355 3.4348 3.4348 4.7062 4.7062 5.0849 5.0849 5.3539 5.3539 5.3934 5.3934 5.5271 5.5271 5.6021 5.6021 5.6898 5.6898 5.7160 5.7160 5.8546 5.8546 5.8727 5.8727 5.9461 5.9461 6.1859 6.1859 6.3561 6.3561 8.3841 8.3841 8.8302 8.8302 9.9689 9.9689 10.6854 10.6854 11.5301 11.5301 13.2726 13.2726 k = 0.0000 0.0750-0.0000 ( 5235 PWs) bands (ev): -67.4456 -67.4456 -67.4335 -67.4335 -34.4144 -34.4144 -34.3730 -34.3730 -34.1532 -34.1532 -34.0911 -34.0911 -34.0881 -34.0881 -34.0862 -34.0862 -3.5561 -3.5561 -0.5347 -0.5347 3.4501 3.4501 4.6000 4.6000 5.0907 5.0907 5.3574 5.3574 5.3999 5.3999 5.5206 5.5206 5.5985 5.5985 5.6840 5.6840 5.7191 5.7191 5.8571 5.8571 5.8747 5.8747 5.9363 5.9363 6.2096 6.2096 6.4344 6.4344 8.2575 8.2575 8.8247 8.8247 10.0669 10.0669 10.6149 10.6149 11.5777 11.5777 13.2932 13.2932 k = 0.0000 0.0875-0.0000 ( 5239 PWs) bands (ev): -67.4456 -67.4456 -67.4336 -67.4336 -34.4142 -34.4142 -34.3732 -34.3732 -34.1529 -34.1529 -34.0911 -34.0911 -34.0885 -34.0885 -34.0863 -34.0863 -3.5392 -3.5392 -0.5341 -0.5341 3.4682 3.4682 4.4904 4.4904 5.0982 5.0982 5.3611 5.3611 5.4041 5.4041 5.5130 5.5130 5.5948 5.5948 5.6778 5.6778 5.7217 5.7217 5.8589 5.8589 5.8753 5.8753 5.9279 5.9279 6.2337 6.2337 6.5178 6.5178 8.1261 8.1261 8.8200 8.8200 10.1629 10.1629 10.5360 10.5360 11.6332 11.6332 13.3132 13.3132 k = 0.0000 0.1000-0.0000 ( 5245 PWs) bands (ev): -67.4455 -67.4455 -67.4337 -67.4337 -34.4140 -34.4140 -34.3735 -34.3735 -34.1526 -34.1526 -34.0911 -34.0911 -34.0889 -34.0889 -34.0863 -34.0863 -3.5198 -3.5198 -0.5338 -0.5338 3.4890 3.4890 4.3790 4.3790 5.1070 5.1070 5.3650 5.3650 5.4062 5.4062 5.5041 5.5041 5.5909 5.5909 5.6715 5.6715 5.7232 5.7232 5.8591 5.8591 5.8760 5.8760 5.9214 5.9214 6.2585 6.2585 6.6035 6.6035 7.9925 7.9925 8.8153 8.8153 10.2543 10.2543 10.4516 10.4516 11.6961 11.6961 13.3311 13.3311 k = 0.0000 0.1125-0.0000 ( 5237 PWs) bands (ev): -67.4454 -67.4454 -67.4337 -67.4337 -34.4137 -34.4137 -34.3737 -34.3737 -34.1522 -34.1522 -34.0911 -34.0911 -34.0893 -34.0893 -34.0864 -34.0864 -3.4979 -3.4979 -0.5338 -0.5338 3.5125 3.5125 4.2673 4.2673 5.1171 5.1171 5.3691 5.3691 5.4062 5.4062 5.4942 5.4942 5.5871 5.5871 5.6653 5.6653 5.7236 5.7236 5.8573 5.8573 5.8776 5.8776 5.9165 5.9165 6.2841 6.2841 6.6894 6.6894 7.8582 7.8582 8.8103 8.8103 10.3190 10.3190 10.3846 10.3846 11.7659 11.7659 13.3454 13.3454 k = 0.0000 0.1250-0.0000 ( 5235 PWs) bands (ev): -67.4453 -67.4453 -67.4338 -67.4338 -34.4134 -34.4134 -34.3740 -34.3740 -34.1517 -34.1517 -34.0912 -34.0912 -34.0897 -34.0897 -34.0865 -34.0865 -3.4734 -3.4734 -0.5345 -0.5345 3.5386 3.5386 4.1561 4.1561 5.1283 5.1283 5.3730 5.3730 5.4040 5.4040 5.4836 5.4836 5.5832 5.5832 5.6593 5.6593 5.7227 5.7227 5.8544 5.8544 5.8800 5.8800 5.9130 5.9130 6.3104 6.3104 6.7740 6.7740 7.7247 7.7247 8.8045 8.8045 10.2501 10.2501 10.4428 10.4428 11.8419 11.8419 13.3545 13.3545 k = 0.0000 0.1375-0.0000 ( 5231 PWs) bands (ev): -67.4452 -67.4452 -67.4339 -67.4339 -34.4130 -34.4130 -34.3743 -34.3743 -34.1513 -34.1513 -34.0913 -34.0913 -34.0902 -34.0902 -34.0865 -34.0865 -3.4464 -3.4464 -0.5359 -0.5359 3.5674 3.5674 4.0464 4.0464 5.1404 5.1404 5.3763 5.3763 5.3990 5.3990 5.4731 5.4731 5.5794 5.5794 5.6538 5.6538 5.7204 5.7204 5.8514 5.8514 5.8825 5.8825 5.9107 5.9107 6.3375 6.3375 6.8562 6.8562 7.5930 7.5930 8.7978 8.7978 10.1527 10.1527 10.5224 10.5224 11.9232 11.9232 13.3571 13.3571 k = 0.0000 0.1500-0.0000 ( 5231 PWs) bands (ev): -67.4451 -67.4451 -67.4340 -67.4340 -34.4127 -34.4127 -34.3747 -34.3747 -34.1507 -34.1507 -34.0915 -34.0915 -34.0906 -34.0906 -34.0866 -34.0866 -3.4169 -3.4169 -0.5384 -0.5384 3.5987 3.5987 3.9390 3.9390 5.1533 5.1533 5.3765 5.3765 5.3924 5.3924 5.4638 5.4638 5.5757 5.5757 5.6486 5.6486 5.7170 5.7170 5.8491 5.8491 5.8846 5.8846 5.9096 5.9096 6.3654 6.3654 6.9351 6.9351 7.4640 7.4640 8.7898 8.7898 10.0518 10.0518 10.5997 10.5997 12.0091 12.0091 13.3520 13.3520 k = 0.0000 0.1625-0.0000 ( 5225 PWs) bands (ev): -67.4450 -67.4450 -67.4341 -67.4341 -34.4123 -34.4123 -34.3750 -34.3750 -34.1501 -34.1501 -34.0920 -34.0920 -34.0908 -34.0908 -34.0867 -34.0867 -3.3850 -3.3850 -0.5421 -0.5421 3.6322 3.6322 3.8350 3.8350 5.1669 5.1669 5.3655 5.3655 5.3906 5.3906 5.4570 5.4570 5.5720 5.5720 5.6438 5.6438 5.7128 5.7128 5.8476 5.8476 5.8857 5.8857 5.9097 5.9097 6.3942 6.3942 7.0094 7.0094 7.3390 7.3390 8.7803 8.7803 9.9502 9.9502 10.6734 10.6734 12.0984 12.0984 13.3378 13.3378 k = 0.0000 0.1750-0.0000 ( 5233 PWs) bands (ev): -67.4449 -67.4449 -67.4343 -67.4343 -34.4118 -34.4118 -34.3755 -34.3755 -34.1495 -34.1495 -34.0926 -34.0926 -34.0909 -34.0909 -34.0868 -34.0868 -3.3505 -3.3505 -0.5474 -0.5474 3.6644 3.6644 3.7381 3.7381 5.1808 5.1808 5.3441 5.3441 5.3926 5.3926 5.4530 5.4530 5.5685 5.5685 5.6391 5.6391 5.7082 5.7082 5.8470 5.8470 5.8858 5.8858 5.9109 5.9109 6.4237 6.4237 7.0768 7.0768 7.2203 7.2203 8.7691 8.7691 9.8496 9.8496 10.7433 10.7433 12.1899 12.1899 13.3113 13.3113 k = 0.0000 0.1875-0.0000 ( 5229 PWs) bands (ev): -67.4447 -67.4447 -67.4344 -67.4344 -34.4114 -34.4114 -34.3759 -34.3759 -34.1488 -34.1488 -34.0933 -34.0933 -34.0909 -34.0909 -34.0869 -34.0869 -3.3137 -3.3137 -0.5544 -0.5544 3.6277 3.6277 3.7168 3.7168 5.1942 5.1942 5.3161 5.3161 5.3948 5.3948 5.4513 5.4513 5.5651 5.5651 5.6344 5.6344 5.7038 5.7038 5.8470 5.8470 5.8850 5.8850 5.9130 5.9130 6.4541 6.4541 7.0888 7.0888 7.1564 7.1564 8.7560 8.7560 9.7515 9.7515 10.8095 10.8095 12.2824 12.2824 13.2411 13.2411 k = 0.0000 0.2000-0.0000 ( 5225 PWs) bands (ev): -67.4446 -67.4446 -67.4345 -67.4345 -34.4109 -34.4109 -34.3763 -34.3763 -34.1481 -34.1481 -34.0941 -34.0941 -34.0909 -34.0909 -34.0870 -34.0870 -3.2744 -3.2744 -0.5636 -0.5636 3.5381 3.5381 3.7555 3.7555 5.2048 5.2048 5.2849 5.2849 5.3965 5.3965 5.4515 5.4515 5.5620 5.5620 5.6295 5.6295 5.7001 5.7001 5.8474 5.8474 5.8836 5.8836 5.9156 5.9156 6.4853 6.4853 6.9868 6.9868 7.2057 7.2057 8.7408 8.7408 9.6575 9.6575 10.8721 10.8721 12.3747 12.3747 13.1486 13.1486 k = 0.0000 0.2125-0.0000 ( 5225 PWs) bands (ev): -67.4444 -67.4444 -67.4347 -67.4347 -34.4104 -34.4104 -34.3768 -34.3768 -34.1474 -34.1474 -34.0949 -34.0949 -34.0910 -34.0910 -34.0871 -34.0871 -3.2328 -3.2328 -0.5751 -0.5751 3.4510 3.4510 3.7994 3.7994 5.2015 5.2015 5.2615 5.2615 5.3976 5.3976 5.4531 5.4531 5.5590 5.5590 5.6244 5.6244 5.6974 5.6974 5.8479 5.8479 5.8818 5.8818 5.9184 5.9184 6.5172 6.5172 6.8848 6.8848 7.2540 7.2540 8.7232 8.7232 9.5692 9.5692 10.9312 10.9312 12.4652 12.4652 13.0614 13.0614 k = 0.0000 0.2250-0.0000 ( 5229 PWs) bands (ev): -67.4443 -67.4443 -67.4348 -67.4348 -34.4099 -34.4099 -34.3774 -34.3774 -34.1466 -34.1466 -34.0958 -34.0958 -34.0910 -34.0910 -34.0873 -34.0873 -3.1888 -3.1888 -0.5894 -0.5894 3.3689 3.3689 3.8463 3.8463 5.1682 5.1682 5.2619 5.2619 5.3979 5.3979 5.4557 5.4557 5.5561 5.5561 5.6190 5.6190 5.6959 5.6959 5.8482 5.8482 5.8801 5.8801 5.9213 5.9213 6.5494 6.5494 6.7900 6.7900 7.2940 7.2940 8.7030 8.7030 9.4883 9.4883 10.9865 10.9865 12.5527 12.5527 12.9812 12.9812 k = 0.0000 0.2375-0.0000 ( 5229 PWs) bands (ev): -67.4441 -67.4441 -67.4350 -67.4350 -34.4093 -34.4093 -34.3779 -34.3779 -34.1458 -34.1458 -34.0967 -34.0967 -34.0910 -34.0910 -34.0874 -34.0874 -3.1426 -3.1426 -0.6066 -0.6066 3.2928 3.2928 3.8957 3.8957 5.1172 5.1172 5.2736 5.2736 5.3979 5.3979 5.4589 5.4589 5.5532 5.5532 5.6138 5.6138 5.6957 5.6957 5.8482 5.8482 5.8785 5.8785 5.9240 5.9240 6.5801 6.5801 6.7052 6.7052 7.3240 7.3240 8.6800 8.6800 9.4166 9.4166 11.0381 11.0381 12.6359 12.6359 12.9084 12.9084 k = 0.0000 0.2500-0.0000 ( 5231 PWs) bands (ev): -67.4440 -67.4440 -67.4352 -67.4352 -34.4087 -34.4087 -34.3785 -34.3785 -34.1450 -34.1450 -34.0976 -34.0976 -34.0910 -34.0910 -34.0875 -34.0875 -3.0940 -3.0940 -0.6271 -0.6271 3.2231 3.2231 3.9476 3.9476 5.0571 5.0571 5.2878 5.2878 5.3976 5.3976 5.4626 5.4626 5.5504 5.5504 5.6089 5.6089 5.6965 5.6965 5.8476 5.8476 5.8772 5.8772 5.9266 5.9266 6.5894 6.5894 6.6508 6.6508 7.3426 7.3426 8.6542 8.6542 9.3559 9.3559 11.0855 11.0855 12.7138 12.7138 12.8435 12.8435 k = 0.0000 0.2625-0.0000 ( 5230 PWs) bands (ev): -67.4438 -67.4438 -67.4353 -67.4353 -34.4081 -34.4081 -34.3790 -34.3790 -34.1441 -34.1441 -34.0986 -34.0986 -34.0910 -34.0910 -34.0876 -34.0876 -3.0433 -3.0433 -0.6511 -0.6511 3.1602 3.1602 4.0018 4.0018 4.9901 4.9901 5.3023 5.3023 5.3973 5.3973 5.4663 5.4663 5.5475 5.5475 5.6046 5.6046 5.6982 5.6982 5.8462 5.8462 5.8763 5.8763 5.9289 5.9289 6.5360 6.5360 6.6682 6.6682 7.3489 7.3489 8.6252 8.6252 9.3077 9.3077 11.1284 11.1284 12.7823 12.7823 12.7894 12.7894 k = 0.0000 0.2750-0.0000 ( 5230 PWs) bands (ev): -67.4436 -67.4436 -67.4355 -67.4355 -34.4075 -34.4075 -34.3797 -34.3797 -34.1431 -34.1431 -34.0997 -34.0997 -34.0909 -34.0909 -34.0878 -34.0878 -2.9904 -2.9904 -0.6788 -0.6788 3.1045 3.1045 4.0583 4.0583 4.9171 4.9171 5.3160 5.3160 5.3974 5.3974 5.4698 5.4698 5.5448 5.5448 5.6013 5.6013 5.7007 5.7007 5.8443 5.8443 5.8758 5.8758 5.9308 5.9308 6.4744 6.4744 6.7030 6.7030 7.3422 7.3422 8.5931 8.5931 9.2732 9.2732 11.1658 11.1658 12.7369 12.7369 12.8337 12.8337 k = 0.0000 0.2875-0.0000 ( 5228 PWs) bands (ev): -67.4434 -67.4434 -67.4357 -67.4357 -34.4068 -34.4068 -34.3803 -34.3803 -34.1422 -34.1422 -34.1007 -34.1007 -34.0909 -34.0909 -34.0879 -34.0879 -2.9353 -2.9353 -0.7105 -0.7105 3.0563 3.0563 4.1170 4.1170 4.8388 4.8388 5.3284 5.3284 5.3980 5.3980 5.4729 5.4729 5.5424 5.5424 5.5991 5.5991 5.7038 5.7038 5.8418 5.8418 5.8755 5.8755 5.9325 5.9325 6.4183 6.4183 6.7412 6.7412 7.3222 7.3222 8.5577 8.5577 9.2529 9.2529 11.1970 11.1970 12.6950 12.6950 12.7607 12.7607 k = 0.0000 0.3000-0.0000 ( 5228 PWs) bands (ev): -67.4432 -67.4432 -67.4359 -67.4359 -34.4061 -34.4061 -34.3810 -34.3810 -34.1412 -34.1412 -34.1018 -34.1018 -34.0909 -34.0909 -34.0880 -34.0880 -2.8782 -2.8782 -0.7461 -0.7461 3.0159 3.0159 4.1776 4.1776 4.7560 4.7560 5.3388 5.3388 5.3993 5.3993 5.4755 5.4755 5.5408 5.5408 5.5979 5.5979 5.7072 5.7072 5.8389 5.8389 5.8754 5.8754 5.9337 5.9337 6.3689 6.3689 6.7814 6.7814 7.2895 7.2895 8.5192 8.5192 9.2470 9.2470 11.2205 11.2205 12.6575 12.6575 12.6940 12.6940 k = 0.0000 0.3125-0.0000 ( 5226 PWs) bands (ev): -67.4430 -67.4430 -67.4361 -67.4361 -34.4054 -34.4054 -34.3816 -34.3816 -34.1401 -34.1401 -34.1030 -34.1030 -34.0908 -34.0908 -34.0882 -34.0882 -2.8191 -2.8191 -0.7858 -0.7858 2.9833 2.9833 4.2400 4.2400 4.6697 4.6697 5.3468 5.3468 5.4014 5.4014 5.4772 5.4772 5.5406 5.5406 5.5976 5.5976 5.7108 5.7108 5.8359 5.8359 5.8753 5.8753 5.9346 5.9346 6.3259 6.3259 6.8231 6.8231 7.2451 7.2451 8.4774 8.4774 9.2548 9.2548 11.2348 11.2348 12.6105 12.6105 12.6513 12.6513 k = 0.0000 0.3250-0.0000 ( 5226 PWs) bands (ev): -67.4428 -67.4428 -67.4363 -67.4363 -34.4047 -34.4047 -34.3823 -34.3823 -34.1391 -34.1391 -34.1041 -34.1041 -34.0908 -34.0908 -34.0883 -34.0883 -2.7581 -2.7581 -0.8297 -0.8297 2.9587 2.9587 4.3036 4.3036 4.5810 4.5810 5.3525 5.3525 5.4038 5.4038 5.4778 5.4778 5.5422 5.5422 5.5982 5.5982 5.7144 5.7144 5.8330 5.8330 5.8750 5.8750 5.9351 5.9351 6.2889 6.2889 6.8663 6.8663 7.1905 7.1905 8.4327 8.4327 9.2752 9.2752 11.2383 11.2383 12.5577 12.5577 12.6314 12.6314 k = 0.0000 0.3375-0.0000 ( 5242 PWs) bands (ev): -67.4426 -67.4426 -67.4365 -67.4365 -34.4040 -34.4040 -34.3831 -34.3831 -34.1380 -34.1380 -34.1053 -34.1053 -34.0908 -34.0908 -34.0884 -34.0884 -2.6952 -2.6952 -0.8775 -0.8775 2.9420 2.9420 4.3661 4.3661 4.4930 4.4930 5.3562 5.3562 5.4059 5.4059 5.4774 5.4774 5.5458 5.5458 5.5996 5.5996 5.7178 5.7178 5.8301 5.8301 5.8746 5.8746 5.9351 5.9351 6.2574 6.2574 6.9110 6.9110 7.1274 7.1274 8.3851 8.3851 9.3070 9.3070 11.2294 11.2294 12.5130 12.5130 12.6225 12.6225 k = 0.0000 0.3500-0.0000 ( 5242 PWs) bands (ev): -67.4424 -67.4424 -67.4367 -67.4367 -34.4033 -34.4033 -34.3838 -34.3838 -34.1369 -34.1369 -34.1065 -34.1065 -34.0908 -34.0908 -34.0886 -34.0886 -2.6305 -2.6305 -0.9291 -0.9291 2.9333 2.9333 4.3792 4.3792 4.4546 4.4546 5.3586 5.3586 5.4070 5.4070 5.4760 5.4760 5.5513 5.5513 5.6017 5.6017 5.7211 5.7211 5.8276 5.8276 5.8740 5.8740 5.9346 5.9346 6.2310 6.2310 6.9570 6.9570 7.0579 7.0579 8.3348 8.3348 9.3487 9.3487 11.2072 11.2072 12.4804 12.4804 12.6222 12.6222 k = 0.0000 0.3625-0.0000 ( 5246 PWs) bands (ev): -67.4422 -67.4422 -67.4370 -67.4370 -34.4025 -34.4025 -34.3846 -34.3846 -34.1358 -34.1358 -34.1077 -34.1077 -34.0907 -34.0907 -34.0887 -34.0887 -2.5641 -2.5641 -0.9845 -0.9845 2.9323 2.9323 4.2947 4.2947 4.5142 4.5142 5.3602 5.3602 5.4067 5.4067 5.4735 5.4735 5.5582 5.5582 5.6043 5.6043 5.7239 5.7239 5.8254 5.8254 5.8732 5.8732 5.9337 5.9337 6.2092 6.2092 6.9807 6.9807 7.0073 7.0073 8.2822 8.2822 9.3991 9.3991 11.1712 11.1712 12.4610 12.4610 12.6299 12.6299 k = 0.0000 0.3750-0.0000 ( 5242 PWs) bands (ev): -67.4419 -67.4419 -67.4372 -67.4372 -34.4017 -34.4017 -34.3853 -34.3853 -34.1346 -34.1346 -34.1090 -34.1090 -34.0907 -34.0907 -34.0889 -34.0889 -2.4961 -2.4961 -1.0433 -1.0433 2.9388 2.9388 4.2021 4.2021 4.5829 4.5829 5.3613 5.3613 5.4048 5.4048 5.4700 5.4700 5.5658 5.5658 5.6075 5.6075 5.7264 5.7264 5.8236 5.8236 5.8723 5.8723 5.9323 5.9323 6.1918 6.1918 6.9045 6.9045 7.0549 7.0549 8.2274 8.2274 9.4570 9.4570 11.1222 11.1222 12.4547 12.4547 12.6451 12.6451 k = 0.0000 0.3875-0.0000 ( 5246 PWs) bands (ev): -67.4417 -67.4417 -67.4374 -67.4374 -34.4010 -34.4010 -34.3861 -34.3861 -34.1334 -34.1334 -34.1102 -34.1102 -34.0906 -34.0906 -34.0890 -34.0890 -2.4265 -2.4265 -1.1053 -1.1053 2.9528 2.9528 4.1091 4.1091 4.6533 4.6533 5.3624 5.3624 5.4016 5.4016 5.4653 5.4653 5.5737 5.5737 5.6113 5.6113 5.7286 5.7286 5.8220 5.8220 5.8714 5.8714 5.9303 5.9303 6.1784 6.1784 6.8252 6.8252 7.1055 7.1055 8.1707 8.1707 9.5212 9.5212 11.0616 11.0616 12.4605 12.4605 12.6675 12.6675 k = 0.0000 0.4000-0.0000 ( 5242 PWs) bands (ev): -67.4415 -67.4415 -67.4376 -67.4376 -34.4001 -34.4001 -34.3869 -34.3869 -34.1322 -34.1322 -34.1115 -34.1115 -34.0906 -34.0906 -34.0891 -34.0891 -2.3556 -2.3556 -1.1702 -1.1702 2.9738 2.9738 4.0167 4.0167 4.7243 4.7243 5.3634 5.3634 5.3971 5.3971 5.4591 5.4591 5.5811 5.5811 5.6154 5.6154 5.7307 5.7307 5.8203 5.8203 5.8708 5.8708 5.9278 5.9278 6.1690 6.1690 6.7458 6.7458 7.1576 7.1576 8.1124 8.1124 9.5909 9.5909 10.9912 10.9912 12.4767 12.4767 12.6968 12.6968 k = 0.0000 0.4125-0.0000 ( 5234 PWs) bands (ev): -67.4412 -67.4412 -67.4379 -67.4379 -34.3993 -34.3993 -34.3877 -34.3877 -34.1309 -34.1309 -34.1128 -34.1128 -34.0905 -34.0905 -34.0893 -34.0893 -2.2834 -2.2834 -1.2377 -1.2377 3.0017 3.0017 3.9256 3.9256 4.7955 4.7955 5.3646 5.3646 5.3913 5.3913 5.4512 5.4512 5.5879 5.5879 5.6196 5.6196 5.7329 5.7329 5.8181 5.8181 5.8706 5.8706 5.9248 5.9248 6.1635 6.1635 6.6677 6.6677 7.2112 7.2112 8.0528 8.0528 9.6653 9.6653 10.9131 10.9131 12.5015 12.5015 12.7327 12.7327 k = 0.0000 0.4250-0.0000 ( 5222 PWs) bands (ev): -67.4410 -67.4410 -67.4381 -67.4381 -34.3985 -34.3985 -34.3885 -34.3885 -34.1297 -34.1297 -34.1141 -34.1141 -34.0904 -34.0904 -34.0894 -34.0894 -2.2101 -2.2101 -1.3074 -1.3074 3.0360 3.0360 3.8364 3.8364 4.8661 4.8661 5.3659 5.3659 5.3841 5.3841 5.4414 5.4414 5.5939 5.5939 5.6234 5.6234 5.7358 5.7358 5.8152 5.8152 5.8711 5.8711 5.9212 5.9212 6.1621 6.1621 6.5922 6.5922 7.2662 7.2662 7.9921 7.9921 9.7438 9.7438 10.8291 10.8291 12.5332 12.5332 12.7748 12.7748 k = 0.0000 0.4375-0.0000 ( 5224 PWs) bands (ev): -67.4408 -67.4408 -67.4383 -67.4383 -34.3977 -34.3977 -34.3893 -34.3893 -34.1284 -34.1284 -34.1154 -34.1154 -34.0904 -34.0904 -34.0895 -34.0895 -2.1357 -2.1357 -1.3790 -1.3790 3.0765 3.0765 3.7493 3.7493 4.9354 4.9354 5.3667 5.3667 5.3754 5.3754 5.4302 5.4302 5.5993 5.5993 5.6263 5.6263 5.7396 5.7396 5.8112 5.8112 5.8726 5.8726 5.9171 5.9171 6.1649 6.1649 6.5208 6.5208 7.3225 7.3225 7.9306 7.9306 9.8259 9.8259 10.7407 10.7407 12.5702 12.5702 12.8226 12.8226 k = 0.0000 0.4500-0.0000 ( 5228 PWs) bands (ev): -67.4405 -67.4405 -67.4386 -67.4386 -34.3968 -34.3968 -34.3901 -34.3901 -34.1271 -34.1271 -34.1167 -34.1167 -34.0903 -34.0903 -34.0896 -34.0896 -2.0605 -2.0605 -1.4522 -1.4522 3.1228 3.1228 3.6649 3.6649 5.0028 5.0028 5.3587 5.3587 5.3719 5.3719 5.4183 5.4183 5.6041 5.6041 5.6278 5.6278 5.7446 5.7446 5.8059 5.8059 5.8751 5.8751 5.9126 5.9126 6.1722 6.1722 6.4545 6.4545 7.3799 7.3799 7.8686 7.8686 9.9110 9.9110 10.6494 10.6494 12.6111 12.6111 12.8751 12.8751 k = 0.0000 0.4625-0.0000 ( 5240 PWs) bands (ev): -67.4403 -67.4403 -67.4388 -67.4388 -34.3960 -34.3960 -34.3910 -34.3910 -34.1259 -34.1259 -34.1180 -34.1180 -34.0903 -34.0903 -34.0897 -34.0897 -1.9847 -1.9847 -1.5267 -1.5267 3.1746 3.1746 3.5834 3.5834 5.0673 5.0673 5.3395 5.3395 5.3739 5.3739 5.4074 5.4074 5.6087 5.6087 5.6279 5.6279 5.7508 5.7508 5.7993 5.7993 5.8784 5.8784 5.9077 5.9077 6.1846 6.1846 6.3944 6.3944 7.4386 7.4386 7.8063 7.8063 9.9988 9.9988 10.5562 10.5562 12.6548 12.6548 12.9139 12.9139 k = 0.0000 0.4750-0.0000 ( 5232 PWs) bands (ev): -67.4400 -67.4400 -67.4391 -67.4391 -34.3952 -34.3952 -34.3918 -34.3918 -34.1246 -34.1246 -34.1193 -34.1193 -34.0902 -34.0902 -34.0898 -34.0898 -1.9083 -1.9083 -1.6022 -1.6022 3.2316 3.2316 3.5052 3.5052 5.1280 5.1280 5.3121 5.3121 5.3770 5.3770 5.3983 5.3983 5.6130 5.6130 5.6266 5.6266 5.7581 5.7581 5.7918 5.7918 5.8825 5.8825 5.9026 5.9026 6.2025 6.2025 6.3413 6.3413 7.4982 7.4982 7.7439 7.7439 10.0888 10.0888 10.4621 10.4621 12.7003 12.7003 12.8806 12.8806 k = 0.0000 0.4875-0.0000 ( 5234 PWs) bands (ev): -67.4398 -67.4398 -67.4393 -67.4393 -34.3943 -34.3943 -34.3926 -34.3926 -34.1233 -34.1233 -34.1206 -34.1206 -34.0901 -34.0901 -34.0899 -34.0899 -1.8316 -1.8316 -1.6783 -1.6783 3.2935 3.2935 3.4306 3.4306 5.1837 5.1837 5.2766 5.2766 5.3808 5.3808 5.3912 5.3912 5.6171 5.6171 5.6241 5.6241 5.7663 5.7663 5.7835 5.7835 5.8871 5.8871 5.8974 5.8974 6.2266 6.2266 6.2956 6.2956 7.5587 7.5587 7.6818 7.6818 10.1805 10.1805 10.3677 10.3677 12.7465 12.7465 12.8377 12.8377 k = 0.0000 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7549 -1.7549 -1.7549 -1.7549 3.3599 3.3599 3.3599 3.3599 5.2336 5.2336 5.2336 5.2336 5.3855 5.3855 5.3855 5.3855 5.6209 5.6209 5.6209 5.6209 5.7749 5.7749 5.7749 5.7749 5.8921 5.8921 5.8921 5.8921 6.2575 6.2575 6.2575 6.2575 7.6200 7.6200 7.6200 7.6200 10.2736 10.2736 10.2736 10.2736 12.7926 12.7926 12.7926 12.7926 k = 0.0000 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7549 -1.7549 -1.7549 -1.7549 3.3599 3.3599 3.3599 3.3599 5.2336 5.2336 5.2336 5.2336 5.3855 5.3855 5.3855 5.3855 5.6209 5.6209 5.6209 5.6209 5.7749 5.7749 5.7749 5.7749 5.8921 5.8921 5.8921 5.8921 6.2575 6.2575 6.2575 6.2575 7.6200 7.6200 7.6200 7.6200 10.2736 10.2736 10.2736 10.2736 12.7926 12.7926 12.7926 12.7926 k = 0.0125 0.5000-0.0000 ( 5238 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1219 -34.1219 -34.0900 -34.0900 -34.0899 -34.0899 -1.7540 -1.7540 -1.7539 -1.7539 3.3603 3.3603 3.3609 3.3609 5.2311 5.2311 5.2347 5.2347 5.3825 5.3825 5.3893 5.3893 5.6116 5.6116 5.6293 5.6293 5.7674 5.7674 5.7819 5.7819 5.8910 5.8910 5.8941 5.8941 6.2551 6.2551 6.2572 6.2572 7.6140 7.6140 7.6144 7.6144 10.2754 10.2754 10.2828 10.2828 12.7535 12.7535 12.7669 12.7669 k = 0.0250 0.5000-0.0000 ( 5230 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1222 -34.1222 -34.1219 -34.1219 -34.0900 -34.0900 -34.0898 -34.0898 -1.7510 -1.7510 -1.7508 -1.7508 3.3621 3.3621 3.3632 3.3632 5.2272 5.2272 5.2344 5.2344 5.3805 5.3805 5.3941 5.3941 5.6016 5.6016 5.6366 5.6366 5.7599 5.7599 5.7883 5.7883 5.8906 5.8906 5.8967 5.8967 6.2501 6.2501 6.2543 6.2543 7.5972 7.5972 7.5979 7.5979 10.2874 10.2874 10.3021 10.3021 12.6768 12.6768 12.6941 12.6941 k = 0.0375 0.5000-0.0000 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3936 -34.3936 -34.3935 -34.3935 -34.1223 -34.1223 -34.1219 -34.1219 -34.0899 -34.0899 -34.0896 -34.0896 -1.7461 -1.7461 -1.7458 -1.7458 3.3652 3.3652 3.3668 3.3668 5.2218 5.2218 5.2327 5.2327 5.3793 5.3793 5.3996 5.3996 5.5911 5.5911 5.6422 5.6422 5.7528 5.7528 5.7938 5.7938 5.8912 5.8912 5.9000 5.9000 6.2425 6.2425 6.2489 6.2489 7.5706 7.5706 7.5715 7.5715 10.3072 10.3072 10.3292 10.3292 12.5888 12.5888 12.6048 12.6048 k = 0.0500 0.5000-0.0000 ( 5230 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3937 -34.3937 -34.3936 -34.3936 -34.1225 -34.1225 -34.1220 -34.1220 -34.0898 -34.0898 -34.0894 -34.0894 -1.7392 -1.7392 -1.7388 -1.7388 3.3696 3.3696 3.3717 3.3717 5.2150 5.2150 5.2296 5.2296 5.3788 5.3788 5.4058 5.4058 5.5800 5.5800 5.6453 5.6453 5.7466 5.7466 5.7983 5.7983 5.8928 5.8928 5.9040 5.9040 6.2321 6.2321 6.2410 6.2410 7.5361 7.5361 7.5371 7.5371 10.3312 10.3312 10.3605 10.3605 12.5029 12.5029 12.5153 12.5153 k = 0.0625 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3938 -34.3938 -34.3936 -34.3936 -34.1227 -34.1227 -34.1221 -34.1221 -34.0896 -34.0896 -34.0891 -34.0891 -1.7304 -1.7304 -1.7299 -1.7299 3.3751 3.3751 3.3779 3.3779 5.2067 5.2067 5.2250 5.2250 5.3791 5.3791 5.4125 5.4125 5.5683 5.5683 5.6449 5.6449 5.7423 5.7423 5.8016 5.8016 5.8955 5.8955 5.9087 5.9087 6.2191 6.2191 6.2308 6.2308 7.4958 7.4958 7.4969 7.4969 10.3543 10.3543 10.3908 10.3908 12.4271 12.4271 12.4351 12.4351 k = 0.0750 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3939 -34.3939 -34.3937 -34.3937 -34.1230 -34.1230 -34.1222 -34.1222 -34.0894 -34.0894 -34.0888 -34.0888 -1.7197 -1.7197 -1.7190 -1.7190 3.3817 3.3817 3.3851 3.3851 5.1967 5.1967 5.2189 5.2189 5.3799 5.3799 5.4196 5.4196 5.5560 5.5560 5.6402 5.6402 5.7405 5.7405 5.8036 5.8036 5.8993 5.8993 5.9141 5.9141 6.2035 6.2035 6.2182 6.2182 7.4522 7.4522 7.4532 7.4532 10.3711 10.3711 10.4143 10.4143 12.3678 12.3678 12.3710 12.3710 k = 0.0875 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3940 -34.3940 -34.3938 -34.3938 -34.1232 -34.1232 -34.1224 -34.1224 -34.0892 -34.0892 -34.0885 -34.0885 -1.7070 -1.7070 -1.7062 -1.7062 3.3893 3.3893 3.3933 3.3933 5.1849 5.1849 5.2109 5.2109 5.3812 5.3812 5.4267 5.4267 5.5432 5.5432 5.6308 5.6308 5.7411 5.7411 5.8042 5.8042 5.9042 5.9042 5.9204 5.9204 6.1858 6.1858 6.2037 6.2037 7.4075 7.4075 7.4084 7.4084 10.3757 10.3757 10.4250 10.4250 12.3289 12.3289 12.3303 12.3303 k = 0.1000 0.5000-0.0000 ( 5210 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3941 -34.3941 -34.3939 -34.3939 -34.1235 -34.1235 -34.1226 -34.1226 -34.0889 -34.0889 -34.0881 -34.0881 -1.6925 -1.6925 -1.6916 -1.6916 3.3976 3.3976 3.4023 3.4023 5.1710 5.1710 5.2010 5.2010 5.3828 5.3828 5.4334 5.4334 5.5300 5.5300 5.6173 5.6173 5.7439 5.7439 5.8035 5.8035 5.9098 5.9098 5.9273 5.9273 6.1665 6.1665 6.1877 6.1877 7.3636 7.3636 7.3644 7.3644 10.3634 10.3634 10.4176 10.4176 12.3133 12.3133 12.3187 12.3187 k = 0.1125 0.5000-0.0000 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3943 -34.3943 -34.3941 -34.3941 -34.1238 -34.1238 -34.1228 -34.1228 -34.0886 -34.0886 -34.0877 -34.0877 -1.6761 -1.6761 -1.6751 -1.6751 3.4065 3.4065 3.4119 3.4119 5.1548 5.1548 5.1888 5.1888 5.3844 5.3844 5.4389 5.4389 5.5171 5.5171 5.6004 5.6004 5.7478 5.7478 5.8015 5.8015 5.9161 5.9161 5.9351 5.9351 6.1462 6.1462 6.1707 6.1707 7.3223 7.3223 7.3231 7.3231 10.3311 10.3311 10.3887 10.3887 12.3263 12.3263 12.3347 12.3347 k = 0.1250 0.5000-0.0000 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3944 -34.3944 -34.3942 -34.3942 -34.1241 -34.1241 -34.1231 -34.1231 -34.0882 -34.0882 -34.0873 -34.0873 -1.6579 -1.6579 -1.6569 -1.6569 3.4158 3.4158 3.4219 3.4219 5.1358 5.1358 5.1738 5.1738 5.3859 5.3859 5.4414 5.4414 5.5061 5.5061 5.5808 5.5808 5.7524 5.7524 5.7983 5.7983 5.9225 5.9225 5.9434 5.9434 6.1263 6.1263 6.1535 6.1535 7.2848 7.2848 7.2856 7.2856 10.2783 10.2783 10.3377 10.3377 12.3668 12.3668 12.3774 12.3774 k = 0.1375 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3946 -34.3946 -34.3944 -34.3944 -34.1245 -34.1245 -34.1234 -34.1234 -34.0878 -34.0878 -34.0869 -34.0869 -1.6380 -1.6380 -1.6369 -1.6369 3.4250 3.4250 3.4319 3.4319 5.1138 5.1138 5.1556 5.1556 5.3869 5.3869 5.4385 5.4385 5.4995 5.4995 5.5598 5.5598 5.7571 5.7571 5.7941 5.7941 5.9285 5.9285 5.9521 5.9521 6.1079 6.1079 6.1369 6.1369 7.2522 7.2522 7.2531 7.2531 10.2064 10.2064 10.2663 10.2663 12.4299 12.4299 12.4428 12.4428 k = 0.1500 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3948 -34.3948 -34.3946 -34.3946 -34.1248 -34.1248 -34.1237 -34.1237 -34.0874 -34.0874 -34.0864 -34.0864 -1.6165 -1.6165 -1.6152 -1.6152 3.4340 3.4340 3.4417 3.4417 5.0884 5.0884 5.1337 5.1337 5.3870 5.3870 5.4289 5.4289 5.4988 5.4988 5.5385 5.5385 5.7616 5.7616 5.7891 5.7891 5.9337 5.9337 5.9608 5.9608 6.0926 6.0926 6.1220 6.1220 7.2249 7.2249 7.2260 7.2260 10.1182 10.1182 10.1775 10.1775 12.5057 12.5057 12.5228 12.5228 k = 0.1625 0.5000-0.0000 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3950 -34.3950 -34.3948 -34.3948 -34.1252 -34.1252 -34.1240 -34.1240 -34.0870 -34.0870 -34.0860 -34.0860 -1.5933 -1.5933 -1.5920 -1.5920 3.4423 3.4423 3.4507 3.4507 5.0594 5.0594 5.1077 5.1077 5.3856 5.3856 5.4146 5.4146 5.5022 5.5022 5.5183 5.5183 5.7657 5.7657 5.7836 5.7836 5.9373 5.9373 5.9689 5.9689 6.0816 6.0816 6.1100 6.1100 7.2033 7.2033 7.2047 7.2047 10.0170 10.0170 10.0751 10.0751 12.5731 12.5731 12.5991 12.5991 k = 0.1750 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3952 -34.3952 -34.3950 -34.3950 -34.1255 -34.1255 -34.1243 -34.1243 -34.0865 -34.0865 -34.0855 -34.0855 -1.5685 -1.5685 -1.5671 -1.5671 3.4493 3.4493 3.4586 3.4586 5.0268 5.0268 5.0777 5.0777 5.3820 5.3820 5.3982 5.3982 5.5009 5.5009 5.5077 5.5077 5.7694 5.7694 5.7779 5.7779 5.9390 5.9390 5.9757 5.9757 6.0760 6.0760 6.1018 6.1018 7.1874 7.1874 7.1890 7.1890 9.9058 9.9058 9.9623 9.9623 12.5888 12.5888 12.6265 12.6265 k = 0.1875 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3954 -34.3954 -34.3952 -34.3952 -34.1259 -34.1259 -34.1247 -34.1247 -34.0860 -34.0860 -34.0850 -34.0850 -1.5423 -1.5423 -1.5408 -1.5408 3.4546 3.4546 3.4646 3.4646 4.9912 4.9912 5.0438 5.0438 5.3755 5.3755 5.3816 5.3816 5.4876 5.4876 5.5138 5.5138 5.7724 5.7724 5.7726 5.7726 5.9387 5.9387 5.9801 5.9801 6.0757 6.0757 6.0987 6.0987 7.1770 7.1770 7.1788 7.1788 9.7873 9.7873 9.8420 9.8420 12.5285 12.5285 12.5674 12.5674 k = 0.2000 0.5000-0.0000 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3956 -34.3956 -34.3954 -34.3954 -34.1263 -34.1263 -34.1250 -34.1250 -34.0856 -34.0856 -34.0845 -34.0845 -1.5147 -1.5147 -1.5132 -1.5132 3.4575 3.4575 3.4683 3.4683 4.9533 4.9533 5.0070 5.0070 5.3657 5.3657 5.3661 5.3661 5.4789 5.4789 5.5201 5.5201 5.7674 5.7674 5.7753 5.7753 5.9369 5.9369 5.9818 5.9818 6.0803 6.0803 6.1009 6.1009 7.1719 7.1719 7.1738 7.1738 9.6636 9.6636 9.7164 9.7164 12.4231 12.4231 12.4583 12.4583 k = 0.2125 0.5000-0.0000 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3959 -34.3959 -34.3956 -34.3956 -34.1266 -34.1266 -34.1253 -34.1253 -34.0851 -34.0851 -34.0840 -34.0840 -1.4859 -1.4859 -1.4843 -1.4843 3.4573 3.4573 3.4687 3.4687 4.9144 4.9144 4.9685 4.9685 5.3508 5.3508 5.3547 5.3547 5.4743 5.4743 5.5260 5.5260 5.7633 5.7633 5.7776 5.7776 5.9343 5.9343 5.9811 5.9811 6.0886 6.0886 6.1080 6.1080 7.1719 7.1719 7.1739 7.1739 9.5364 9.5364 9.5873 9.5873 12.2989 12.2989 12.3308 12.3308 k = 0.2250 0.5000-0.0000 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3961 -34.3961 -34.3958 -34.3958 -34.1269 -34.1269 -34.1257 -34.1257 -34.0846 -34.0846 -34.0835 -34.0835 -1.4558 -1.4558 -1.4542 -1.4542 3.4534 3.4534 3.4653 3.4653 4.8761 4.8761 4.9299 4.9299 5.3371 5.3371 5.3422 5.3422 5.4728 5.4728 5.5315 5.5315 5.7602 5.7602 5.7794 5.7794 5.9315 5.9315 5.9788 5.9788 6.0999 6.0999 6.1191 6.1191 7.1766 7.1766 7.1785 7.1785 9.4072 9.4072 9.4561 9.4561 12.1665 12.1665 12.1960 12.1960 k = 0.2375 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3963 -34.3963 -34.3960 -34.3960 -34.1273 -34.1273 -34.1260 -34.1260 -34.0841 -34.0841 -34.0831 -34.0831 -1.4248 -1.4248 -1.4231 -1.4231 3.4451 3.4451 3.4572 3.4572 4.8399 4.8399 4.8929 4.8929 5.3246 5.3246 5.3295 5.3295 5.4735 5.4735 5.5365 5.5365 5.7582 5.7582 5.7808 5.7808 5.9289 5.9289 5.9758 5.9758 6.1133 6.1133 6.1330 6.1330 7.1856 7.1856 7.1874 7.1874 9.2769 9.2769 9.3239 9.3239 12.0306 12.0306 12.0581 12.0581 k = 0.2500 0.5000-0.0000 ( 5230 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3965 -34.3965 -34.3963 -34.3963 -34.1276 -34.1276 -34.1264 -34.1264 -34.0836 -34.0836 -34.0826 -34.0826 -1.3928 -1.3928 -1.3911 -1.3911 3.4317 3.4317 3.4439 3.4439 4.8074 4.8074 4.8591 4.8591 5.3132 5.3132 5.3170 5.3170 5.4757 5.4757 5.5410 5.5410 5.7572 5.7572 5.7819 5.7819 5.9267 5.9267 5.9725 5.9725 6.1284 6.1284 6.1488 6.1488 7.1988 7.1988 7.2002 7.2002 9.1466 9.1466 9.1917 9.1917 11.8934 11.8934 11.9193 11.9193 k = 0.2625 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3968 -34.3968 -34.3965 -34.3965 -34.1279 -34.1279 -34.1267 -34.1267 -34.0831 -34.0831 -34.0821 -34.0821 -1.3601 -1.3601 -1.3583 -1.3583 3.4129 3.4129 3.4249 3.4249 4.7800 4.7800 4.8299 4.8299 5.3026 5.3026 5.3051 5.3051 5.4788 5.4788 5.5449 5.5449 5.7572 5.7572 5.7828 5.7828 5.9249 5.9249 5.9694 5.9694 6.1447 6.1447 6.1660 6.1660 7.2157 7.2157 7.2168 7.2168 9.0169 9.0169 9.0601 9.0601 11.7564 11.7564 11.7810 11.7810 k = 0.2750 0.5000-0.0000 ( 5222 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3970 -34.3970 -34.3967 -34.3967 -34.1282 -34.1282 -34.1271 -34.1271 -34.0826 -34.0826 -34.0817 -34.0817 -1.3268 -1.3268 -1.3250 -1.3250 3.3885 3.3885 3.4000 3.4000 4.7587 4.7587 4.8064 4.8064 5.2927 5.2927 5.2937 5.2937 5.4827 5.4827 5.5485 5.5485 5.7581 5.7581 5.7834 5.7834 5.9235 5.9235 5.9666 5.9666 6.1619 6.1619 6.1841 6.1841 7.2361 7.2361 7.2366 7.2366 8.8885 8.8885 8.9298 8.9298 11.6205 11.6205 11.6439 11.6439 k = 0.2875 0.5000-0.0000 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3972 -34.3972 -34.3970 -34.3970 -34.1285 -34.1285 -34.1274 -34.1274 -34.0822 -34.0822 -34.0813 -34.0813 -1.2930 -1.2930 -1.2912 -1.2912 3.3585 3.3585 3.3693 3.3693 4.7441 4.7441 4.7891 4.7891 5.2829 5.2829 5.2833 5.2833 5.4871 5.4871 5.5516 5.5516 5.7596 5.7596 5.7839 5.7839 5.9226 5.9226 5.9642 5.9642 6.1800 6.1800 6.2029 6.2029 7.2595 7.2595 7.2596 7.2596 8.7619 8.7619 8.8013 8.8013 11.4865 11.4865 11.5088 11.5088 k = 0.3000 0.5000-0.0000 ( 5238 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3974 -34.3974 -34.3972 -34.3972 -34.1288 -34.1288 -34.1277 -34.1277 -34.0817 -34.0817 -34.0809 -34.0809 -1.2591 -1.2591 -1.2573 -1.2573 3.3233 3.3233 3.3332 3.3332 4.7363 4.7363 4.7784 4.7784 5.2726 5.2726 5.2744 5.2744 5.4920 5.4920 5.5546 5.5546 5.7617 5.7617 5.7842 5.7842 5.9219 5.9219 5.9620 5.9620 6.1988 6.1988 6.2222 6.2222 7.2850 7.2850 7.2859 7.2859 8.6378 8.6378 8.6752 8.6752 11.3550 11.3550 11.3763 11.3763 k = 0.3125 0.5000-0.0000 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3977 -34.3977 -34.3974 -34.3974 -34.1291 -34.1291 -34.1280 -34.1280 -34.0813 -34.0813 -34.0805 -34.0805 -1.2251 -1.2251 -1.2233 -1.2233 3.2837 3.2837 3.2925 3.2925 4.7351 4.7351 4.7742 4.7742 5.2627 5.2627 5.2657 5.2657 5.4972 5.4972 5.5574 5.5574 5.7642 5.7642 5.7844 5.7844 5.9216 5.9216 5.9603 5.9603 6.2182 6.2182 6.2418 6.2418 7.3126 7.3126 7.3146 7.3146 8.5167 8.5167 8.5520 8.5520 11.2265 11.2265 11.2468 11.2468 k = 0.3250 0.5000-0.0000 ( 5230 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3978 -34.3978 -34.3976 -34.3976 -34.1293 -34.1293 -34.1283 -34.1283 -34.0809 -34.0809 -34.0801 -34.0801 -1.1914 -1.1914 -1.1896 -1.1896 3.2404 3.2404 3.2481 3.2481 4.7401 4.7401 4.7759 4.7759 5.2531 5.2531 5.2573 5.2573 5.5028 5.5028 5.5601 5.5601 5.7671 5.7671 5.7846 5.7846 5.9216 5.9216 5.9587 5.9587 6.2382 6.2382 6.2618 6.2618 7.3419 7.3419 7.3450 7.3450 8.3993 8.3993 8.4323 8.4323 11.1016 11.1016 11.1210 11.1210 k = 0.3375 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3980 -34.3980 -34.3978 -34.3978 -34.1295 -34.1295 -34.1286 -34.1286 -34.0805 -34.0805 -34.0797 -34.0797 -1.1581 -1.1581 -1.1564 -1.1564 3.1944 3.1944 3.2010 3.2010 4.7505 4.7505 4.7830 4.7830 5.2437 5.2437 5.2489 5.2489 5.5087 5.5087 5.5629 5.5629 5.7700 5.7700 5.7847 5.7847 5.9217 5.9217 5.9574 5.9574 6.2588 6.2588 6.2821 6.2821 7.3722 7.3722 7.3766 7.3766 8.2861 8.2861 8.3167 8.3167 10.9807 10.9807 10.9992 10.9992 k = 0.3500 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3982 -34.3982 -34.3980 -34.3980 -34.1297 -34.1297 -34.1289 -34.1289 -34.0801 -34.0801 -34.0794 -34.0794 -1.1256 -1.1256 -1.1239 -1.1239 3.1469 3.1469 3.1525 3.1525 4.7655 4.7655 4.7947 4.7947 5.2344 5.2344 5.2405 5.2405 5.5149 5.5149 5.5656 5.5656 5.7730 5.7730 5.7848 5.7848 5.9221 5.9221 5.9562 5.9562 6.2801 6.2801 6.3028 6.3028 7.4024 7.4024 7.4085 7.4085 8.1783 8.1783 8.2060 8.2060 10.8645 10.8645 10.8820 10.8820 k = 0.3625 0.5000-0.0000 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3984 -34.3984 -34.3982 -34.3982 -34.1299 -34.1299 -34.1291 -34.1291 -34.0797 -34.0797 -34.0791 -34.0791 -1.0941 -1.0941 -1.0924 -1.0924 3.0989 3.0989 3.1035 3.1035 4.7842 4.7842 4.8102 4.8102 5.2253 5.2253 5.2321 5.2321 5.5214 5.5214 5.5685 5.5685 5.7760 5.7760 5.7849 5.7849 5.9227 5.9227 5.9551 5.9551 6.3021 6.3021 6.3239 6.3239 7.4312 7.4312 7.4392 7.4392 8.0772 8.0772 8.1016 8.1016 10.7533 10.7533 10.7698 10.7698 k = 0.3750 0.5000-0.0000 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3986 -34.3986 -34.3984 -34.3984 -34.1301 -34.1301 -34.1293 -34.1293 -34.0794 -34.0794 -34.0788 -34.0788 -1.0638 -1.0638 -1.0622 -1.0622 3.0514 3.0514 3.0551 3.0551 4.8058 4.8058 4.8285 4.8285 5.2161 5.2161 5.2235 5.2235 5.5282 5.5282 5.5714 5.5714 5.7789 5.7789 5.7851 5.7851 5.9234 5.9234 5.9541 5.9541 6.3247 6.3247 6.3454 6.3454 7.4563 7.4563 7.4669 7.4669 7.9850 7.9850 8.0053 8.0053 10.6479 10.6479 10.6634 10.6634 k = 0.3875 0.5000-0.0000 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3987 -34.3987 -34.3985 -34.3985 -34.1302 -34.1302 -34.1296 -34.1296 -34.0791 -34.0791 -34.0785 -34.0785 -1.0352 -1.0352 -1.0337 -1.0337 3.0054 3.0054 3.0084 3.0084 4.8294 4.8294 4.8489 4.8489 5.2069 5.2069 5.2147 5.2147 5.5351 5.5351 5.5744 5.5744 5.7816 5.7816 5.7853 5.7853 5.9243 5.9243 5.9530 5.9530 6.3481 6.3481 6.3674 6.3674 7.4742 7.4742 7.4881 7.4881 7.9051 7.9051 7.9205 7.9205 10.5489 10.5489 10.5632 10.5632 k = 0.4000 0.5000-0.0000 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3988 -34.3988 -34.3987 -34.3987 -34.1304 -34.1304 -34.1298 -34.1298 -34.0788 -34.0788 -34.0783 -34.0783 -1.0084 -1.0084 -1.0071 -1.0071 2.9617 2.9617 2.9641 2.9641 4.8542 4.8542 4.8706 4.8706 5.1976 5.1976 5.2056 5.2056 5.5421 5.5421 5.5774 5.5774 5.7840 5.7840 5.7856 5.7856 5.9253 5.9253 5.9518 5.9518 6.3721 6.3721 6.3897 6.3897 7.4793 7.4793 7.4973 7.4973 7.8431 7.8431 7.8526 7.8526 10.4570 10.4570 10.4701 10.4701 k = 0.4125 0.5000-0.0000 ( 5222 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3989 -34.3989 -34.3988 -34.3988 -34.1305 -34.1305 -34.1299 -34.1299 -34.0785 -34.0785 -34.0781 -34.0781 -0.9839 -0.9839 -0.9827 -0.9827 2.9212 2.9212 2.9231 2.9231 4.8794 4.8794 4.8929 4.8929 5.1883 5.1883 5.1963 5.1963 5.5492 5.5492 5.5803 5.5803 5.7859 5.7859 5.7862 5.7862 5.9265 5.9265 5.9506 5.9506 6.3966 6.3966 6.4123 6.4123 7.4663 7.4663 7.4877 7.4877 7.8043 7.8043 7.8082 7.8082 10.3729 10.3729 10.3847 10.3847 k = 0.4250 0.5000-0.0000 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3990 -34.3990 -34.3989 -34.3989 -34.1306 -34.1306 -34.1301 -34.1301 -34.0783 -34.0783 -34.0779 -34.0779 -0.9619 -0.9619 -0.9608 -0.9608 2.8847 2.8847 2.8861 2.8861 4.9042 4.9042 4.9149 4.9149 5.1788 5.1788 5.1867 5.1867 5.5561 5.5561 5.5829 5.5829 5.7863 5.7863 5.7879 5.7879 5.9278 5.9278 5.9493 5.9493 6.4213 6.4213 6.4349 6.4349 7.4349 7.4349 7.4573 7.4573 7.7889 7.7889 7.7894 7.7894 10.2976 10.2976 10.3080 10.3080 k = 0.4375 0.5000-0.0000 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3991 -34.3991 -34.3990 -34.3990 -34.1306 -34.1306 -34.1303 -34.1303 -34.0781 -34.0781 -34.0778 -34.0778 -0.9427 -0.9427 -0.9418 -0.9418 2.8526 2.8526 2.8537 2.8537 4.9280 4.9280 4.9361 4.9361 5.1695 5.1695 5.1769 5.1769 5.5628 5.5628 5.5852 5.5852 5.7869 5.7869 5.7893 5.7893 5.9293 5.9293 5.9478 5.9478 6.4456 6.4456 6.4570 6.4570 7.3924 7.3924 7.4131 7.4131 7.7893 7.7893 7.7901 7.7901 10.2318 10.2318 10.2407 10.2407 k = 0.4500 0.5000-0.0000 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3992 -34.3992 -34.3991 -34.3991 -34.1307 -34.1307 -34.1304 -34.1304 -34.0779 -34.0779 -34.0777 -34.0777 -0.9266 -0.9266 -0.9258 -0.9258 2.8257 2.8257 2.8264 2.8264 4.9499 4.9499 4.9556 4.9556 5.1604 5.1604 5.1671 5.1671 5.5689 5.5689 5.5870 5.5870 5.7875 5.7875 5.7902 5.7902 5.9309 5.9309 5.9462 5.9462 6.4687 6.4687 6.4777 6.4777 7.3475 7.3475 7.3651 7.3651 7.7985 7.7985 7.7993 7.7993 10.1765 10.1765 10.1838 10.1838 k = 0.4625 0.5000-0.0000 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3992 -34.3992 -34.1307 -34.1307 -34.1305 -34.1305 -34.0778 -34.0778 -34.0776 -34.0776 -0.9138 -0.9138 -0.9132 -0.9132 2.8042 2.8042 2.8047 2.8047 4.9690 4.9690 4.9727 4.9727 5.1521 5.1521 5.1577 5.1577 5.5745 5.5745 5.5881 5.5881 5.7882 5.7882 5.7907 5.7907 5.9327 5.9327 5.9444 5.9444 6.4893 6.4893 6.4960 6.4960 7.3070 7.3070 7.3207 7.3207 7.8102 7.8102 7.8108 7.8108 10.1326 10.1326 10.1382 10.1382 k = 0.4750 0.5000-0.0000 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3992 -34.3992 -34.1307 -34.1307 -34.1306 -34.1306 -34.0777 -34.0777 -34.0776 -34.0776 -0.9044 -0.9044 -0.9040 -0.9040 2.7887 2.7887 2.7890 2.7890 4.9842 4.9842 4.9863 4.9863 5.1452 5.1452 5.1493 5.1493 5.5793 5.5793 5.5883 5.5883 5.7889 5.7889 5.7909 5.7909 5.9346 5.9346 5.9425 5.9425 6.5061 6.5061 6.5105 6.5105 7.2755 7.2755 7.2849 7.2849 7.8206 7.8206 7.8210 7.8210 10.1009 10.1009 10.1047 10.1047 k = 0.4875 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8987 -0.8987 -0.8985 -0.8985 2.7792 2.7792 2.7794 2.7794 4.9943 4.9943 4.9952 4.9952 5.1409 5.1409 5.1431 5.1431 5.5831 5.5831 5.5876 5.5876 5.7896 5.7896 5.7907 5.7907 5.9366 5.9366 5.9406 5.9406 6.5175 6.5175 6.5196 6.5196 7.2562 7.2562 7.2610 7.2610 7.8277 7.8277 7.8278 7.8278 10.0820 10.0820 10.0839 10.0839 k = 0.5000 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8967 -0.8967 -0.8967 -0.8967 2.7761 2.7761 2.7761 2.7761 4.9981 4.9981 4.9981 4.9981 5.1401 5.1401 5.1401 5.1401 5.5859 5.5859 5.5859 5.5859 5.7903 5.7903 5.7903 5.7903 5.9386 5.9386 5.9386 5.9386 6.5221 6.5221 6.5221 6.5221 7.2511 7.2511 7.2511 7.2511 7.8302 7.8302 7.8302 7.8302 10.0763 10.0763 10.0763 10.0763 k = 0.5000 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8967 -0.8967 -0.8967 -0.8967 2.7761 2.7761 2.7761 2.7761 4.9981 4.9981 4.9981 4.9981 5.1401 5.1401 5.1401 5.1401 5.5859 5.5859 5.5859 5.5859 5.7903 5.7903 5.7903 5.7903 5.9386 5.9386 5.9386 5.9386 6.5221 6.5221 6.5221 6.5221 7.2511 7.2511 7.2511 7.2511 7.8302 7.8302 7.8302 7.8302 10.0763 10.0763 10.0763 10.0763 k = 0.4911 0.4911-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.9011 -0.9011 -0.8961 -0.8961 2.7774 2.7774 2.7814 2.7814 4.9909 4.9909 4.9985 4.9985 5.1402 5.1402 5.1438 5.1438 5.5830 5.5830 5.5876 5.5876 5.7896 5.7896 5.7907 5.7907 5.9365 5.9365 5.9406 5.9406 6.5135 6.5135 6.5235 6.5235 7.2514 7.2514 7.2660 7.2660 7.8232 7.8232 7.8323 7.8323 10.0777 10.0777 10.0885 10.0885 k = 0.4821 0.4821-0.0000 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3992 -34.3992 -34.1308 -34.1308 -34.1306 -34.1306 -34.0777 -34.0777 -34.0776 -34.0776 -0.9142 -0.9142 -0.8944 -0.8944 2.7811 2.7811 2.7970 2.7970 4.9709 4.9709 4.9997 4.9997 5.1417 5.1417 5.1524 5.1524 5.5791 5.5791 5.5884 5.5884 5.7888 5.7888 5.7910 5.7910 5.9345 5.9345 5.9426 5.9426 6.4903 6.4903 6.5272 6.5272 7.2535 7.2535 7.3068 7.3068 7.8028 7.8028 7.8388 7.8388 10.0822 10.0822 10.1241 10.1241 k = 0.4732 0.4732-0.0000 ( 5222 PWs) bands (ev): -67.4396 -67.4396 -67.4395 -67.4395 -34.3994 -34.3994 -34.3991 -34.3991 -34.1308 -34.1308 -34.1304 -34.1304 -34.0778 -34.0778 -34.0776 -34.0776 -0.9358 -0.9358 -0.8916 -0.8916 2.7874 2.7874 2.8228 2.8228 4.9410 4.9410 5.0018 5.0018 5.1442 5.1442 5.1637 5.1637 5.5739 5.5739 5.5882 5.5882 5.7879 5.7879 5.7909 5.7909 5.9326 5.9326 5.9446 5.9446 6.4572 6.4572 6.5332 6.5332 7.2569 7.2569 7.3678 7.3678 7.7709 7.7709 7.8507 7.8507 10.0898 10.0898 10.1818 10.1818 k = 0.4643 0.4643-0.0000 ( 5216 PWs) bands (ev): -67.4396 -67.4396 -67.4394 -67.4394 -34.3994 -34.3994 -34.3989 -34.3989 -34.1309 -34.1309 -34.1302 -34.1302 -34.0780 -34.0780 -34.0776 -34.0776 -0.9654 -0.9654 -0.8877 -0.8877 2.7962 2.7962 2.8581 2.8581 4.9033 4.9033 5.0046 5.0046 5.1476 5.1476 5.1759 5.1759 5.5676 5.5676 5.5871 5.5871 5.7867 5.7867 5.7907 5.7907 5.9307 5.9307 5.9466 5.9466 6.4192 6.4192 6.5409 6.5409 7.2617 7.2617 7.4415 7.4415 7.7303 7.7303 7.8700 7.8700 10.1003 10.1003 10.2593 10.2593 k = 0.4554 0.4554-0.0000 ( 5220 PWs) bands (ev): -67.4396 -67.4396 -67.4394 -67.4394 -34.3995 -34.3995 -34.3987 -34.3987 -34.1309 -34.1309 -34.1300 -34.1300 -34.0782 -34.0782 -34.0777 -34.0777 -1.0025 -1.0025 -0.8827 -0.8827 2.8074 2.8074 2.9026 2.9026 4.8590 4.8590 5.0083 5.0083 5.1519 5.1519 5.1884 5.1884 5.5599 5.5599 5.5853 5.5853 5.7852 5.7852 5.7901 5.7901 5.9290 5.9290 5.9486 5.9486 6.3798 6.3798 6.5497 6.5497 7.2680 7.2680 7.5202 7.5202 7.6841 7.6841 7.9002 7.9002 10.1139 10.1139 10.3542 10.3542 k = 0.4464 0.4464-0.0000 ( 5221 PWs) bands (ev): -67.4397 -67.4397 -67.4393 -67.4393 -34.3996 -34.3996 -34.3984 -34.3984 -34.1310 -34.1310 -34.1297 -34.1297 -34.0785 -34.0785 -34.0778 -34.0778 -1.0464 -1.0464 -0.8766 -0.8766 2.8211 2.8211 2.9554 2.9554 4.8093 4.8093 5.0127 5.0127 5.1569 5.1569 5.2008 5.2008 5.5508 5.5508 5.5830 5.5830 5.7834 5.7834 5.7893 5.7893 5.9275 5.9275 5.9506 5.9506 6.3415 6.3415 6.5587 6.5587 7.2755 7.2755 7.5950 7.5950 7.6358 7.6358 7.9469 7.9469 10.1304 10.1304 10.4640 10.4640 k = 0.4375 0.4375-0.0000 ( 5217 PWs) bands (ev): -67.4397 -67.4397 -67.4393 -67.4393 -34.3997 -34.3997 -34.3980 -34.3980 -34.1311 -34.1311 -34.1293 -34.1293 -34.0788 -34.0788 -34.0779 -34.0779 -1.0965 -1.0965 -0.8694 -0.8694 2.8373 2.8373 3.0158 3.0158 4.7549 4.7549 5.0179 5.0179 5.1625 5.1625 5.2132 5.2132 5.5403 5.5403 5.5802 5.5802 5.7811 5.7811 5.7884 5.7884 5.9261 5.9261 5.9527 5.9527 6.3056 6.3056 6.5667 6.5667 7.2845 7.2845 7.5890 7.5890 7.6581 7.6581 8.0155 8.0155 10.1498 10.1498 10.5865 10.5865 k = 0.4286 0.4286-0.0000 ( 5209 PWs) bands (ev): -67.4398 -67.4398 -67.4392 -67.4392 -34.3998 -34.3998 -34.3976 -34.3976 -34.1313 -34.1313 -34.1288 -34.1288 -34.0792 -34.0792 -34.0779 -34.0779 -1.1521 -1.1521 -0.8613 -0.8613 2.8559 2.8559 3.0830 3.0830 4.6968 4.6968 5.0239 5.0239 5.1685 5.1685 5.2255 5.2255 5.5281 5.5281 5.5770 5.5770 5.7784 5.7784 5.7875 5.7875 5.9248 5.9248 5.9549 5.9549 6.2725 6.2725 6.5721 6.5721 7.2950 7.2950 7.5474 7.5474 7.7066 7.7066 8.1076 8.1076 10.1722 10.1722 10.7197 10.7197 k = 0.4196 0.4196-0.0000 ( 5205 PWs) bands (ev): -67.4399 -67.4399 -67.4391 -67.4391 -34.4000 -34.4000 -34.3972 -34.3972 -34.1314 -34.1314 -34.1283 -34.1283 -34.0795 -34.0795 -34.0780 -34.0780 -1.2124 -1.2124 -0.8523 -0.8523 2.8769 2.8769 3.1562 3.1562 4.6357 4.6357 5.0305 5.0305 5.1746 5.1746 5.2379 5.2379 5.5143 5.5143 5.5736 5.5736 5.7751 5.7751 5.7866 5.7866 5.9237 5.9237 5.9572 5.9572 6.2426 6.2426 6.5734 6.5734 7.3068 7.3068 7.5144 7.5144 7.7433 7.7433 8.2189 8.2189 10.1975 10.1975 10.8621 10.8621 k = 0.4107 0.4107-0.0000 ( 5213 PWs) bands (ev): -67.4400 -67.4400 -67.4390 -67.4390 -34.4001 -34.4001 -34.3967 -34.3967 -34.1316 -34.1316 -34.1278 -34.1278 -34.0800 -34.0800 -34.0782 -34.0782 -1.2768 -1.2768 -0.8424 -0.8424 2.9003 2.9003 3.2345 3.2345 4.5724 4.5724 5.0378 5.0378 5.1803 5.1803 5.2504 5.2504 5.4989 5.4989 5.5701 5.5701 5.7715 5.7715 5.7857 5.7857 5.9227 5.9227 5.9597 5.9597 6.2156 6.2156 6.5691 6.5691 7.3201 7.3201 7.4929 7.4929 7.7726 7.7726 8.3441 8.3441 10.2257 10.2257 11.0121 11.0121 k = 0.4018 0.4018-0.0000 ( 5219 PWs) bands (ev): -67.4401 -67.4401 -67.4389 -67.4389 -34.4003 -34.4003 -34.3963 -34.3963 -34.1318 -34.1318 -34.1272 -34.1272 -34.0804 -34.0804 -34.0783 -34.0783 -1.3446 -1.3446 -0.8316 -0.8316 2.9262 2.9262 3.3174 3.3174 4.5079 4.5079 5.0458 5.0458 5.1850 5.1850 5.2629 5.2629 5.4823 5.4823 5.5664 5.5664 5.7677 5.7677 5.7850 5.7850 5.9216 5.9216 5.9623 5.9623 6.1915 6.1915 6.5581 6.5581 7.3348 7.3348 7.4854 7.4854 7.7979 7.7979 8.4789 8.4789 10.2567 10.2567 11.1687 11.1687 k = 0.3929 0.3929-0.0000 ( 5223 PWs) bands (ev): -67.4402 -67.4402 -67.4388 -67.4388 -34.4005 -34.4005 -34.3957 -34.3957 -34.1321 -34.1321 -34.1266 -34.1266 -34.0809 -34.0809 -34.0784 -34.0784 -1.4153 -1.4153 -0.8201 -0.8201 2.9543 2.9543 3.4039 3.4039 4.4428 4.4428 5.0544 5.0544 5.1877 5.1877 5.2755 5.2755 5.4651 5.4651 5.5626 5.5626 5.7636 5.7636 5.7846 5.7846 5.9206 5.9206 5.9650 5.9650 6.1698 6.1698 6.5405 6.5405 7.3511 7.3511 7.4930 7.4930 7.8215 7.8215 8.6203 8.6203 10.2905 10.2905 11.3307 11.3307 k = 0.3839 0.3839-0.0000 ( 5219 PWs) bands (ev): -67.4403 -67.4403 -67.4387 -67.4387 -34.4007 -34.4007 -34.3951 -34.3951 -34.1323 -34.1323 -34.1259 -34.1259 -34.0814 -34.0814 -34.0786 -34.0786 -1.4882 -1.4882 -0.8078 -0.8078 2.9848 2.9848 3.4933 3.4933 4.3778 4.3778 5.0634 5.0634 5.1870 5.1870 5.2882 5.2882 5.4486 5.4486 5.5587 5.5587 5.7595 5.7595 5.7843 5.7843 5.9196 5.9196 5.9679 5.9679 6.1504 6.1504 6.5168 6.5168 7.3689 7.3689 7.5160 7.5160 7.8445 7.8445 8.7665 8.7665 10.3271 10.3271 11.4973 11.4973 k = 0.3750 0.3750-0.0000 ( 5213 PWs) bands (ev): -67.4404 -67.4404 -67.4386 -67.4386 -34.4009 -34.4009 -34.3945 -34.3945 -34.1326 -34.1326 -34.1251 -34.1251 -34.0819 -34.0819 -34.0788 -34.0788 -1.5629 -1.5629 -0.7950 -0.7950 3.0176 3.0176 3.5852 3.5852 4.3137 4.3137 5.0729 5.0729 5.1812 5.1812 5.3008 5.3008 5.4344 5.4344 5.5548 5.5548 5.7555 5.7555 5.7845 5.7845 5.9186 5.9186 5.9708 5.9708 6.1330 6.1330 6.4886 6.4886 7.3883 7.3883 7.5536 7.5536 7.8677 7.8677 8.9158 8.9158 10.3664 10.3664 11.6677 11.6677 k = 0.3661 0.3661-0.0000 ( 5213 PWs) bands (ev): -67.4406 -67.4406 -67.4385 -67.4385 -34.4012 -34.4012 -34.3939 -34.3939 -34.1329 -34.1329 -34.1244 -34.1244 -34.0824 -34.0824 -34.0789 -34.0789 -1.6389 -1.6389 -0.7816 -0.7816 3.0526 3.0526 3.6787 3.6787 4.2508 4.2508 5.0822 5.0822 5.1684 5.1684 5.3135 5.3135 5.4244 5.4244 5.5508 5.5508 5.7515 5.7515 5.7851 5.7851 5.9174 5.9174 5.9737 5.9737 6.1173 6.1173 6.4575 6.4575 7.4091 7.4091 7.6047 7.6047 7.8915 7.8915 9.0670 9.0670 10.4084 10.4084 11.8408 11.8408 k = 0.3571 0.3571-0.0000 ( 5221 PWs) bands (ev): -67.4407 -67.4407 -67.4384 -67.4384 -34.4014 -34.4014 -34.3932 -34.3932 -34.1332 -34.1332 -34.1235 -34.1235 -34.0829 -34.0829 -34.0791 -34.0791 -1.7158 -1.7158 -0.7678 -0.7678 3.0898 3.0898 3.7732 3.7732 4.1899 4.1899 5.0903 5.0903 5.1488 5.1488 5.3263 5.3263 5.4199 5.4199 5.5468 5.5468 5.7477 5.7477 5.7862 5.7862 5.9163 5.9163 5.9766 5.9766 6.1031 6.1031 6.4254 6.4254 7.4314 7.4314 7.6679 7.6679 7.9163 7.9163 9.2187 9.2187 10.4530 10.4530 12.0159 12.0159 k = 0.3482 0.3482-0.0000 ( 5213 PWs) bands (ev): -67.4408 -67.4408 -67.4382 -67.4382 -34.4017 -34.4017 -34.3925 -34.3925 -34.1336 -34.1336 -34.1226 -34.1226 -34.0835 -34.0835 -34.0793 -34.0793 -1.7933 -1.7933 -0.7535 -0.7535 3.1292 3.1292 3.8682 3.8682 4.1314 4.1314 5.0893 5.0893 5.1295 5.1295 5.3393 5.3393 5.4211 5.4211 5.5429 5.5429 5.7442 5.7442 5.7880 5.7880 5.9150 5.9150 5.9794 5.9794 6.0903 6.0903 6.3936 6.3936 7.4551 7.4551 7.7419 7.7419 7.9421 7.9421 9.3697 9.3697 10.5002 10.5002 12.1920 12.1920 k = 0.3393 0.3393-0.0000 ( 5209 PWs) bands (ev): -67.4410 -67.4410 -67.4381 -67.4381 -34.4020 -34.4020 -34.3918 -34.3918 -34.1340 -34.1340 -34.1217 -34.1217 -34.0840 -34.0840 -34.0795 -34.0795 -1.8710 -1.8710 -0.7391 -0.7391 3.1707 3.1707 3.9623 3.9623 4.0763 4.0763 5.0623 5.0623 5.1287 5.1287 5.3525 5.3525 5.4272 5.4272 5.5389 5.5389 5.7409 5.7409 5.7905 5.7905 5.9136 5.9136 5.9820 5.9820 6.0788 6.0788 6.3631 6.3631 7.4804 7.4804 7.8257 7.8257 7.9691 7.9691 9.5184 9.5184 10.5499 10.5499 12.3679 12.3679 k = 0.3304 0.3304-0.0000 ( 5205 PWs) bands (ev): -67.4411 -67.4411 -67.4379 -67.4379 -34.4023 -34.4023 -34.3910 -34.3910 -34.1344 -34.1344 -34.1207 -34.1207 -34.0845 -34.0845 -34.0797 -34.0797 -1.9486 -1.9486 -0.7244 -0.7244 3.2142 3.2142 4.0166 4.0166 4.0635 4.0635 5.0193 5.0193 5.1379 5.1379 5.3661 5.3661 5.4370 5.4370 5.5350 5.5350 5.7379 5.7379 5.7937 5.7937 5.9122 5.9122 5.9844 5.9844 6.0684 6.0684 6.3349 6.3349 7.5072 7.5072 7.9180 7.9180 7.9975 7.9975 9.6627 9.6627 10.6020 10.6020 12.5420 12.5420 k = 0.3214 0.3214-0.0000 ( 5213 PWs) bands (ev): -67.4413 -67.4413 -67.4378 -67.4378 -34.4026 -34.4026 -34.3903 -34.3903 -34.1349 -34.1349 -34.1197 -34.1197 -34.0851 -34.0851 -34.0799 -34.0799 -2.0259 -2.0259 -0.7097 -0.7097 3.2597 3.2597 3.9707 3.9707 4.1529 4.1529 4.9691 4.9691 5.1495 5.1495 5.3797 5.3797 5.4495 5.4495 5.5311 5.5311 5.7354 5.7354 5.7979 5.7979 5.9106 5.9106 5.9864 5.9864 6.0594 6.0594 6.3093 6.3093 7.5355 7.5355 8.0157 8.0157 8.0298 8.0298 9.8005 9.8005 10.6565 10.6565 12.7124 12.7124 k = 0.3125 0.3125-0.0000 ( 5213 PWs) bands (ev): -67.4414 -67.4414 -67.4376 -67.4376 -34.4030 -34.4030 -34.3896 -34.3896 -34.1354 -34.1354 -34.1187 -34.1187 -34.0856 -34.0856 -34.0802 -34.0802 -2.1026 -2.1026 -0.6951 -0.6951 3.3071 3.3071 3.9253 3.9253 4.2433 4.2433 4.9150 4.9150 5.1621 5.1621 5.3934 5.3934 5.4639 5.4639 5.5273 5.5273 5.7334 5.7334 5.8029 5.8029 5.9090 5.9090 5.9878 5.9878 6.0516 6.0516 6.2869 6.2869 7.5653 7.5653 8.0565 8.0565 8.1275 8.1275 9.9288 9.9288 10.7132 10.7132 12.8763 12.8763 k = 0.3036 0.3036-0.0000 ( 5209 PWs) bands (ev): -67.4416 -67.4416 -67.4374 -67.4374 -34.4033 -34.4033 -34.3888 -34.3888 -34.1359 -34.1359 -34.1176 -34.1176 -34.0861 -34.0861 -34.0804 -34.0804 -2.1785 -2.1785 -0.6806 -0.6806 3.3564 3.3564 3.8835 3.8835 4.3306 4.3306 4.8591 4.8591 5.1752 5.1752 5.4069 5.4069 5.4796 5.4796 5.5236 5.5236 5.7321 5.7321 5.8090 5.8090 5.9072 5.9072 5.9886 5.9886 6.0452 6.0452 6.2678 6.2678 7.5966 7.5966 8.0882 8.0882 8.2419 8.2419 10.0441 10.0441 10.7721 10.7721 13.0270 13.0270 k = 0.2946 0.2946-0.0000 ( 5199 PWs) bands (ev): -67.4418 -67.4418 -67.4373 -67.4373 -34.4037 -34.4037 -34.3880 -34.3880 -34.1364 -34.1364 -34.1164 -34.1164 -34.0865 -34.0865 -34.0806 -34.0806 -2.2535 -2.2535 -0.6663 -0.6663 3.4074 3.4074 3.8459 3.8459 4.4122 4.4122 4.8042 4.8042 5.1888 5.1888 5.4200 5.4200 5.4960 5.4960 5.5202 5.5202 5.7316 5.7316 5.8161 5.8161 5.9054 5.9054 5.9884 5.9884 6.0405 6.0405 6.2524 6.2524 7.6293 7.6293 8.1206 8.1206 8.3625 8.3625 10.1422 10.1422 10.8331 10.8331 12.9971 12.9971 k = 0.2857 0.2857-0.0000 ( 5201 PWs) bands (ev): -67.4419 -67.4419 -67.4371 -67.4371 -34.4041 -34.4041 -34.3872 -34.3872 -34.1370 -34.1370 -34.1153 -34.1153 -34.0870 -34.0870 -34.0809 -34.0809 -2.3274 -2.3274 -0.6524 -0.6524 3.4600 3.4600 3.8128 3.8128 4.4823 4.4823 4.7562 4.7562 5.2026 5.2026 5.4324 5.4324 5.5116 5.5116 5.5181 5.5181 5.7322 5.7322 5.8243 5.8243 5.9034 5.9034 5.9872 5.9872 6.0375 6.0375 6.2411 6.2411 7.6635 7.6635 8.1535 8.1535 8.4889 8.4889 10.2190 10.2190 10.8960 10.8960 12.9244 12.9244 k = 0.2768 0.2768-0.0000 ( 5199 PWs) bands (ev): -67.4421 -67.4421 -67.4369 -67.4369 -34.4045 -34.4045 -34.3865 -34.3865 -34.1376 -34.1376 -34.1141 -34.1141 -34.0874 -34.0874 -34.0811 -34.0811 -2.3999 -2.3999 -0.6389 -0.6389 3.5141 3.5141 3.7844 3.7844 4.5250 4.5250 4.7313 4.7313 5.2166 5.2166 5.4440 5.4440 5.5128 5.5128 5.5304 5.5304 5.7341 5.7341 5.8336 5.8336 5.9014 5.9014 5.9850 5.9850 6.0361 6.0361 6.2343 6.2343 7.6991 7.6991 8.1864 8.1864 8.6203 8.6203 10.2704 10.2704 10.9607 10.9607 12.8826 12.8826 k = 0.2679 0.2679-0.0000 ( 5197 PWs) bands (ev): -67.4423 -67.4423 -67.4368 -67.4368 -34.4049 -34.4049 -34.3857 -34.3857 -34.1383 -34.1383 -34.1129 -34.1129 -34.0878 -34.0878 -34.0813 -34.0813 -2.4711 -2.4711 -0.6259 -0.6259 3.5693 3.5693 3.7612 3.7612 4.5186 4.5186 4.7512 4.7512 5.2308 5.2308 5.4544 5.4544 5.5103 5.5103 5.5459 5.5459 5.7374 5.7374 5.8437 5.8437 5.8992 5.8992 5.9822 5.9822 6.0361 6.0361 6.2329 6.2329 7.7360 7.7360 8.2187 8.2187 8.7561 8.7561 10.2942 10.2942 11.0270 11.0270 12.8751 12.8751 k = 0.2589 0.2589-0.0000 ( 5195 PWs) bands (ev): -67.4425 -67.4425 -67.4366 -67.4366 -34.4053 -34.4053 -34.3849 -34.3849 -34.1390 -34.1390 -34.1117 -34.1117 -34.0882 -34.0882 -34.0816 -34.0816 -2.5407 -2.5407 -0.6136 -0.6136 3.6251 3.6251 3.7438 3.7438 4.4766 4.4766 4.8024 4.8024 5.2451 5.2451 5.4634 5.4634 5.5084 5.5084 5.5600 5.5600 5.7424 5.7424 5.8543 5.8543 5.8969 5.8969 5.9790 5.9790 6.0371 6.0371 6.2378 6.2378 7.7743 7.7743 8.2499 8.2499 8.8959 8.8959 10.2904 10.2904 11.0949 11.0949 12.9027 12.9027 k = 0.2500 0.2500-0.0000 ( 5193 PWs) bands (ev): -67.4426 -67.4426 -67.4364 -67.4364 -34.4058 -34.4058 -34.3841 -34.3841 -34.1397 -34.1397 -34.1105 -34.1105 -34.0885 -34.0885 -34.0818 -34.0818 -2.6087 -2.6087 -0.6020 -0.6020 3.6777 3.6777 3.7359 3.7359 4.4213 4.4213 4.8625 4.8625 5.2594 5.2594 5.4703 5.4703 5.5075 5.5075 5.5722 5.5722 5.7488 5.7488 5.8648 5.8648 5.8945 5.8945 5.9757 5.9757 6.0389 6.0389 6.2504 6.2504 7.8139 7.8139 8.2788 8.2788 9.0388 9.0388 10.2616 10.2616 11.1641 11.1641 12.9635 12.9635 k = 0.2411 0.2411-0.0000 ( 5195 PWs) bands (ev): -67.4428 -67.4428 -67.4363 -67.4363 -34.4062 -34.4062 -34.3834 -34.3834 -34.1404 -34.1404 -34.1092 -34.1092 -34.0888 -34.0888 -34.0821 -34.0821 -2.6749 -2.6749 -0.5911 -0.5911 3.7049 3.7049 3.7598 3.7598 4.3618 4.3618 4.9227 4.9227 5.2737 5.2737 5.4748 5.4748 5.5083 5.5083 5.5823 5.5823 5.7565 5.7565 5.8743 5.8743 5.8922 5.8922 5.9726 5.9726 6.0413 6.0413 6.2720 6.2720 7.8546 7.8546 8.3041 8.3041 9.1841 9.1841 10.2130 10.2130 11.2345 11.2345 13.0537 13.0537 k = 0.2321 0.2321-0.0000 ( 5193 PWs) bands (ev): -67.4430 -67.4430 -67.4361 -67.4361 -34.4066 -34.4066 -34.3827 -34.3827 -34.1411 -34.1411 -34.1080 -34.1080 -34.0891 -34.0891 -34.0823 -34.0823 -2.7393 -2.7393 -0.5810 -0.5810 3.7079 3.7079 3.8140 3.8140 4.3010 4.3010 4.9800 4.9800 5.2879 5.2879 5.4765 5.4765 5.5108 5.5108 5.5902 5.5902 5.7651 5.7651 5.8808 5.8808 5.8912 5.8912 5.9696 5.9696 6.0439 6.0439 6.3038 6.3038 7.8964 7.8964 8.3242 8.3242 9.3308 9.3308 10.1507 10.1507 11.3057 11.3057 13.1682 13.1682 k = 0.2232 0.2232-0.0000 ( 5207 PWs) bands (ev): -67.4432 -67.4432 -67.4359 -67.4359 -34.4071 -34.4071 -34.3820 -34.3820 -34.1419 -34.1419 -34.1068 -34.1068 -34.0894 -34.0894 -34.0826 -34.0826 -2.8018 -2.8018 -0.5719 -0.5719 3.7115 3.7115 3.8739 3.8739 4.2404 4.2404 5.0333 5.0333 5.3020 5.3020 5.4762 5.4762 5.5145 5.5145 5.5963 5.5963 5.7741 5.7741 5.8814 5.8814 5.8941 5.8941 5.9665 5.9665 6.0468 6.0468 6.3464 6.3464 7.9391 7.9391 8.3369 8.3369 9.4780 9.4780 10.0817 10.0817 11.3774 11.3774 13.3014 13.3014 k = 0.2143 0.2143-0.0000 ( 5209 PWs) bands (ev): -67.4433 -67.4433 -67.4358 -67.4358 -34.4076 -34.4076 -34.3813 -34.3813 -34.1426 -34.1426 -34.1055 -34.1055 -34.0896 -34.0896 -34.0828 -34.0828 -2.8623 -2.8623 -0.5636 -0.5636 3.7194 3.7194 3.9353 3.9353 4.1810 4.1810 5.0823 5.0823 5.3160 5.3160 5.4746 5.4746 5.5186 5.5186 5.6010 5.6010 5.7831 5.7831 5.8787 5.8787 5.8984 5.8984 5.9634 5.9634 6.0497 6.0497 6.3997 6.3997 7.9827 7.9827 8.3398 8.3398 9.6243 9.6243 10.0128 10.0128 11.4493 11.4493 13.3224 13.3224 k = 0.2054 0.2054-0.0000 ( 5217 PWs) bands (ev): -67.4435 -67.4435 -67.4356 -67.4356 -34.4080 -34.4080 -34.3806 -34.3806 -34.1433 -34.1433 -34.1043 -34.1043 -34.0899 -34.0899 -34.0830 -34.0830 -2.9207 -2.9207 -0.5562 -0.5562 3.7323 3.7323 3.9964 3.9964 4.1240 4.1240 5.1269 5.1269 5.3297 5.3297 5.4722 5.4722 5.5226 5.5226 5.6048 5.6048 5.7918 5.7918 5.8749 5.8749 5.9019 5.9019 5.9601 5.9601 6.0527 6.0527 6.4630 6.4630 8.0268 8.0268 8.3303 8.3303 9.7672 9.7672 9.9509 9.9509 11.5207 11.5207 13.2738 13.2738 k = 0.1964 0.1964-0.0000 ( 5217 PWs) bands (ev): -67.4437 -67.4437 -67.4354 -67.4354 -34.4085 -34.4085 -34.3799 -34.3799 -34.1441 -34.1441 -34.1031 -34.1031 -34.0901 -34.0901 -34.0833 -34.0833 -2.9771 -2.9771 -0.5497 -0.5497 3.7504 3.7504 4.0418 4.0418 4.0850 4.0850 5.1673 5.1673 5.3432 5.3432 5.4694 5.4694 5.5261 5.5261 5.6079 5.6079 5.8000 5.8000 5.8709 5.8709 5.9047 5.9047 5.9564 5.9564 6.0558 6.0558 6.5355 6.5355 8.0709 8.0709 8.3062 8.3062 9.8774 9.8774 9.9291 9.9291 11.5911 11.5911 13.2269 13.2269 k = 0.1875 0.1875-0.0000 ( 5209 PWs) bands (ev): -67.4438 -67.4438 -67.4353 -67.4353 -34.4089 -34.4089 -34.3793 -34.3793 -34.1448 -34.1448 -34.1018 -34.1018 -34.0902 -34.0902 -34.0835 -34.0835 -3.0312 -3.0312 -0.5441 -0.5441 3.7735 3.7735 4.0040 4.0040 4.1315 4.1315 5.2038 5.2038 5.3564 5.3564 5.4664 5.4664 5.5292 5.5292 5.6106 5.6106 5.8074 5.8074 5.8667 5.8667 5.9068 5.9068 5.9524 5.9524 6.0590 6.0590 6.6159 6.6159 8.1133 8.1133 8.2671 8.2671 9.8545 9.8545 10.0496 10.0496 11.6597 11.6597 13.1844 13.1844 k = 0.1786 0.1786-0.0000 ( 5205 PWs) bands (ev): -67.4440 -67.4440 -67.4351 -67.4351 -34.4094 -34.4094 -34.3787 -34.3787 -34.1455 -34.1455 -34.1006 -34.1006 -34.0904 -34.0904 -34.0837 -34.0837 -3.0831 -3.0831 -0.5394 -0.5394 3.8015 3.8015 3.9530 3.9530 4.1937 4.1937 5.2367 5.2367 5.3692 5.3692 5.4632 5.4632 5.5318 5.5318 5.6132 5.6132 5.8136 5.8136 5.8629 5.8629 5.9086 5.9086 5.9482 5.9482 6.0623 6.0623 6.7034 6.7034 8.1427 8.1427 8.2236 8.2236 9.8357 9.8357 10.1751 10.1751 11.7253 11.7253 13.1488 13.1488 k = 0.1696 0.1696-0.0000 ( 5205 PWs) bands (ev): -67.4442 -67.4442 -67.4349 -67.4349 -34.4099 -34.4099 -34.3781 -34.3781 -34.1463 -34.1463 -34.0995 -34.0995 -34.0905 -34.0905 -34.0840 -34.0840 -3.1327 -3.1327 -0.5356 -0.5356 3.8321 3.8321 3.9055 3.9055 4.2570 4.2570 5.2661 5.2661 5.3816 5.3816 5.4601 5.4601 5.5339 5.5339 5.6158 5.6158 5.8182 5.8182 5.8598 5.8598 5.9102 5.9102 5.9437 5.9437 6.0656 6.0656 6.7968 6.7968 8.1051 8.1051 8.2303 8.2303 9.8337 9.8337 10.2904 10.2904 11.7865 11.7865 13.1229 13.1229 k = 0.1607 0.1607-0.0000 ( 5229 PWs) bands (ev): -67.4443 -67.4443 -67.4348 -67.4348 -34.4103 -34.4103 -34.3775 -34.3775 -34.1470 -34.1470 -34.0984 -34.0984 -34.0906 -34.0906 -34.0842 -34.0842 -3.1800 -3.1800 -0.5326 -0.5326 3.8386 3.8386 3.8892 3.8892 4.3202 4.3202 5.2923 5.2923 5.3935 5.3935 5.4571 5.4571 5.5357 5.5357 5.6186 5.6186 5.8204 5.8204 5.8582 5.8582 5.9117 5.9117 5.9391 5.9391 6.0691 6.0691 6.8953 6.8953 8.0190 8.0190 8.2703 8.2703 9.8483 9.8483 10.3917 10.3917 11.8413 11.8413 13.1095 13.1095 k = 0.1518 0.1518-0.0000 ( 5233 PWs) bands (ev): -67.4445 -67.4445 -67.4347 -67.4347 -34.4108 -34.4108 -34.3770 -34.3770 -34.1477 -34.1477 -34.0973 -34.0973 -34.0907 -34.0907 -34.0844 -34.0844 -3.2249 -3.2249 -0.5303 -0.5303 3.7990 3.7990 3.9261 3.9261 4.3830 4.3830 5.3154 5.3154 5.4047 5.4047 5.4545 5.4545 5.5374 5.5374 5.6216 5.6216 5.8199 5.8199 5.8585 5.8585 5.9131 5.9131 5.9347 5.9347 6.0727 6.0727 6.9983 6.9983 7.9156 7.9156 8.3150 8.3150 9.8774 9.8774 10.4758 10.4758 11.8873 11.8873 13.1114 13.1114 k = 0.1429 0.1429-0.0000 ( 5235 PWs) bands (ev): -67.4446 -67.4446 -67.4345 -67.4345 -34.4112 -34.4112 -34.3765 -34.3765 -34.1484 -34.1484 -34.0962 -34.0962 -34.0908 -34.0908 -34.0846 -34.0846 -3.2675 -3.2675 -0.5287 -0.5287 3.7558 3.7558 3.9740 3.9740 4.4449 4.4449 5.3354 5.3354 5.4146 5.4146 5.4532 5.4532 5.5389 5.5389 5.6249 5.6249 5.8168 5.8168 5.8604 5.8604 5.9141 5.9141 5.9307 5.9307 6.0764 6.0764 7.1050 7.1050 7.8013 7.8013 8.3606 8.3606 9.9190 9.9190 10.5397 10.5397 11.9215 11.9215 13.1265 13.1265 k = 0.1339 0.1339-0.0000 ( 5233 PWs) bands (ev): -67.4447 -67.4447 -67.4344 -67.4344 -34.4116 -34.4116 -34.3760 -34.3760 -34.1490 -34.1490 -34.0952 -34.0952 -34.0908 -34.0908 -34.0848 -34.0848 -3.3076 -3.3076 -0.5277 -0.5277 3.7140 3.7140 4.0276 4.0276 4.5057 4.5057 5.3524 5.3524 5.4216 5.4216 5.4545 5.4545 5.5405 5.5405 5.6285 5.6285 5.8121 5.8121 5.8630 5.8630 5.9142 5.9142 5.9280 5.9280 6.0802 6.0802 7.2144 7.2144 7.6800 7.6800 8.4061 8.4061 9.9708 9.9708 10.5812 10.5812 11.9407 11.9407 13.0764 13.0764 k = 0.1250 0.1250-0.0000 ( 5239 PWs) bands (ev): -67.4449 -67.4449 -67.4343 -67.4343 -34.4120 -34.4120 -34.3756 -34.3756 -34.1496 -34.1496 -34.0942 -34.0942 -34.0909 -34.0909 -34.0850 -34.0850 -3.3452 -3.3452 -0.5273 -0.5273 3.6744 3.6744 4.0861 4.0861 4.5651 4.5651 5.3663 5.3663 5.4243 5.4243 5.4601 5.4601 5.5423 5.5423 5.6326 5.6326 5.8062 5.8062 5.8656 5.8656 5.9123 5.9123 5.9275 5.9275 6.0841 6.0841 7.3237 7.3237 7.5563 7.5563 8.4510 8.4510 10.0308 10.0308 10.5993 10.5993 11.9424 11.9424 13.0283 13.0283 k = 0.1161 0.1161-0.0000 ( 5231 PWs) bands (ev): -67.4450 -67.4450 -67.4341 -67.4341 -34.4124 -34.4124 -34.3751 -34.3751 -34.1502 -34.1502 -34.0933 -34.0933 -34.0909 -34.0909 -34.0851 -34.0851 -3.3804 -3.3804 -0.5273 -0.5273 3.6373 3.6373 4.1492 4.1492 4.6229 4.6229 5.3774 5.3774 5.4233 5.4233 5.4691 5.4691 5.5444 5.5444 5.6370 5.6370 5.7996 5.7996 5.8679 5.8679 5.9090 5.9090 5.9290 5.9290 6.0881 6.0881 7.3852 7.3852 7.4797 7.4797 8.4950 8.4950 10.0970 10.0970 10.5942 10.5942 11.9260 11.9260 13.0029 13.0029 k = 0.1071 0.1071-0.0000 ( 5235 PWs) bands (ev): -67.4451 -67.4451 -67.4340 -67.4340 -34.4128 -34.4128 -34.3747 -34.3747 -34.1508 -34.1508 -34.0924 -34.0924 -34.0909 -34.0909 -34.0853 -34.0853 -3.4131 -3.4131 -0.5277 -0.5277 3.6027 3.6027 4.2165 4.2165 4.6786 4.6786 5.3855 5.3855 5.4205 5.4205 5.4797 5.4797 5.5471 5.5471 5.6419 5.6419 5.7924 5.7924 5.8694 5.8694 5.9051 5.9051 5.9315 5.9315 6.0922 6.0922 7.2762 7.2762 7.5741 7.5741 8.5378 8.5378 10.1678 10.1678 10.5677 10.5677 11.8933 11.8933 12.9989 12.9989 k = 0.0982 0.0982-0.0000 ( 5231 PWs) bands (ev): -67.4452 -67.4452 -67.4339 -67.4339 -34.4131 -34.4131 -34.3744 -34.3744 -34.1513 -34.1513 -34.0917 -34.0917 -34.0908 -34.0908 -34.0854 -34.0854 -3.4432 -3.4432 -0.5284 -0.5284 3.5706 3.5706 4.2877 4.2877 4.7321 4.7321 5.3909 5.3909 5.4168 5.4168 5.4905 5.4905 5.5507 5.5507 5.6472 5.6472 5.7847 5.7847 5.8700 5.8700 5.9013 5.9013 5.9346 5.9346 6.0962 6.0962 7.1459 7.1459 7.6914 7.6914 8.5789 8.5789 10.2412 10.2412 10.5224 10.5224 11.8480 11.8480 13.0121 13.0121 k = 0.0893 0.0893-0.0000 ( 5231 PWs) bands (ev): -67.4453 -67.4453 -67.4338 -67.4338 -34.4134 -34.4134 -34.3740 -34.3740 -34.1517 -34.1517 -34.0912 -34.0912 -34.0905 -34.0905 -34.0856 -34.0856 -3.4707 -3.4707 -0.5294 -0.5294 3.5413 3.5413 4.3625 4.3625 4.7829 4.7829 5.3933 5.3933 5.4132 5.4132 5.5005 5.5005 5.5553 5.5553 5.6528 5.6528 5.7767 5.7767 5.8695 5.8695 5.8978 5.8978 5.9381 5.9381 6.1003 6.1003 7.0147 7.0147 7.8119 7.8119 8.6183 8.6183 10.3135 10.3135 10.4637 10.4637 11.7947 11.7947 13.0380 13.0380 k = 0.0804 0.0804-0.0000 ( 5235 PWs) bands (ev): -67.4454 -67.4454 -67.4337 -67.4337 -34.4137 -34.4137 -34.3737 -34.3737 -34.1522 -34.1522 -34.0911 -34.0911 -34.0900 -34.0900 -34.0857 -34.0857 -3.4957 -3.4957 -0.5305 -0.5305 3.5146 3.5146 4.4403 4.4403 4.8310 4.8310 5.3927 5.3927 5.4100 5.4100 5.5092 5.5092 5.5611 5.5611 5.6586 5.6586 5.7684 5.7684 5.8680 5.8680 5.8945 5.8945 5.9419 5.9419 6.1043 6.1043 6.8853 6.8853 7.9337 7.9337 8.6555 8.6555 10.3502 10.3502 10.4274 10.4274 11.7377 11.7377 13.0719 13.0719 k = 0.0714 0.0714-0.0000 ( 5235 PWs) bands (ev): -67.4455 -67.4455 -67.4337 -67.4337 -34.4140 -34.4140 -34.3735 -34.3735 -34.1526 -34.1526 -34.0911 -34.0911 -34.0894 -34.0894 -34.0858 -34.0858 -3.5181 -3.5181 -0.5316 -0.5316 3.4907 3.4907 4.5207 4.5207 4.8759 4.8759 5.3894 5.3894 5.4069 5.4069 5.5163 5.5163 5.5683 5.5683 5.6648 5.6648 5.7597 5.7597 5.8655 5.8655 5.8914 5.8914 5.9460 5.9460 6.1080 6.1080 6.7592 6.7592 8.0560 8.0560 8.6903 8.6903 10.2819 10.2819 10.4846 10.4846 11.6802 11.6802 13.1100 13.1100 k = 0.0625 0.0625-0.0000 ( 5235 PWs) bands (ev): -67.4456 -67.4456 -67.4336 -67.4336 -34.4142 -34.4142 -34.3732 -34.3732 -34.1529 -34.1529 -34.0911 -34.0911 -34.0888 -34.0888 -34.0859 -34.0859 -3.5379 -3.5379 -0.5329 -0.5329 3.4695 3.4695 4.6029 4.6029 4.9174 4.9174 5.3844 5.3844 5.4032 5.4032 5.5221 5.5221 5.5764 5.5764 5.6710 5.6710 5.7508 5.7508 5.8624 5.8624 5.8880 5.8880 5.9504 5.9504 6.1115 6.1115 6.6382 6.6382 8.1776 8.1776 8.7227 8.7227 10.1888 10.1888 10.5561 10.5561 11.6251 11.6251 13.1491 13.1491 k = 0.0536 0.0536-0.0000 ( 5241 PWs) bands (ev): -67.4456 -67.4456 -67.4335 -67.4335 -34.4144 -34.4144 -34.3730 -34.3730 -34.1532 -34.1532 -34.0911 -34.0911 -34.0884 -34.0884 -34.0860 -34.0860 -3.5551 -3.5551 -0.5340 -0.5340 3.4511 3.4511 4.6858 4.6858 4.9553 4.9553 5.3783 5.3783 5.3979 5.3979 5.5268 5.5268 5.5849 5.5849 5.6773 5.6773 5.7417 5.7417 5.8591 5.8591 5.8839 5.8839 5.9551 5.9551 6.1144 6.1144 6.5241 6.5241 8.2971 8.2971 8.7526 8.7526 10.0883 10.0883 10.6257 10.6257 11.5742 11.5742 13.1860 13.1860 k = 0.0446 0.0446-0.0000 ( 5247 PWs) bands (ev): -67.4457 -67.4457 -67.4335 -67.4335 -34.4146 -34.4146 -34.3728 -34.3728 -34.1535 -34.1535 -34.0911 -34.0911 -34.0880 -34.0880 -34.0860 -34.0860 -3.5697 -3.5697 -0.5351 -0.5351 3.4355 3.4355 4.7680 4.7680 4.9896 4.9896 5.3717 5.3717 5.3902 5.3902 5.5308 5.5308 5.5931 5.5931 5.6835 5.6835 5.7326 5.7326 5.8557 5.8557 5.8785 5.8785 5.9602 5.9602 6.1164 6.1164 6.4193 6.4193 8.4124 8.4124 8.7804 8.7804 9.9846 9.9846 10.6902 10.6902 11.5291 11.5291 13.2170 13.2170 k = 0.0357 0.0357-0.0000 ( 5249 PWs) bands (ev): -67.4457 -67.4457 -67.4334 -67.4334 -34.4148 -34.4148 -34.3727 -34.3727 -34.1537 -34.1537 -34.0911 -34.0911 -34.0877 -34.0877 -34.0861 -34.0861 -3.5816 -3.5816 -0.5361 -0.5361 3.4228 3.4228 4.8469 4.8469 5.0204 5.0204 5.3646 5.3646 5.3798 5.3798 5.5344 5.5344 5.6004 5.6004 5.6894 5.6894 5.7239 5.7239 5.8526 5.8526 5.8717 5.8717 5.9659 5.9659 6.1170 6.1170 6.3273 6.3273 8.5197 8.5197 8.8073 8.8073 9.8816 9.8816 10.7471 10.7471 11.4909 11.4909 13.2345 13.2345 k = 0.0268 0.0268-0.0000 ( 5247 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4149 -34.4149 -34.3726 -34.3726 -34.1539 -34.1539 -34.0911 -34.0911 -34.0874 -34.0874 -34.0861 -34.0861 -3.5909 -3.5909 -0.5369 -0.5369 3.4128 3.4128 4.9184 4.9184 5.0487 5.0487 5.3552 5.3552 5.3682 5.3682 5.5378 5.5378 5.6060 5.6060 5.6943 5.6943 5.7166 5.7166 5.8500 5.8500 5.8633 5.8633 5.9722 5.9722 6.1148 6.1148 6.2525 6.2525 8.6127 8.6127 8.8354 8.8354 9.7841 9.7841 10.7944 10.7944 11.4604 11.4604 13.2319 13.2319 k = 0.0179 0.0179-0.0000 ( 5253 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3725 -34.3725 -34.1540 -34.1540 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.5975 -3.5975 -0.5374 -0.5374 3.4057 3.4057 4.9750 4.9750 5.0768 5.0768 5.3396 5.3396 5.3602 5.3602 5.5408 5.5408 5.6097 5.6097 5.6966 5.6966 5.7127 5.7127 5.8480 5.8480 5.8544 5.8544 5.9789 5.9789 6.1073 6.1073 6.2007 6.2007 8.6819 8.6819 8.8672 8.8672 9.6996 9.6996 10.8299 10.8299 11.4382 11.4382 13.2216 13.2216 k = 0.0089 0.0089-0.0000 ( 5261 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1541 -34.1541 -34.0911 -34.0911 -34.0872 -34.0872 -34.0860 -34.0860 -3.6015 -3.6015 -0.5378 -0.5378 3.4014 3.4014 5.0086 5.0086 5.1041 5.1041 5.3217 5.3217 5.3562 5.3562 5.5431 5.5431 5.6115 5.6115 5.6958 5.6958 5.7127 5.7127 5.8467 5.8467 5.8471 5.8471 5.9849 5.9849 6.0951 6.0951 6.1748 6.1748 8.7212 8.7212 8.8981 8.8981 9.6393 9.6393 10.8520 10.8520 11.4247 11.4247 13.2134 13.2134 k = 0.0000 0.0000 0.0000 ( 5265 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3725 -34.3725 -34.1542 -34.1542 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.6028 -3.6028 -0.5379 -0.5379 3.4000 3.4000 5.0190 5.0190 5.1171 5.1171 5.3131 5.3131 5.3550 5.3550 5.5439 5.5439 5.6119 5.6119 5.6950 5.6950 5.7133 5.7133 5.8441 5.8441 5.8463 5.8463 5.9876 5.9876 6.0885 6.0885 6.1680 6.1680 8.7332 8.7332 8.9117 8.9117 9.6169 9.6169 10.8595 10.8595 11.4202 11.4202 13.2104 13.2104 k = 0.0000 0.0000 0.0000 ( 5265 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3725 -34.3725 -34.1542 -34.1542 -34.0911 -34.0911 -34.0872 -34.0872 -34.0861 -34.0861 -3.6028 -3.6028 -0.5379 -0.5379 3.4000 3.4000 5.0190 5.0190 5.1171 5.1171 5.3131 5.3131 5.3550 5.3550 5.5439 5.5439 5.6119 5.6119 5.6950 5.6950 5.7133 5.7133 5.8441 5.8441 5.8463 5.8463 5.9876 5.9876 6.0885 6.0885 6.1680 6.1680 8.7332 8.7332 8.9117 8.9117 9.6169 9.6169 10.8595 10.8595 11.4202 11.4202 13.2104 13.2104 k = 0.0000 0.0000 0.0127 ( 5265 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0911 -34.0911 -34.0871 -34.0871 -34.0860 -34.0860 -3.6023 -3.6023 -0.5397 -0.5397 3.4020 3.4020 5.0182 5.0182 5.1163 5.1163 5.3147 5.3147 5.3552 5.3552 5.5423 5.5423 5.6111 5.6111 5.6958 5.6958 5.7086 5.7086 5.8463 5.8463 5.8506 5.8506 5.9873 5.9873 6.0904 6.0904 6.1699 6.1699 8.7306 8.7306 8.9090 8.9090 9.6116 9.6116 10.8695 10.8695 11.4206 11.4206 13.1888 13.1888 k = 0.0000 0.0000 0.0255 ( 5257 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0911 -34.0911 -34.0871 -34.0871 -34.0860 -34.0860 -3.6009 -3.6009 -0.5452 -0.5452 3.4081 3.4081 5.0161 5.0161 5.1142 5.1142 5.3194 5.3194 5.3560 5.3560 5.5373 5.5373 5.6086 5.6086 5.6973 5.6973 5.6979 5.6979 5.8461 5.8461 5.8678 5.8678 5.9867 5.9867 6.0960 6.0960 6.1757 6.1757 8.7230 8.7230 8.9010 8.9010 9.5964 9.5964 10.8987 10.8987 11.4218 11.4218 13.1200 13.1200 k = 0.0000 0.0000 0.0382 ( 5257 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0911 -34.0911 -34.0871 -34.0871 -34.0860 -34.0860 -3.5986 -3.5986 -0.5542 -0.5542 3.4181 3.4181 5.0125 5.0125 5.1106 5.1106 5.3264 5.3264 5.3572 5.3572 5.5281 5.5281 5.6049 5.6049 5.6846 5.6846 5.7012 5.7012 5.8459 5.8459 5.8918 5.8918 5.9858 5.9858 6.1054 6.1054 6.1853 6.1853 8.7103 8.7103 8.8878 8.8878 9.5727 9.5727 10.9455 10.9455 11.4239 11.4239 13.0080 13.0080 k = 0.0000 0.0000 0.0509 ( 5257 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0911 -34.0911 -34.0871 -34.0871 -34.0861 -34.0861 -3.5955 -3.5955 -0.5665 -0.5665 3.4319 3.4319 5.0077 5.0077 5.1057 5.1057 5.3347 5.3347 5.3589 5.3589 5.5144 5.5144 5.6003 5.6003 5.6742 5.6742 5.7052 5.7052 5.8455 5.8455 5.9204 5.9204 5.9846 5.9846 6.1184 6.1184 6.1983 6.1983 8.6929 8.6929 8.8696 8.8696 9.5423 9.5423 11.0078 11.0078 11.4268 11.4268 12.8637 12.8637 k = 0.0000 0.0000 0.0636 ( 5257 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0911 -34.0911 -34.0871 -34.0871 -34.0861 -34.0861 -3.5914 -3.5914 -0.5819 -0.5819 3.4494 3.4494 5.0018 5.0018 5.0998 5.0998 5.3421 5.3421 5.3609 5.3609 5.4967 5.4967 5.5951 5.5951 5.6682 5.6682 5.7095 5.7095 5.8451 5.8451 5.9528 5.9528 5.9833 5.9833 6.1352 6.1352 6.2146 6.2146 8.6710 8.6710 8.8467 8.8467 9.5073 9.5073 11.0832 11.0832 11.4304 11.4304 12.6972 12.6972 k = 0.0000 0.0000 0.0764 ( 5245 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5866 -3.5866 -0.6002 -0.6002 3.4704 3.4704 4.9949 4.9949 5.0928 5.0928 5.3451 5.3451 5.3633 5.3633 5.4780 5.4780 5.5897 5.5897 5.6672 5.6672 5.7138 5.7138 5.8445 5.8445 5.9819 5.9819 5.9888 5.9888 6.1557 6.1557 6.2340 6.2340 8.6449 8.6449 8.8194 8.8194 9.4693 9.4693 11.1690 11.1690 11.4348 11.4348 12.5163 12.5163 k = 0.0000 0.0000 0.0891 ( 5237 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1542 -34.1542 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5811 -3.5811 -0.6209 -0.6209 3.4946 3.4946 4.9871 4.9871 5.0851 5.0851 5.3386 5.3386 5.3659 5.3659 5.4635 5.4635 5.5843 5.5843 5.6706 5.6706 5.7181 5.7181 5.8439 5.8439 5.9805 5.9805 6.0285 6.0285 6.1803 6.1803 6.2560 6.2560 8.6150 8.6150 8.7882 8.7882 9.4298 9.4298 11.2624 11.2624 11.4398 11.4398 12.3272 12.3272 k = 0.0000 0.0000 0.1018 ( 5217 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5748 -3.5748 -0.6438 -0.6438 3.5220 3.5220 4.9787 4.9787 5.0768 5.0768 5.3186 5.3186 5.3688 5.3688 5.4573 5.4573 5.5789 5.5789 5.6776 5.6776 5.7222 5.7222 5.8432 5.8432 5.9791 5.9791 6.0718 6.0718 6.2096 6.2096 6.2806 6.2806 8.5817 8.5817 8.7536 8.7536 9.3899 9.3899 11.3593 11.3593 11.4455 11.4455 12.1364 12.1364 k = 0.0000 0.0000 0.1145 ( 5225 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5680 -3.5680 -0.6684 -0.6684 3.5522 3.5522 4.9698 4.9698 5.0680 5.0680 5.2865 5.2865 5.3718 5.3718 5.4581 5.4581 5.5737 5.5737 5.6872 5.6872 5.7260 5.7260 5.8424 5.8424 5.9777 5.9777 6.1179 6.1179 6.2446 6.2446 6.3072 6.3072 8.5455 8.5455 8.7160 8.7160 9.3503 9.3503 11.4492 11.4492 11.4518 11.4518 11.9559 11.9559 k = 0.0000 0.0000 0.1273 ( 5237 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5607 -3.5607 -0.6942 -0.6942 3.5850 3.5850 4.9605 4.9605 5.0590 5.0590 5.2463 5.2463 5.3750 5.3750 5.4622 5.4622 5.5687 5.5687 5.6985 5.6985 5.7294 5.7294 5.8415 5.8415 5.9765 5.9765 6.1650 6.1650 6.2877 6.2877 6.3357 6.3357 8.5069 8.5069 8.6759 8.6759 9.3116 9.3116 11.4585 11.4585 11.4914 11.4914 11.8273 11.8273 k = 0.0000 0.0000 0.1400 ( 5233 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5531 -3.5531 -0.7210 -0.7210 3.6202 3.6202 4.9510 4.9510 5.0499 5.0499 5.2011 5.2011 5.3782 5.3782 5.4672 5.4672 5.5640 5.5640 5.7107 5.7107 5.7326 5.7326 5.8406 5.8406 5.9753 5.9753 6.2107 6.2107 6.3414 6.3414 6.3657 6.3657 8.4663 8.4663 8.6340 8.6340 9.2739 9.2739 11.4035 11.4035 11.4657 11.4657 11.8337 11.8337 k = 0.0000 0.0000 0.1527 ( 5237 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4151 -34.4151 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5451 -3.5451 -0.7482 -0.7482 3.6575 3.6575 4.9413 4.9413 5.0408 5.0408 5.1526 5.1526 5.3815 5.3815 5.4721 5.4721 5.5596 5.5596 5.7229 5.7229 5.7354 5.7354 5.8396 5.8396 5.9741 5.9741 6.2532 6.2532 6.3969 6.3969 6.4070 6.4070 8.4244 8.4244 8.5906 8.5906 9.2374 9.2374 11.2343 11.2343 11.4732 11.4732 11.9267 11.9267 k = 0.0000 0.0000 0.1654 ( 5233 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5370 -3.5370 -0.7754 -0.7754 3.6969 3.6969 4.9313 4.9313 5.0319 5.0319 5.1020 5.1020 5.3848 5.3848 5.4763 5.4763 5.5554 5.5554 5.7347 5.7347 5.7379 5.7379 5.8386 5.8386 5.9731 5.9731 6.2926 6.2926 6.4288 6.4288 6.4840 6.4840 8.3817 8.3817 8.5466 8.5466 9.2021 9.2021 11.0463 11.0463 11.4809 11.4809 12.0442 12.0442 k = 0.0000 0.0000 0.1782 ( 5233 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5288 -3.5288 -0.8023 -0.8023 3.7379 3.7379 4.9207 4.9207 5.0234 5.0234 5.0505 5.0505 5.3881 5.3881 5.4798 5.4798 5.5515 5.5515 5.7401 5.7401 5.7456 5.7456 5.8376 5.8376 5.9721 5.9721 6.3297 6.3297 6.4610 6.4610 6.5707 6.5707 8.3387 8.3387 8.5023 8.5023 9.1676 9.1676 10.8559 10.8559 11.4887 11.4887 12.1701 12.1701 k = 0.0000 0.0000 0.1909 ( 5225 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5207 -3.5207 -0.8283 -0.8283 3.7805 3.7805 4.9084 4.9084 4.9999 4.9999 5.0152 5.0152 5.3913 5.3913 5.4827 5.4827 5.5479 5.5479 5.7421 5.7421 5.7555 5.7555 5.8366 5.8366 5.9712 5.9712 6.3650 6.3650 6.4932 6.4932 6.6654 6.6654 8.2961 8.2961 8.4585 8.4585 9.1336 9.1336 10.6683 10.6683 11.4965 11.4965 12.2992 12.2992 k = 0.0000 0.0000 0.2036 ( 5205 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5129 -3.5129 -0.8532 -0.8532 3.8243 3.8243 4.8900 4.8900 4.9552 4.9552 5.0076 5.0076 5.3943 5.3943 5.4850 5.4850 5.5446 5.5446 5.7438 5.7438 5.7642 5.7642 5.8356 5.8356 5.9704 5.9704 6.3987 6.3987 6.5250 6.5250 6.7665 6.7665 8.2545 8.2545 8.4158 8.4158 9.0995 9.0995 10.4867 10.4867 11.5041 11.5041 12.4288 12.4288 k = 0.0000 0.0000 0.2164 ( 5213 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.5054 -3.5054 -0.8765 -0.8765 3.8691 3.8691 4.8567 4.8567 4.9258 4.9258 5.0006 5.0006 5.3973 5.3973 5.4868 5.4868 5.5416 5.5416 5.7452 5.7452 5.7719 5.7719 5.8347 5.8347 5.9697 5.9697 6.4308 6.4308 6.5556 6.5556 6.8724 6.8724 8.2146 8.2146 8.3748 8.3748 9.0644 9.0644 10.3137 10.3137 11.5114 11.5114 12.5566 12.5566 k = 0.0000 0.0000 0.2291 ( 5213 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.4985 -3.4985 -0.8980 -0.8980 3.9145 3.9145 4.8099 4.8099 4.9107 4.9107 4.9942 4.9942 5.4000 5.4000 5.4883 5.4883 5.5389 5.5389 5.7465 5.7465 5.7785 5.7785 5.8338 5.8338 5.9690 5.9690 6.4608 6.4608 6.5847 6.5847 6.9814 6.9814 8.1769 8.1769 8.3363 8.3363 9.0273 9.0273 10.1521 10.1521 11.5184 11.5184 12.6805 12.6805 k = 0.0000 0.0000 0.2418 ( 5209 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0910 -34.0910 -34.0871 -34.0871 -34.0860 -34.0860 -3.4921 -3.4921 -0.9172 -0.9172 3.9599 3.9599 4.7590 4.7590 4.9015 4.9015 4.9885 4.9885 5.4025 5.4025 5.4894 5.4894 5.5365 5.5365 5.7476 5.7476 5.7840 5.7840 5.8331 5.8331 5.9685 5.9685 6.4885 6.4885 6.6117 6.6117 7.0913 7.0913 8.1422 8.1422 8.3009 8.3009 8.9870 8.9870 10.0050 10.0050 11.5247 11.5247 12.7980 12.7980 k = 0.0000 0.0000 0.2545 ( 5197 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4865 -3.4865 -0.9340 -0.9340 4.0047 4.0047 4.7081 4.7081 4.8949 4.8949 4.9837 4.9837 5.4047 5.4047 5.4903 5.4903 5.5344 5.5344 5.7484 5.7484 5.7886 5.7886 5.8324 5.8324 5.9680 5.9680 6.5132 6.5132 6.6359 6.6359 7.1995 7.1995 8.1113 8.1113 8.2694 8.2694 8.9428 8.9428 9.8758 9.8758 11.5303 11.5303 12.9063 12.9063 k = 0.0000 0.0000 0.2673 ( 5201 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4817 -3.4817 -0.9481 -0.9481 4.0477 4.0477 4.6595 4.6595 4.8899 4.8899 4.9796 4.9796 5.4066 5.4066 5.4910 5.4910 5.5326 5.5326 5.7491 5.7491 5.7923 5.7923 5.8318 5.8318 5.9676 5.9676 6.5344 6.5344 6.6568 6.6568 7.3023 7.3023 8.0847 8.0847 8.2424 8.2424 8.8949 8.8949 9.7679 9.7679 11.5351 11.5351 13.0022 13.0022 k = 0.0000 0.0000 0.2800 ( 5201 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4779 -3.4779 -0.9593 -0.9593 4.0872 4.0872 4.6154 4.6154 4.8861 4.8861 4.9765 4.9765 5.4081 5.4081 5.4915 5.4915 5.5312 5.5312 5.7497 5.7497 5.7951 5.7951 5.8313 5.8313 5.9673 5.9673 6.5516 6.5516 6.6738 6.6738 7.3946 7.3946 8.0631 8.0631 8.2206 8.2206 8.8457 8.8457 9.6837 9.6837 11.5390 11.5390 13.0821 13.0821 k = 0.0000 0.0000 0.2927 ( 5202 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4752 -3.4752 -0.9673 -0.9673 4.1203 4.1203 4.5788 4.5788 4.8835 4.8835 4.9742 4.9742 5.4092 5.4092 5.4919 5.4919 5.5302 5.5302 5.7501 5.7501 5.7970 5.7970 5.8310 5.8310 5.9671 5.9671 6.5643 6.5643 6.6863 6.6863 7.4697 7.4697 8.0472 8.0472 8.2045 8.2045 8.8008 8.8008 9.6243 9.6243 11.5418 11.5418 13.1425 13.1425 k = 0.0000 0.0000 0.3054 ( 5198 PWs) bands (ev): -67.4458 -67.4458 -67.4333 -67.4333 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4735 -3.4735 -0.9723 -0.9723 4.1432 4.1432 4.5538 4.5538 4.8820 4.8820 4.9728 4.9728 5.4099 5.4099 5.4921 5.4921 5.5296 5.5296 5.7503 5.7503 5.7982 5.7982 5.8308 5.8308 5.9669 5.9669 6.5721 6.5721 6.6940 6.6940 7.5197 7.5197 8.0374 8.0374 8.1947 8.1947 8.7685 8.7685 9.5891 9.5891 11.5436 11.5436 13.1443 13.1443 k = 0.0000 0.0000 0.3182 ( 5214 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4729 -3.4729 -0.9739 -0.9739 4.1515 4.1515 4.5448 4.5448 4.8814 4.8814 4.9723 4.9723 5.4101 5.4101 5.4921 5.4921 5.5294 5.5294 5.7504 5.7504 5.7986 5.7986 5.8307 5.8307 5.9669 5.9669 6.5747 6.5747 6.6966 6.6966 7.5374 7.5374 8.0340 8.0340 8.1914 8.1914 8.7566 8.7566 9.5776 9.5776 11.5442 11.5442 13.1424 13.1424 k = 0.0000 0.0000 0.3182 ( 5214 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4729 -3.4729 -0.9739 -0.9739 4.1515 4.1515 4.5448 4.5448 4.8814 4.8814 4.9723 4.9723 5.4101 5.4101 5.4921 5.4921 5.5294 5.5294 5.7504 5.7504 5.7986 5.7986 5.8307 5.8307 5.9669 5.9669 6.5747 6.5747 6.6966 6.6966 7.5374 7.5374 8.0340 8.0340 8.1914 8.1914 8.7566 8.7566 9.5776 9.5776 11.5442 11.5442 13.1424 13.1424 k = 0.0000 0.0125 0.3182 ( 5208 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4716 -3.4716 -0.9733 -0.9733 4.1405 4.1405 4.5450 4.5450 4.8857 4.8857 4.9761 4.9761 5.4101 5.4101 5.4923 5.4923 5.5298 5.5298 5.7505 5.7505 5.7987 5.7987 5.8311 5.8311 5.9663 5.9663 6.5743 6.5743 6.6960 6.6960 7.5367 7.5367 8.0265 8.0265 8.1835 8.1835 8.7607 8.7607 9.5938 9.5938 11.5491 11.5491 13.1437 13.1437 k = 0.0000 0.0250 0.3182 ( 5214 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4149 -34.4149 -34.3725 -34.3725 -34.1540 -34.1540 -34.0909 -34.0909 -34.0872 -34.0872 -34.0860 -34.0860 -3.4678 -3.4678 -0.9716 -0.9716 4.1088 4.1088 4.5458 4.5458 4.8961 4.8961 4.9885 4.9885 5.4099 5.4099 5.4928 5.4928 5.5312 5.5312 5.7511 5.7511 5.7992 5.7992 5.8322 5.8322 5.9644 5.9644 6.5730 6.5730 6.6943 6.6943 7.5342 7.5342 7.9999 7.9999 8.1668 8.1668 8.7728 8.7728 9.6401 9.6401 11.5641 11.5641 13.1448 13.1448 k = 0.0000 0.0375 0.3182 ( 5202 PWs) bands (ev): -67.4457 -67.4457 -67.4334 -67.4334 -34.4148 -34.4148 -34.3725 -34.3725 -34.1539 -34.1539 -34.0909 -34.0909 -34.0873 -34.0873 -34.0860 -34.0860 -3.4614 -3.4614 -0.9688 -0.9688 4.0599 4.0599 4.5471 4.5471 4.9080 4.9080 5.0110 5.0110 5.4095 5.4095 5.4937 5.4937 5.5335 5.5335 5.7519 5.7519 5.8000 5.8000 5.8341 5.8341 5.9612 5.9612 6.5708 6.5708 6.6918 6.6918 7.5285 7.5285 7.9484 7.9484 8.1541 8.1541 8.7927 8.7927 9.7104 9.7104 11.5889 11.5889 13.1325 13.1325 k = 0.0000 0.0500 0.3182 ( 5194 PWs) bands (ev): -67.4457 -67.4457 -67.4334 -67.4334 -34.4147 -34.4147 -34.3726 -34.3726 -34.1537 -34.1537 -34.0909 -34.0909 -34.0875 -34.0875 -34.0861 -34.0861 -3.4524 -3.4524 -0.9650 -0.9650 3.9973 3.9973 4.5488 4.5488 4.9181 4.9181 5.0430 5.0430 5.4089 5.4089 5.4950 5.4950 5.5366 5.5366 5.7531 5.7531 5.8012 5.8012 5.8367 5.8367 5.9569 5.9569 6.5675 6.5675 6.6890 6.6890 7.5164 7.5164 7.8768 7.8768 8.1507 8.1507 8.8200 8.8200 9.7980 9.7980 11.6236 11.6236 13.1001 13.1001 k = 0.0000 0.0625 0.3182 ( 5206 PWs) bands (ev): -67.4457 -67.4457 -67.4335 -67.4335 -34.4145 -34.4145 -34.3728 -34.3728 -34.1535 -34.1535 -34.0909 -34.0909 -34.0878 -34.0878 -34.0861 -34.0861 -3.4408 -3.4408 -0.9601 -0.9601 3.9245 3.9245 4.5508 4.5508 4.9263 4.9263 5.0814 5.0814 5.4081 5.4081 5.4967 5.4967 5.5407 5.5407 5.7547 5.7547 5.8029 5.8029 5.8400 5.8400 5.9515 5.9515 6.5631 6.5631 6.6863 6.6863 7.4911 7.4911 7.8000 7.8000 8.1545 8.1545 8.8542 8.8542 9.8967 9.8967 11.6681 11.6681 13.0553 13.0553 k = 0.0000 0.0750 0.3182 ( 5204 PWs) bands (ev): -67.4456 -67.4456 -67.4335 -67.4335 -34.4144 -34.4144 -34.3730 -34.3730 -34.1532 -34.1532 -34.0909 -34.0909 -34.0881 -34.0881 -34.0862 -34.0862 -3.4267 -3.4267 -0.9543 -0.9543 3.8442 3.8442 4.5531 4.5531 4.9335 4.9335 5.1226 5.1226 5.4068 5.4068 5.4989 5.4989 5.5457 5.5457 5.7566 5.7566 5.8051 5.8051 5.8441 5.8441 5.9450 5.9450 6.5575 6.5575 6.6844 6.6844 7.4413 7.4413 7.7363 7.7363 8.1632 8.1632 8.8946 8.8946 10.0017 10.0017 11.7222 11.7222 13.0010 13.0010 k = 0.0000 0.0875 0.3182 ( 5204 PWs) bands (ev): -67.4456 -67.4456 -67.4336 -67.4336 -34.4141 -34.4141 -34.3732 -34.3732 -34.1529 -34.1529 -34.0909 -34.0909 -34.0884 -34.0884 -34.0862 -34.0862 -3.4101 -3.4101 -0.9476 -0.9476 3.7583 3.7583 4.5554 4.5554 4.9403 4.9403 5.1642 5.1642 5.4052 5.4052 5.5016 5.5016 5.5516 5.5516 5.7587 5.7587 5.8080 5.8080 5.8488 5.8488 5.9376 5.9376 6.5509 6.5509 6.6835 6.6835 7.3602 7.3602 7.6977 7.6977 8.1751 8.1751 8.9407 8.9407 10.1096 10.1096 11.7858 11.7858 12.9383 12.9383 k = 0.0000 0.1000 0.3182 ( 5200 PWs) bands (ev): -67.4455 -67.4455 -67.4336 -67.4336 -34.4139 -34.4139 -34.3734 -34.3734 -34.1525 -34.1525 -34.0909 -34.0909 -34.0888 -34.0888 -34.0863 -34.0863 -3.3909 -3.3909 -0.9402 -0.9402 3.6682 3.6682 4.5577 4.5577 4.9472 4.9472 5.2040 5.2040 5.4029 5.4029 5.5049 5.5049 5.5583 5.5583 5.7612 5.7612 5.8117 5.8117 5.8542 5.8542 5.9293 5.9293 6.5437 6.5437 6.6841 6.6841 7.2547 7.2547 7.6804 7.6804 8.1895 8.1895 8.9917 8.9917 10.2178 10.2178 11.8586 11.8586 12.8682 12.8682 k = 0.0000 0.1125 0.3182 ( 5204 PWs) bands (ev): -67.4454 -67.4454 -67.4337 -67.4337 -34.4136 -34.4136 -34.3737 -34.3737 -34.1522 -34.1522 -34.0910 -34.0910 -34.0892 -34.0892 -34.0864 -34.0864 -3.3693 -3.3693 -0.9321 -0.9321 3.5753 3.5753 4.5597 4.5597 4.9543 4.9543 5.2409 5.2409 5.4000 5.4000 5.5089 5.5089 5.5657 5.5657 5.7640 5.7640 5.8164 5.8164 5.8602 5.8602 5.9204 5.9204 6.5363 6.5363 6.6862 6.6862 7.1362 7.1362 7.6757 7.6757 8.2057 8.2057 9.0470 9.0470 10.3246 10.3246 11.9404 11.9404 12.7916 12.7916 k = 0.0000 0.1250 0.3182 ( 5202 PWs) bands (ev): -67.4453 -67.4453 -67.4338 -67.4338 -34.4133 -34.4133 -34.3740 -34.3740 -34.1517 -34.1517 -34.0910 -34.0910 -34.0897 -34.0897 -34.0864 -34.0864 -3.3451 -3.3451 -0.9236 -0.9236 3.4805 3.4805 4.5611 4.5611 4.9617 4.9617 5.2736 5.2736 5.3961 5.3961 5.5136 5.5136 5.5735 5.5735 5.7669 5.7669 5.8223 5.8223 5.8668 5.8668 5.9110 5.9110 6.5294 6.5294 6.6900 6.6900 7.0123 7.0123 7.6782 7.6782 8.2234 8.2234 9.1060 9.1060 10.4286 10.4286 12.0307 12.0307 12.7094 12.7094 k = 0.0000 0.1375 0.3182 ( 5210 PWs) bands (ev): -67.4452 -67.4452 -67.4339 -67.4339 -34.4130 -34.4130 -34.3743 -34.3743 -34.1512 -34.1512 -34.0912 -34.0912 -34.0902 -34.0902 -34.0865 -34.0865 -3.3185 -3.3185 -0.9148 -0.9148 3.3846 3.3846 4.5615 4.5615 4.9694 4.9694 5.3016 5.3016 5.3912 5.3912 5.5191 5.5191 5.5815 5.5815 5.7701 5.7701 5.8293 5.8293 5.8738 5.8738 5.9013 5.9013 6.5237 6.5237 6.6953 6.6953 6.8875 6.8875 7.6851 7.6851 8.2420 8.2420 9.1682 9.1682 10.5290 10.5290 12.1288 12.1288 12.6225 12.6225 k = 0.0000 0.1500 0.3182 ( 5202 PWs) bands (ev): -67.4451 -67.4451 -67.4340 -67.4340 -34.4126 -34.4126 -34.3746 -34.3746 -34.1507 -34.1507 -34.0914 -34.0914 -34.0905 -34.0905 -34.0866 -34.0866 -3.2894 -3.2894 -0.9058 -0.9058 3.2884 3.2884 4.5606 4.5606 4.9776 4.9776 5.3242 5.3242 5.3853 5.3853 5.5253 5.5253 5.5890 5.5890 5.7734 5.7734 5.8374 5.8374 5.8800 5.8800 5.8927 5.8927 6.5197 6.5197 6.7021 6.7021 6.7652 6.7652 7.6950 7.6950 8.2612 8.2612 9.2331 9.2331 10.6253 10.6253 12.2334 12.2334 12.5326 12.5326 k = 0.0000 0.1625 0.3182 ( 5206 PWs) bands (ev): -67.4450 -67.4450 -67.4341 -67.4341 -34.4122 -34.4122 -34.3750 -34.3750 -34.1501 -34.1501 -34.0919 -34.0919 -34.0907 -34.0907 -34.0867 -34.0867 -3.2578 -3.2578 -0.8970 -0.8970 3.1926 3.1926 4.5577 4.5577 4.9860 4.9860 5.3404 5.3404 5.3792 5.3792 5.5321 5.5321 5.5955 5.5955 5.7769 5.7769 5.8465 5.8465 5.8775 5.8775 5.8932 5.8932 6.5174 6.5174 6.6478 6.6478 6.7109 6.7109 7.7073 7.7073 8.2806 8.2806 9.3004 9.3004 10.7169 10.7169 12.3357 12.3357 12.4483 12.4483 k = 0.0000 0.1750 0.3182 ( 5206 PWs) bands (ev): -67.4449 -67.4449 -67.4343 -67.4343 -34.4118 -34.4118 -34.3754 -34.3754 -34.1495 -34.1495 -34.0926 -34.0926 -34.0908 -34.0908 -34.0868 -34.0868 -3.2239 -3.2239 -0.8886 -0.8886 3.0979 3.0979 4.5521 4.5521 4.9947 4.9947 5.3466 5.3466 5.3765 5.3765 5.5393 5.5393 5.6004 5.6004 5.7805 5.7805 5.8561 5.8561 5.8682 5.8682 5.9008 5.9008 6.5070 6.5070 6.5494 6.5494 6.7210 6.7210 7.7215 7.7215 8.2997 8.2997 9.3697 9.3697 10.8037 10.8037 12.3218 12.3218 12.4780 12.4780 k = 0.0000 0.1875 0.3182 ( 5206 PWs) bands (ev): -67.4447 -67.4447 -67.4344 -67.4344 -34.4113 -34.4113 -34.3759 -34.3759 -34.1488 -34.1488 -34.0933 -34.0933 -34.0908 -34.0908 -34.0869 -34.0869 -3.1875 -3.1875 -0.8808 -0.8808 3.0049 3.0049 4.5429 4.5429 5.0036 5.0036 5.3400 5.3400 5.3804 5.3804 5.5467 5.5467 5.6031 5.6031 5.7842 5.7842 5.8585 5.8585 5.8659 5.8659 5.9092 5.9092 6.4252 6.4252 6.5352 6.5352 6.7328 6.7328 7.7373 7.7373 8.3181 8.3181 9.4408 9.4408 10.8852 10.8852 12.2273 12.2273 12.3894 12.3894 k = 0.0000 0.2000 0.3182 ( 5204 PWs) bands (ev): -67.4446 -67.4446 -67.4345 -67.4345 -34.4109 -34.4109 -34.3763 -34.3763 -34.1481 -34.1481 -34.0940 -34.0940 -34.0908 -34.0908 -34.0870 -34.0870 -3.1488 -3.1488 -0.8739 -0.8739 2.9144 2.9144 4.5290 4.5290 5.0127 5.0127 5.3258 5.3258 5.3861 5.3861 5.5540 5.5540 5.6033 5.6033 5.7880 5.7880 5.8492 5.8492 5.8751 5.8751 5.9173 5.9173 6.3345 6.3345 6.5455 6.5455 6.7463 6.7463 7.7546 7.7546 8.3354 8.3354 9.5134 9.5134 10.9608 10.9608 12.1266 12.1266 12.2681 12.2681 k = 0.0000 0.2125 0.3182 ( 5202 PWs) bands (ev): -67.4444 -67.4444 -67.4347 -67.4347 -34.4103 -34.4103 -34.3768 -34.3768 -34.1474 -34.1474 -34.0949 -34.0949 -34.0908 -34.0908 -34.0872 -34.0872 -3.1078 -3.1078 -0.8684 -0.8684 2.8268 2.8268 4.5092 4.5092 5.0220 5.0220 5.3074 5.3074 5.3907 5.3907 5.5608 5.5608 5.6011 5.6011 5.7916 5.7916 5.8408 5.8408 5.8836 5.8836 5.9243 5.9243 6.2546 6.2546 6.5627 6.5627 6.7616 6.7616 7.7732 7.7732 8.3510 8.3510 9.5875 9.5875 11.0297 11.0297 12.0241 12.0241 12.1478 12.1478 k = 0.0000 0.2250 0.3182 ( 5202 PWs) bands (ev): -67.4443 -67.4443 -67.4348 -67.4348 -34.4098 -34.4098 -34.3773 -34.3773 -34.1466 -34.1466 -34.0957 -34.0957 -34.0908 -34.0908 -34.0873 -34.0873 -3.0646 -3.0646 -0.8644 -0.8644 2.7428 2.7428 4.4819 4.4819 5.0312 5.0312 5.2864 5.2864 5.3938 5.3938 5.5662 5.5662 5.5974 5.5974 5.7950 5.7950 5.8338 5.8338 5.8908 5.8908 5.9298 5.9298 6.1877 6.1877 6.5859 6.5859 6.7788 6.7788 7.7929 7.7929 8.3644 8.3644 9.6628 9.6628 11.0899 11.0899 11.9217 11.9217 12.0313 12.0313 k = 0.0000 0.2375 0.3182 ( 5202 PWs) bands (ev): -67.4441 -67.4441 -67.4350 -67.4350 -34.4092 -34.4092 -34.3779 -34.3779 -34.1458 -34.1458 -34.0967 -34.0967 -34.0908 -34.0908 -34.0874 -34.0874 -3.0190 -3.0190 -0.8625 -0.8625 2.6632 2.6632 4.4460 4.4460 5.0405 5.0405 5.2642 5.2642 5.3955 5.3955 5.5679 5.5679 5.5947 5.5947 5.7978 5.7978 5.8288 5.8288 5.8963 5.8963 5.9335 5.9335 6.1343 6.1343 6.6150 6.6150 6.7980 6.7980 7.8137 7.8137 8.3752 8.3752 9.7394 9.7394 11.1378 11.1378 11.8205 11.8205 11.9228 11.9228 k = 0.0000 0.2500 0.3182 ( 5202 PWs) bands (ev): -67.4440 -67.4440 -67.4352 -67.4352 -34.4087 -34.4087 -34.3785 -34.3785 -34.1449 -34.1449 -34.0976 -34.0976 -34.0908 -34.0908 -34.0875 -34.0875 -2.9713 -2.9713 -0.8630 -0.8630 2.5884 2.5884 4.4002 4.4002 5.0496 5.0496 5.2426 5.2426 5.3959 5.3959 5.5634 5.5634 5.5960 5.5960 5.7998 5.7998 5.8261 5.8261 5.8993 5.8993 5.9360 5.9360 6.0937 6.0937 6.6498 6.6498 6.8193 6.8193 7.8353 7.8353 8.3829 8.3829 9.8170 9.8170 11.1670 11.1670 11.7211 11.7211 11.8299 11.8299 k = 0.0000 0.2625 0.3182 ( 5202 PWs) bands (ev): -67.4438 -67.4438 -67.4353 -67.4353 -34.4080 -34.4080 -34.3791 -34.3791 -34.1440 -34.1440 -34.0986 -34.0986 -34.0908 -34.0908 -34.0877 -34.0877 -2.9214 -2.9214 -0.8664 -0.8664 2.5191 2.5191 4.3440 4.3440 5.0586 5.0586 5.2231 5.2231 5.3952 5.3952 5.5540 5.5540 5.6007 5.6007 5.8008 5.8008 5.8259 5.8259 5.8990 5.8990 5.9382 5.9382 6.0643 6.0643 6.6898 6.6898 6.8429 6.8429 7.8577 7.8577 8.3869 8.3869 9.8957 9.8957 11.1686 11.1686 11.6217 11.6217 11.7648 11.7648 k = 0.0000 0.2750 0.3182 ( 5216 PWs) bands (ev): -67.4436 -67.4436 -67.4355 -67.4355 -34.4074 -34.4074 -34.3797 -34.3797 -34.1431 -34.1431 -34.0997 -34.0997 -34.0908 -34.0908 -34.0878 -34.0878 -2.8695 -2.8695 -0.8729 -0.8729 2.4559 2.4559 4.2776 4.2776 5.0674 5.0674 5.2071 5.2071 5.3936 5.3936 5.5422 5.5422 5.6067 5.6067 5.8012 5.8012 5.8275 5.8275 5.8954 5.8954 5.9410 5.9410 6.0437 6.0437 6.7344 6.7344 6.8688 6.8688 7.8807 7.8807 8.3869 8.3869 9.9751 9.9751 11.1359 11.1359 11.5210 11.5210 11.7366 11.7366 k = 0.0000 0.2875 0.3182 ( 5218 PWs) bands (ev): -67.4434 -67.4434 -67.4357 -67.4357 -34.4068 -34.4068 -34.3803 -34.3803 -34.1421 -34.1421 -34.1008 -34.1008 -34.0908 -34.0908 -34.0880 -34.0880 -2.8155 -2.8155 -0.8831 -0.8831 2.3993 2.3993 4.2019 4.2019 5.0760 5.0760 5.1955 5.1955 5.3910 5.3910 5.5293 5.5293 5.6132 5.6132 5.8017 5.8017 5.8303 5.8303 5.8894 5.8894 5.9444 5.9444 6.0294 6.0294 6.7831 6.7831 6.8973 6.8973 7.9039 7.9039 8.3825 8.3825 10.0551 10.0551 11.0723 11.0723 11.4203 11.4203 11.7423 11.7423 k = 0.0000 0.3000 0.3182 ( 5222 PWs) bands (ev): -67.4432 -67.4432 -67.4359 -67.4359 -34.4061 -34.4061 -34.3810 -34.3810 -34.1411 -34.1411 -34.1019 -34.1019 -34.0908 -34.0908 -34.0881 -34.0881 -2.7595 -2.7595 -0.8972 -0.8972 2.3498 2.3498 4.1183 4.1183 5.0844 5.0844 5.1883 5.1883 5.3877 5.3877 5.5159 5.5159 5.6199 5.6199 5.8025 5.8025 5.8336 5.8336 5.8823 5.8823 5.9481 5.9481 6.0195 6.0195 6.8350 6.8350 6.9289 6.9289 7.9272 7.9272 8.3734 8.3734 10.1353 10.1353 10.9880 10.9880 11.3212 11.3212 11.7694 11.7694 k = 0.0000 0.3125 0.3182 ( 5218 PWs) bands (ev): -67.4430 -67.4430 -67.4361 -67.4361 -34.4054 -34.4054 -34.3817 -34.3817 -34.1401 -34.1401 -34.1030 -34.1030 -34.0908 -34.0908 -34.0882 -34.0882 -2.7017 -2.7017 -0.9156 -0.9156 2.3080 2.3080 4.0281 4.0281 5.0929 5.0929 5.1851 5.1851 5.3836 5.3836 5.5024 5.5024 5.6267 5.6267 5.8039 5.8039 5.8371 5.8371 5.8749 5.8749 5.9517 5.9517 6.0125 6.0125 6.8889 6.8889 6.9642 6.9642 7.9502 7.9502 8.3594 8.3594 10.2150 10.2150 10.8929 10.8929 11.2254 11.2254 11.7803 11.7803 k = 0.0000 0.3250 0.3182 ( 5222 PWs) bands (ev): -67.4428 -67.4428 -67.4363 -67.4363 -34.4047 -34.4047 -34.3824 -34.3824 -34.1390 -34.1390 -34.1041 -34.1041 -34.0908 -34.0908 -34.0883 -34.0883 -2.6420 -2.6420 -0.9385 -0.9385 2.2741 2.2741 3.9332 3.9332 5.1015 5.1015 5.1854 5.1854 5.3788 5.3788 5.4887 5.4887 5.6335 5.6335 5.8056 5.8056 5.8404 5.8404 5.8677 5.8677 5.9550 5.9550 6.0074 6.0074 6.9432 6.9432 7.0045 7.0045 7.9725 7.9725 8.3404 8.3404 10.2930 10.2930 10.7933 10.7933 11.1346 11.1346 11.7655 11.7655 k = 0.0000 0.3375 0.3182 ( 5224 PWs) bands (ev): -67.4426 -67.4426 -67.4365 -67.4365 -34.4040 -34.4040 -34.3831 -34.3831 -34.1379 -34.1379 -34.1053 -34.1053 -34.0907 -34.0907 -34.0885 -34.0885 -2.5806 -2.5806 -0.9661 -0.9661 2.2484 2.2484 3.8348 3.8348 5.1104 5.1104 5.1884 5.1884 5.3734 5.3734 5.4751 5.4751 5.6404 5.6404 5.8077 5.8077 5.8432 5.8432 5.8609 5.8609 5.9580 5.9580 6.0039 6.0039 6.9951 6.9951 7.0521 7.0521 7.9937 7.9937 8.3165 8.3165 10.3668 10.3668 10.6934 10.6934 11.0517 11.0517 11.7579 11.7579 k = 0.0000 0.3500 0.3182 ( 5216 PWs) bands (ev): -67.4424 -67.4424 -67.4367 -67.4367 -34.4032 -34.4032 -34.3838 -34.3838 -34.1368 -34.1368 -34.1065 -34.1065 -34.0907 -34.0907 -34.0886 -34.0886 -2.5175 -2.5175 -0.9984 -0.9984 2.2312 2.2312 3.7342 3.7342 5.1197 5.1197 5.1935 5.1935 5.3674 5.3674 5.4615 5.4615 5.6474 5.6474 5.8098 5.8098 5.8450 5.8450 5.8554 5.8554 5.9607 5.9607 6.0015 6.0015 7.0436 7.0436 7.1077 7.1077 8.0131 8.0131 8.2878 8.2878 10.4312 10.4312 10.5961 10.5961 10.9818 10.9818 11.7600 11.7600 k = 0.0000 0.3625 0.3182 ( 5216 PWs) bands (ev): -67.4421 -67.4421 -67.4369 -67.4369 -34.4025 -34.4025 -34.3845 -34.3845 -34.1357 -34.1357 -34.1077 -34.1077 -34.0907 -34.0907 -34.0887 -34.0887 -2.4529 -2.4529 -1.0354 -1.0354 2.2224 2.2224 3.6326 3.6326 5.1294 5.1294 5.2002 5.2002 5.3607 5.3607 5.4481 5.4481 5.6545 5.6545 5.8118 5.8118 5.8434 5.8434 5.8532 5.8532 5.9632 5.9632 5.9999 5.9999 7.0900 7.0900 7.1694 7.1694 8.0301 8.0301 8.2547 8.2547 10.4721 10.4721 10.5083 10.5083 10.9345 10.9345 11.7717 11.7717 k = 0.0000 0.3750 0.3182 ( 5232 PWs) bands (ev): -67.4419 -67.4419 -67.4372 -67.4372 -34.4017 -34.4017 -34.3853 -34.3853 -34.1346 -34.1346 -34.1090 -34.1090 -34.0907 -34.0907 -34.0889 -34.0889 -2.3868 -2.3868 -1.0771 -1.0771 2.2220 2.2220 3.5308 3.5308 5.1396 5.1396 5.2080 5.2080 5.3536 5.3536 5.4347 5.4347 5.6618 5.6618 5.8130 5.8130 5.8393 5.8393 5.8540 5.8540 5.9655 5.9655 5.9989 5.9989 7.1363 7.1363 7.2348 7.2348 8.0436 8.0436 8.2176 8.2176 10.4099 10.4099 10.4982 10.4982 10.9232 10.9232 11.7929 11.7929 k = 0.0000 0.3875 0.3182 ( 5224 PWs) bands (ev): -67.4417 -67.4417 -67.4374 -67.4374 -34.4009 -34.4009 -34.3861 -34.3861 -34.1334 -34.1334 -34.1102 -34.1102 -34.0906 -34.0906 -34.0890 -34.0890 -2.3195 -2.3195 -1.1231 -1.1231 2.2301 2.2301 3.4296 3.4296 5.1503 5.1503 5.2166 5.2166 5.3458 5.3458 5.4216 5.4216 5.6692 5.6692 5.8122 5.8122 5.8360 5.8360 5.8555 5.8555 5.9678 5.9678 5.9983 5.9983 7.1836 7.1836 7.3024 7.3024 8.0524 8.0524 8.1776 8.1776 10.3294 10.3294 10.4777 10.4777 10.9527 10.9527 11.8232 11.8232 k = 0.0000 0.4000 0.3182 ( 5236 PWs) bands (ev): -67.4415 -67.4415 -67.4376 -67.4376 -34.4001 -34.4001 -34.3869 -34.3869 -34.1322 -34.1322 -34.1115 -34.1115 -34.0905 -34.0905 -34.0891 -34.0891 -2.2509 -2.2509 -1.1734 -1.1734 2.2462 2.2462 3.3296 3.3296 5.1613 5.1613 5.2258 5.2258 5.3376 5.3376 5.4085 5.4085 5.6768 5.6768 5.8088 5.8088 5.8350 5.8350 5.8568 5.8568 5.9702 5.9702 5.9978 5.9978 7.2324 7.2324 7.3711 7.3711 8.0539 8.0539 8.1368 8.1368 10.2563 10.2563 10.4333 10.4333 11.0127 11.0127 11.8623 11.8623 k = 0.0000 0.4125 0.3182 ( 5234 PWs) bands (ev): -67.4412 -67.4412 -67.4379 -67.4379 -34.3993 -34.3993 -34.3877 -34.3877 -34.1309 -34.1309 -34.1128 -34.1128 -34.0905 -34.0905 -34.0893 -34.0893 -2.1814 -2.1814 -1.2275 -1.2275 2.2703 2.2703 3.2314 3.2314 5.1726 5.1726 5.2355 5.2355 5.3289 5.3289 5.3957 5.3957 5.6846 5.6846 5.8029 5.8029 5.8361 5.8361 5.8578 5.8578 5.9726 5.9726 5.9973 5.9973 7.2828 7.2828 7.4403 7.4403 8.0415 8.0415 8.1016 8.1016 10.1923 10.1923 10.3776 10.3776 11.0904 11.0904 11.9097 11.9097 k = 0.0000 0.4250 0.3182 ( 5242 PWs) bands (ev): -67.4410 -67.4410 -67.4381 -67.4381 -34.3985 -34.3985 -34.3885 -34.3885 -34.1297 -34.1297 -34.1141 -34.1141 -34.0904 -34.0904 -34.0894 -34.0894 -2.1109 -2.1109 -1.2850 -1.2850 2.3019 2.3019 3.1355 3.1355 5.1842 5.1842 5.2454 5.2454 5.3198 5.3198 5.3831 5.3831 5.6926 5.6926 5.7957 5.7957 5.8383 5.8383 5.8584 5.8584 5.9750 5.9750 5.9967 5.9967 7.3348 7.3348 7.5092 7.5092 8.0077 8.0077 8.0791 8.0791 10.1384 10.1384 10.3186 10.3186 11.1781 11.1781 11.9649 11.9649 k = 0.0000 0.4375 0.3182 ( 5244 PWs) bands (ev): -67.4408 -67.4408 -67.4383 -67.4383 -34.3977 -34.3977 -34.3893 -34.3893 -34.1284 -34.1284 -34.1154 -34.1154 -34.0904 -34.0904 -34.0895 -34.0895 -2.0398 -2.0398 -1.3457 -1.3457 2.3407 2.3407 3.0422 3.0422 5.1958 5.1958 5.2555 5.2555 5.3103 5.3103 5.3707 5.3707 5.7008 5.7008 5.7877 5.7877 5.8410 5.8410 5.8586 5.8586 5.9775 5.9775 5.9960 5.9960 7.3882 7.3882 7.5770 7.5770 7.9607 7.9607 8.0612 8.0612 10.0955 10.0955 10.2607 10.2607 11.2719 11.2719 12.0275 12.0275 k = 0.0000 0.4500 0.3182 ( 5238 PWs) bands (ev): -67.4405 -67.4405 -67.4386 -67.4386 -34.3968 -34.3968 -34.3901 -34.3901 -34.1272 -34.1272 -34.1167 -34.1167 -34.0903 -34.0903 -34.0896 -34.0896 -1.9682 -1.9682 -1.4091 -1.4091 2.3864 2.3864 2.9520 2.9520 5.2076 5.2076 5.2654 5.2654 5.3008 5.3008 5.3586 5.3586 5.7091 5.7091 5.7793 5.7793 5.8437 5.8437 5.8583 5.8583 5.9800 5.9800 5.9951 5.9951 7.4429 7.4429 7.6426 7.6426 7.9090 7.9090 8.0397 8.0397 10.0643 10.0643 10.2065 10.2065 11.3699 11.3699 12.0965 12.0965 k = 0.0000 0.4625 0.3182 ( 5238 PWs) bands (ev): -67.4403 -67.4403 -67.4388 -67.4388 -34.3960 -34.3960 -34.3910 -34.3910 -34.1259 -34.1259 -34.1180 -34.1180 -34.0902 -34.0902 -34.0897 -34.0897 -1.8964 -1.8964 -1.4748 -1.4748 2.4385 2.4385 2.8653 2.8653 5.2193 5.2193 5.2738 5.2738 5.2927 5.2927 5.3467 5.3467 5.7177 5.7177 5.7706 5.7706 5.8464 5.8464 5.8577 5.8577 5.9824 5.9824 5.9939 5.9939 7.4987 7.4987 7.7035 7.7035 7.8572 7.8572 8.0122 8.0122 10.0449 10.0449 10.1576 10.1576 11.4707 11.4707 12.0805 12.0805 k = 0.0000 0.4750 0.3182 ( 5230 PWs) bands (ev): -67.4400 -67.4400 -67.4391 -67.4391 -34.3952 -34.3952 -34.3918 -34.3918 -34.1246 -34.1246 -34.1193 -34.1193 -34.0902 -34.0902 -34.0898 -34.0898 -1.8245 -1.8245 -1.5423 -1.5423 2.4967 2.4967 2.7825 2.7825 5.2310 5.2310 5.2735 5.2735 5.2931 5.2931 5.3350 5.3350 5.7263 5.7263 5.7618 5.7618 5.8490 5.8490 5.8566 5.8566 5.9848 5.9848 5.9925 5.9925 7.5552 7.5552 7.7456 7.7456 7.8197 7.8197 7.9780 7.9780 10.0375 10.0375 10.1156 10.1156 11.5736 11.5736 11.9866 11.9866 k = 0.0000 0.4875 0.3182 ( 5234 PWs) bands (ev): -67.4398 -67.4398 -67.4393 -67.4393 -34.3943 -34.3943 -34.3926 -34.3926 -34.1233 -34.1233 -34.1206 -34.1206 -34.0901 -34.0901 -34.0899 -34.0899 -1.7528 -1.7528 -1.6115 -1.6115 2.5606 2.5606 2.7038 2.7038 5.2426 5.2426 5.2646 5.2646 5.3019 5.3019 5.3236 5.3236 5.7351 5.7351 5.7529 5.7529 5.8514 5.8514 5.8552 5.8552 5.9870 5.9870 5.9909 5.9909 7.6121 7.6121 7.7212 7.7212 7.8441 7.8441 7.9375 7.9375 10.0415 10.0415 10.0815 10.0815 11.6778 11.6778 11.8859 11.8859 k = 0.0000 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.6817 -1.6817 -1.6817 -1.6817 2.6297 2.6297 2.6297 2.6297 5.2539 5.2539 5.2539 5.2539 5.3125 5.3125 5.3125 5.3125 5.7440 5.7440 5.7440 5.7440 5.8535 5.8535 5.8535 5.8535 5.9891 5.9891 5.9891 5.9891 7.6685 7.6685 7.6685 7.6685 7.8917 7.8917 7.8917 7.8917 10.0565 10.0565 10.0565 10.0565 11.7823 11.7823 11.7823 11.7823 k = 0.0000 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.6817 -1.6817 -1.6817 -1.6817 2.6297 2.6297 2.6297 2.6297 5.2539 5.2539 5.2539 5.2539 5.3125 5.3125 5.3125 5.3125 5.7440 5.7440 5.7440 5.7440 5.8535 5.8535 5.8535 5.8535 5.9891 5.9891 5.9891 5.9891 7.6685 7.6685 7.6685 7.6685 7.8917 7.8917 7.8917 7.8917 10.0565 10.0565 10.0565 10.0565 11.7823 11.7823 11.7823 11.7823 k = 0.0125 0.5000 0.3182 ( 5248 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1219 -34.1219 -34.0900 -34.0900 -34.0899 -34.0899 -1.6808 -1.6808 -1.6807 -1.6807 2.6307 2.6307 2.6308 2.6308 5.2470 5.2470 5.2599 5.2599 5.3046 5.3046 5.3193 5.3193 5.7417 5.7417 5.7435 5.7435 5.8499 5.8499 5.8582 5.8582 5.9857 5.9857 5.9927 5.9927 7.6126 7.6126 7.6557 7.6557 7.8967 7.8967 7.9478 7.9478 10.0570 10.0570 10.0612 10.0612 11.7867 11.7867 11.7882 11.7882 k = 0.0250 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1222 -34.1222 -34.1219 -34.1219 -34.0900 -34.0900 -34.0898 -34.0898 -1.6779 -1.6779 -1.6777 -1.6777 2.6338 2.6338 2.6340 2.6340 5.2392 5.2392 5.2651 5.2651 5.2953 5.2953 5.3251 5.3251 5.7371 5.7371 5.7404 5.7404 5.8476 5.8476 5.8639 5.8639 5.9827 5.9827 5.9966 5.9966 7.5295 7.5295 7.5839 7.5839 7.9534 7.9534 8.0236 8.0236 10.0627 10.0627 10.0710 10.0710 11.7998 11.7998 11.8042 11.8042 k = 0.0375 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3936 -34.3936 -34.3935 -34.3935 -34.1223 -34.1223 -34.1219 -34.1219 -34.0899 -34.0899 -34.0896 -34.0896 -1.6731 -1.6731 -1.6727 -1.6727 2.6388 2.6388 2.6392 2.6392 5.2301 5.2301 5.2691 5.2691 5.2852 5.2852 5.3301 5.3301 5.7304 5.7304 5.7346 5.7346 5.8466 5.8466 5.8702 5.8702 5.9800 5.9800 6.0007 6.0007 7.4371 7.4371 7.4919 7.4919 8.0232 8.0232 8.1014 8.1014 10.0736 10.0736 10.0857 10.0857 11.8139 11.8139 11.8272 11.8272 k = 0.0500 0.5000 0.3182 ( 5244 PWs) bands (ev): -67.4396 -67.4396 -67.4395 -67.4395 -34.3937 -34.3937 -34.3936 -34.3936 -34.1225 -34.1225 -34.1220 -34.1220 -34.0898 -34.0898 -34.0894 -34.0894 -1.6663 -1.6663 -1.6659 -1.6659 2.6460 2.6460 2.6465 2.6465 5.2196 5.2196 5.2665 5.2665 5.2795 5.2795 5.3344 5.3344 5.7220 5.7220 5.7264 5.7264 5.8467 5.8467 5.8766 5.8766 5.9777 5.9777 6.0049 6.0049 7.3408 7.3408 7.3931 7.3931 8.0934 8.0934 8.1764 8.1764 10.0891 10.0891 10.1047 10.1047 11.7887 11.7887 11.8286 11.8286 k = 0.0625 0.5000 0.3182 ( 5248 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3938 -34.3938 -34.3937 -34.3937 -34.1227 -34.1227 -34.1221 -34.1221 -34.0897 -34.0897 -34.0891 -34.0891 -1.6576 -1.6576 -1.6571 -1.6571 2.6550 2.6550 2.6557 2.6557 5.2071 5.2071 5.2529 5.2529 5.2821 5.2821 5.3382 5.3382 5.7120 5.7120 5.7163 5.7163 5.8474 5.8474 5.8831 5.8831 5.9758 5.9758 6.0092 6.0092 7.2431 7.2431 7.2918 7.2918 8.1603 8.1603 8.2466 8.2466 10.1090 10.1090 10.1277 10.1277 11.6662 11.6662 11.7087 11.7087 k = 0.0750 0.5000 0.3182 ( 5252 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3939 -34.3939 -34.3938 -34.3938 -34.1230 -34.1230 -34.1223 -34.1223 -34.0895 -34.0895 -34.0888 -34.0888 -1.6470 -1.6470 -1.6464 -1.6464 2.6661 2.6661 2.6669 2.6669 5.1925 5.1925 5.2350 5.2350 5.2862 5.2862 5.3415 5.3415 5.7006 5.7006 5.7046 5.7046 5.8485 5.8485 5.8893 5.8893 5.9741 5.9741 6.0133 6.0133 7.1456 7.1456 7.1903 7.1903 8.2224 8.2224 8.3111 8.3111 10.1327 10.1327 10.1541 10.1541 11.5051 11.5051 11.5421 11.5421 k = 0.0875 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3940 -34.3940 -34.3939 -34.3939 -34.1232 -34.1232 -34.1224 -34.1224 -34.0892 -34.0892 -34.0885 -34.0885 -1.6345 -1.6345 -1.6338 -1.6338 2.6790 2.6790 2.6800 2.6800 5.1751 5.1751 5.2138 5.2138 5.2906 5.2906 5.3445 5.3445 5.6881 5.6881 5.6915 5.6915 5.8498 5.8498 5.8951 5.8951 5.9727 5.9727 6.0173 6.0173 7.0496 7.0496 7.0902 7.0902 8.2789 8.2789 8.3694 8.3694 10.1596 10.1596 10.1833 10.1833 11.3384 11.3384 11.3724 11.3724 k = 0.1000 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3941 -34.3941 -34.3940 -34.3940 -34.1235 -34.1235 -34.1226 -34.1226 -34.0889 -34.0889 -34.0881 -34.0881 -1.6202 -1.6202 -1.6193 -1.6193 2.6938 2.6938 2.6950 2.6950 5.1547 5.1547 5.1889 5.1889 5.2951 5.2951 5.3473 5.3473 5.6746 5.6746 5.6774 5.6774 5.8511 5.8511 5.9005 5.9005 5.9716 5.9716 6.0209 6.0209 6.9565 6.9565 6.9928 6.9928 8.3293 8.3293 8.4211 8.4211 10.1892 10.1892 10.2149 10.2149 11.1736 11.1736 11.2060 11.2060 k = 0.1125 0.5000 0.3182 ( 5236 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3943 -34.3943 -34.3941 -34.3941 -34.1238 -34.1238 -34.1229 -34.1229 -34.0886 -34.0886 -34.0877 -34.0877 -1.6041 -1.6041 -1.6031 -1.6031 2.7103 2.7103 2.7117 2.7117 5.1305 5.1305 5.1598 5.1598 5.2997 5.2997 5.3500 5.3500 5.6602 5.6602 5.6624 5.6624 5.8524 5.8524 5.9052 5.9052 5.9706 5.9706 6.0242 6.0242 6.8674 6.8674 6.8993 6.8993 8.3732 8.3732 8.4657 8.4657 10.2206 10.2206 10.2484 10.2484 11.0137 11.0137 11.0453 11.0453 k = 0.1250 0.5000 0.3182 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3944 -34.3944 -34.3942 -34.3942 -34.1242 -34.1242 -34.1231 -34.1231 -34.0882 -34.0882 -34.0873 -34.0873 -1.5862 -1.5862 -1.5851 -1.5851 2.7285 2.7285 2.7301 2.7301 5.1023 5.1023 5.1263 5.1263 5.3045 5.3045 5.3525 5.3525 5.6451 5.6451 5.6467 5.6467 5.8534 5.8534 5.9094 5.9094 5.9696 5.9696 6.0270 6.0270 6.7833 6.7833 6.8111 6.8111 8.4099 8.4099 8.5027 8.5027 10.2530 10.2530 10.2830 10.2830 10.8608 10.8608 10.8925 10.8925 k = 0.1375 0.5000 0.3182 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3946 -34.3946 -34.3944 -34.3944 -34.1245 -34.1245 -34.1234 -34.1234 -34.0878 -34.0878 -34.0869 -34.0869 -1.5666 -1.5666 -1.5654 -1.5654 2.7481 2.7481 2.7500 2.7500 5.0694 5.0694 5.0879 5.0879 5.3094 5.3094 5.3549 5.3549 5.6293 5.6293 5.6307 5.6307 5.8542 5.8542 5.9129 5.9129 5.9687 5.9687 6.0291 6.0291 6.7053 6.7053 6.7289 6.7289 8.4387 8.4387 8.5313 8.5313 10.2847 10.2847 10.3177 10.3177 10.7173 10.7173 10.7504 10.7504 k = 0.1500 0.5000 0.3182 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3948 -34.3948 -34.3946 -34.3946 -34.1248 -34.1248 -34.1237 -34.1237 -34.0874 -34.0874 -34.0864 -34.0864 -1.5453 -1.5453 -1.5441 -1.5441 2.7692 2.7692 2.7714 2.7714 5.0315 5.0315 5.0444 5.0444 5.3146 5.3146 5.3572 5.3572 5.6131 5.6131 5.6145 5.6145 5.8548 5.8548 5.9156 5.9156 5.9677 5.9677 6.0305 6.0305 6.6340 6.6340 6.6538 6.6538 8.4587 8.4587 8.5508 8.5508 10.3120 10.3120 10.3495 10.3495 10.5877 10.5877 10.6243 10.6243 k = 0.1625 0.5000 0.3182 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3950 -34.3950 -34.3948 -34.3948 -34.1252 -34.1252 -34.1240 -34.1240 -34.0869 -34.0869 -34.0860 -34.0860 -1.5225 -1.5225 -1.5211 -1.5211 2.7915 2.7915 2.7940 2.7940 4.9884 4.9884 4.9957 4.9957 5.3200 5.3200 5.3593 5.3593 5.5965 5.5965 5.5983 5.5983 5.8551 5.8551 5.9175 5.9175 5.9667 5.9667 6.0312 6.0312 6.5699 6.5699 6.5863 6.5863 8.4686 8.4686 8.5598 8.5598 10.3218 10.3218 10.3614 10.3614 10.4906 10.4906 10.5288 10.5288 k = 0.1750 0.5000 0.3182 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3952 -34.3952 -34.3950 -34.3950 -34.1256 -34.1256 -34.1243 -34.1243 -34.0865 -34.0865 -34.0855 -34.0855 -1.4981 -1.4981 -1.4967 -1.4967 2.8147 2.8147 2.8177 2.8177 4.9401 4.9401 4.9419 4.9419 5.3256 5.3256 5.3612 5.3612 5.5799 5.5799 5.5826 5.5826 5.8551 5.8551 5.9186 5.9186 5.9658 5.9658 6.0310 6.0310 6.5135 6.5135 6.5269 6.5269 8.4673 8.4673 8.5570 8.5570 10.2871 10.2871 10.3053 10.3053 10.4760 10.4760 10.4927 10.4927 k = 0.1875 0.5000 0.3182 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3954 -34.3954 -34.3952 -34.3952 -34.1259 -34.1259 -34.1247 -34.1247 -34.0860 -34.0860 -34.0850 -34.0850 -1.4723 -1.4723 -1.4708 -1.4708 2.8388 2.8388 2.8422 2.8422 4.8835 4.8835 4.8869 4.8869 5.3314 5.3314 5.3628 5.3628 5.5633 5.5633 5.5677 5.5677 5.8548 5.8548 5.9187 5.9187 5.9649 5.9649 6.0299 6.0299 6.4646 6.4646 6.4757 6.4757 8.4533 8.4533 8.5410 8.5410 10.2181 10.2181 10.2200 10.2200 10.5068 10.5068 10.5076 10.5076 k = 0.2000 0.5000 0.3182 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3956 -34.3956 -34.3954 -34.3954 -34.1262 -34.1262 -34.1250 -34.1250 -34.0855 -34.0855 -34.0845 -34.0845 -1.4452 -1.4452 -1.4436 -1.4436 2.8633 2.8633 2.8672 2.8672 4.8212 4.8212 4.8293 4.8293 5.3375 5.3375 5.3638 5.3638 5.5468 5.5468 5.5538 5.5538 5.8543 5.8543 5.9179 5.9179 5.9644 5.9644 6.0281 6.0281 6.4230 6.4230 6.4324 6.4324 8.4256 8.4256 8.5108 8.5108 10.1428 10.1428 10.1483 10.1483 10.5416 10.5416 10.5471 10.5471 k = 0.2125 0.5000 0.3182 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3958 -34.3958 -34.3956 -34.3956 -34.1266 -34.1266 -34.1253 -34.1253 -34.0850 -34.0850 -34.0840 -34.0840 -1.4168 -1.4168 -1.4152 -1.4152 2.8880 2.8880 2.8924 2.8924 4.7558 4.7558 4.7681 4.7681 5.3438 5.3438 5.3641 5.3641 5.5307 5.5307 5.5415 5.5415 5.8535 5.8535 5.9161 5.9161 5.9641 5.9641 6.0257 6.0257 6.3881 6.3881 6.3965 6.3965 8.3836 8.3836 8.4658 8.4658 10.0804 10.0804 10.0904 10.0904 10.5828 10.5828 10.5910 10.5910 k = 0.2250 0.5000 0.3182 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3961 -34.3961 -34.3958 -34.3958 -34.1269 -34.1269 -34.1257 -34.1257 -34.0846 -34.0846 -34.0835 -34.0835 -1.3873 -1.3873 -1.3856 -1.3856 2.9124 2.9124 2.9174 2.9174 4.6883 4.6883 4.7045 4.7045 5.3502 5.3502 5.3635 5.3635 5.5150 5.5150 5.5310 5.5310 5.8525 5.8525 5.9134 5.9134 5.9642 5.9642 6.0227 6.0227 6.3593 6.3593 6.3672 6.3672 8.3275 8.3275 8.4064 8.4064 10.0344 10.0344 10.0475 10.0475 10.6278 10.6278 10.6373 10.6373 k = 0.2375 0.5000 0.3182 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3963 -34.3963 -34.3960 -34.3960 -34.1273 -34.1273 -34.1260 -34.1260 -34.0841 -34.0841 -34.0831 -34.0831 -1.3567 -1.3567 -1.3550 -1.3550 2.9361 2.9361 2.9417 2.9417 4.6202 4.6202 4.6395 4.6395 5.3566 5.3566 5.3616 5.3616 5.5001 5.5001 5.5226 5.5226 5.8514 5.8514 5.9100 5.9100 5.9647 5.9647 6.0195 6.0195 6.3357 6.3357 6.3437 6.3437 8.2584 8.2584 8.3338 8.3338 10.0043 10.0043 10.0201 10.0201 10.6756 10.6756 10.6856 10.6856 k = 0.2500 0.5000 0.3182 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3965 -34.3965 -34.3963 -34.3963 -34.1276 -34.1276 -34.1264 -34.1264 -34.0836 -34.0836 -34.0826 -34.0826 -1.3253 -1.3253 -1.3236 -1.3236 2.9586 2.9586 2.9648 2.9648 4.5525 4.5525 4.5747 4.5747 5.3582 5.3582 5.3626 5.3626 5.4862 5.4862 5.5167 5.5167 5.8503 5.8503 5.9062 5.9062 5.9655 5.9655 6.0162 6.0162 6.3167 6.3167 6.3251 6.3251 8.1779 8.1779 8.2497 8.2497 9.9888 9.9888 10.0069 10.0069 10.7257 10.7257 10.7357 10.7357 k = 0.2625 0.5000 0.3182 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3968 -34.3968 -34.3965 -34.3965 -34.1279 -34.1279 -34.1267 -34.1267 -34.0831 -34.0831 -34.0821 -34.0821 -1.2932 -1.2932 -1.2914 -1.2914 2.9791 2.9791 2.9860 2.9860 4.4869 4.4869 4.5114 4.5114 5.3532 5.3532 5.3680 5.3680 5.4739 5.4739 5.5134 5.5134 5.8491 5.8491 5.9022 5.9022 5.9666 5.9666 6.0129 6.0129 6.3015 6.3015 6.3105 6.3105 8.0881 8.0881 8.1565 8.1565 9.9862 9.9862 10.0061 10.0061 10.7779 10.7779 10.7875 10.7875 k = 0.2750 0.5000 0.3182 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3970 -34.3970 -34.3967 -34.3967 -34.1282 -34.1282 -34.1270 -34.1270 -34.0826 -34.0826 -34.0817 -34.0817 -1.2605 -1.2605 -1.2587 -1.2587 2.9970 2.9970 3.0045 3.0045 4.4246 4.4246 4.4510 4.4510 5.3467 5.3467 5.3716 5.3716 5.4641 5.4641 5.5128 5.5128 5.8480 5.8480 5.8981 5.8981 5.9677 5.9677 6.0098 6.0098 6.2894 6.2894 6.2992 6.2992 7.9910 7.9910 8.0564 8.0564 9.9944 9.9944 10.0157 10.0157 10.8320 10.8320 10.8412 10.8412 k = 0.2875 0.5000 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3972 -34.3972 -34.3969 -34.3969 -34.1285 -34.1285 -34.1274 -34.1274 -34.0822 -34.0822 -34.0812 -34.0812 -1.2274 -1.2274 -1.2256 -1.2256 3.0115 3.0115 3.0197 3.0197 4.3670 4.3670 4.3949 4.3949 5.3387 5.3387 5.3725 5.3725 5.4580 5.4580 5.5147 5.5147 5.8469 5.8469 5.8941 5.8941 5.9689 5.9689 6.0070 6.0070 6.2799 6.2799 6.2905 6.2905 7.8889 7.8889 7.9515 7.9515 10.0116 10.0116 10.0338 10.0338 10.8881 10.8881 10.8967 10.8967 k = 0.3000 0.5000 0.3182 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3974 -34.3974 -34.3972 -34.3972 -34.1288 -34.1288 -34.1277 -34.1277 -34.0817 -34.0817 -34.0808 -34.0808 -1.1941 -1.1941 -1.1923 -1.1923 3.0219 3.0219 3.0306 3.0306 4.3156 4.3156 4.3446 4.3446 5.3296 5.3296 5.3695 5.3695 5.4568 5.4568 5.5188 5.5188 5.8460 5.8460 5.8903 5.8903 5.9702 5.9702 6.0045 6.0045 6.2724 6.2724 6.2838 6.2838 7.7834 7.7834 7.8435 7.8435 10.0359 10.0359 10.0587 10.0587 10.9461 10.9461 10.9540 10.9540 k = 0.3125 0.5000 0.3182 ( 5200 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3976 -34.3976 -34.3974 -34.3974 -34.1290 -34.1290 -34.1280 -34.1280 -34.0813 -34.0813 -34.0804 -34.0804 -1.1608 -1.1608 -1.1590 -1.1590 3.0276 3.0276 3.0366 3.0366 4.2713 4.2713 4.3010 4.3010 5.3195 5.3195 5.3625 5.3625 5.4605 5.4605 5.5251 5.5251 5.8452 5.8452 5.8868 5.8868 5.9713 5.9713 6.0023 6.0023 6.2665 6.2665 6.2786 6.2786 7.6761 7.6761 7.7341 7.7341 10.0659 10.0659 10.0888 10.0888 11.0060 11.0060 11.0130 11.0130 k = 0.3250 0.5000 0.3182 ( 5200 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3978 -34.3978 -34.3976 -34.3976 -34.1293 -34.1293 -34.1283 -34.1283 -34.0808 -34.0808 -34.0800 -34.0800 -1.1278 -1.1278 -1.1260 -1.1260 3.0279 3.0279 3.0370 3.0370 4.2353 4.2353 4.2652 4.2652 5.3088 5.3088 5.3526 5.3526 5.4682 5.4682 5.5332 5.5332 5.8447 5.8447 5.8836 5.8836 5.9724 5.9724 6.0003 6.0003 6.2620 6.2620 6.2747 6.2747 7.5686 7.5686 7.6245 7.6245 10.1002 10.1002 10.1230 10.1230 11.0677 11.0677 11.0738 11.0738 k = 0.3375 0.5000 0.3182 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3980 -34.3980 -34.3978 -34.3978 -34.1295 -34.1295 -34.1286 -34.1286 -34.0804 -34.0804 -34.0797 -34.0797 -1.0952 -1.0952 -1.0935 -1.0935 3.0227 3.0227 3.0317 3.0317 4.2080 4.2080 4.2377 4.2377 5.2976 5.2976 5.3409 5.3409 5.4790 5.4790 5.5430 5.5430 5.8444 5.8444 5.8808 5.8808 5.9732 5.9732 5.9984 5.9984 6.2584 6.2584 6.2716 6.2716 7.4618 7.4618 7.5160 7.5160 10.1377 10.1377 10.1601 10.1601 11.1312 11.1312 11.1364 11.1364 k = 0.3500 0.5000 0.3182 ( 5200 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3982 -34.3982 -34.3980 -34.3980 -34.1297 -34.1297 -34.1288 -34.1288 -34.0801 -34.0801 -34.0794 -34.0794 -1.0634 -1.0634 -1.0617 -1.0617 3.0122 3.0122 3.0209 3.0209 4.1895 4.1895 4.2185 4.2185 5.2862 5.2862 5.3281 5.3281 5.4921 5.4921 5.5544 5.5544 5.8443 5.8443 5.8783 5.8783 5.9738 5.9738 5.9966 5.9966 6.2557 6.2557 6.2693 6.2693 7.3568 7.3568 7.4095 7.4095 10.1774 10.1774 10.1990 10.1990 11.1963 11.1963 11.2005 11.2005 k = 0.3625 0.5000 0.3182 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3984 -34.3984 -34.3982 -34.3982 -34.1299 -34.1299 -34.1291 -34.1291 -34.0797 -34.0797 -34.0791 -34.0791 -1.0326 -1.0326 -1.0309 -1.0309 2.9968 2.9968 3.0049 3.0049 4.1793 4.1793 4.2073 4.2073 5.2747 5.2747 5.3148 5.3148 5.5071 5.5071 5.5672 5.5672 5.8445 5.8445 5.8762 5.8762 5.9741 5.9741 5.9948 5.9948 6.2535 6.2535 6.2675 6.2675 7.2547 7.2547 7.3058 7.3058 10.2184 10.2184 10.2390 10.2390 11.2631 11.2631 11.2662 11.2662 k = 0.3750 0.5000 0.3182 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3985 -34.3985 -34.3984 -34.3984 -34.1301 -34.1301 -34.1293 -34.1293 -34.0794 -34.0794 -34.0788 -34.0788 -1.0031 -1.0031 -1.0015 -1.0015 2.9774 2.9774 2.9848 2.9848 4.1767 4.1767 4.2032 4.2032 5.2634 5.2634 5.3012 5.3012 5.5237 5.5237 5.5813 5.5813 5.8450 5.8450 5.8745 5.8745 5.9739 5.9739 5.9928 5.9928 6.2519 6.2519 6.2660 6.2660 7.1564 7.1564 7.2058 7.2058 10.2597 10.2597 10.2792 10.2792 11.3312 11.3312 11.3332 11.3332 k = 0.3875 0.5000 0.3182 ( 5188 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3987 -34.3987 -34.3985 -34.3985 -34.1302 -34.1302 -34.1295 -34.1295 -34.0790 -34.0790 -34.0785 -34.0785 -0.9751 -0.9751 -0.9736 -0.9736 2.9552 2.9552 2.9617 2.9617 4.1805 4.1805 4.2052 4.2052 5.2525 5.2525 5.2877 5.2877 5.5418 5.5418 5.5965 5.5965 5.8458 5.8458 5.8732 5.8732 5.9733 5.9733 5.9905 5.9905 6.2506 6.2506 6.2647 6.2647 7.0626 7.0626 7.1104 7.1104 10.3006 10.3006 10.3187 10.3187 11.4004 11.4004 11.4014 11.4014 k = 0.4000 0.5000 0.3182 ( 5188 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3988 -34.3988 -34.3986 -34.3986 -34.1303 -34.1303 -34.1297 -34.1297 -34.0788 -34.0788 -34.0783 -34.0783 -0.9490 -0.9490 -0.9477 -0.9477 2.9313 2.9313 2.9370 2.9370 4.1892 4.1892 4.2120 4.2120 5.2420 5.2420 5.2744 5.2744 5.5611 5.5611 5.6126 5.6126 5.8469 5.8469 5.8723 5.8723 5.9721 5.9721 5.9877 5.9877 6.2496 6.2496 6.2636 6.2636 6.9745 6.9745 7.0204 7.0204 10.3402 10.3402 10.3568 10.3568 11.4703 11.4703 11.4704 11.4704 k = 0.4125 0.5000 0.3182 ( 5184 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3989 -34.3989 -34.3988 -34.3988 -34.1305 -34.1305 -34.1299 -34.1299 -34.0785 -34.0785 -34.0781 -34.0781 -0.9251 -0.9251 -0.9239 -0.9239 2.9070 2.9070 2.9118 2.9118 4.2015 4.2015 4.2220 4.2220 5.2322 5.2322 5.2616 5.2616 5.5814 5.5814 5.6294 5.6294 5.8485 5.8485 5.8718 5.8718 5.9701 5.9701 5.9844 5.9844 6.2487 6.2487 6.2624 6.2624 6.8931 6.8931 6.9365 6.9365 10.3779 10.3779 10.3928 10.3928 11.5394 11.5394 11.5406 11.5406 k = 0.4250 0.5000 0.3182 ( 5188 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3990 -34.3990 -34.3989 -34.3989 -34.1306 -34.1306 -34.1301 -34.1301 -34.0783 -34.0783 -34.0779 -34.0779 -0.9037 -0.9037 -0.9026 -0.9026 2.8836 2.8836 2.8875 2.8875 4.2158 4.2158 4.2340 4.2340 5.2234 5.2234 5.2494 5.2494 5.6024 5.6024 5.6462 5.6462 5.8507 5.8507 5.8719 5.8719 5.9674 5.9674 5.9803 5.9803 6.2481 6.2481 6.2611 6.2611 6.8194 6.8194 6.8599 6.8599 10.4127 10.4127 10.4258 10.4258 11.6079 11.6079 11.6101 11.6101 k = 0.4375 0.5000 0.3182 ( 5192 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3991 -34.3991 -34.3990 -34.3990 -34.1306 -34.1306 -34.1302 -34.1302 -34.0781 -34.0781 -34.0778 -34.0778 -0.8850 -0.8850 -0.8840 -0.8840 2.8619 2.8619 2.8651 2.8651 4.2309 4.2309 4.2464 4.2464 5.2158 5.2158 5.2381 5.2381 5.6235 5.6235 5.6624 5.6624 5.8535 5.8535 5.8724 5.8724 5.9638 5.9638 5.9753 5.9753 6.2475 6.2475 6.2596 6.2596 6.7548 6.7548 6.7915 6.7915 10.4439 10.4439 10.4551 10.4551 11.6748 11.6748 11.6778 11.6778 k = 0.4500 0.5000 0.3182 ( 5192 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3992 -34.3992 -34.3991 -34.3991 -34.1307 -34.1307 -34.1304 -34.1304 -34.0779 -34.0779 -34.0777 -34.0777 -0.8693 -0.8693 -0.8685 -0.8685 2.8430 2.8430 2.8455 2.8455 4.2455 4.2455 4.2582 4.2582 5.2095 5.2095 5.2279 5.2279 5.6441 5.6441 5.6772 5.6772 5.8572 5.8572 5.8735 5.8735 5.9594 5.9594 5.9694 5.9694 6.2472 6.2472 6.2579 6.2579 6.7006 6.7006 6.7323 6.7323 10.4709 10.4709 10.4799 10.4799 11.7383 11.7383 11.7419 11.7419 k = 0.4625 0.5000 0.3182 ( 5200 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3992 -34.3992 -34.3992 -34.3992 -34.1307 -34.1307 -34.1305 -34.1305 -34.0778 -34.0778 -34.0776 -34.0776 -0.8568 -0.8568 -0.8562 -0.8562 2.8276 2.8276 2.8294 2.8294 4.2584 4.2584 4.2682 4.2682 5.2050 5.2050 5.2190 5.2190 5.6631 5.6631 5.6894 5.6894 5.8617 5.8617 5.8750 5.8750 5.9546 5.9546 5.9628 5.9628 6.2471 6.2471 6.2559 6.2559 6.6580 6.6580 6.6836 6.6836 10.4929 10.4929 10.4998 10.4998 11.7958 11.7958 11.7995 11.7995 k = 0.4750 0.5000 0.3182 ( 5200 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3992 -34.3992 -34.1307 -34.1307 -34.1306 -34.1306 -34.0777 -34.0777 -34.0776 -34.0776 -0.8477 -0.8477 -0.8473 -0.8473 2.8162 2.8162 2.8174 2.8174 4.2689 4.2689 4.2755 4.2755 5.2022 5.2022 5.2118 5.2118 5.6794 5.6794 5.6977 5.6977 5.8668 5.8668 5.8765 5.8765 5.9502 5.9502 5.9562 5.9562 6.2474 6.2474 6.2537 6.2537 6.6283 6.6283 6.6463 6.6463 10.5094 10.5094 10.5141 10.5141 11.8433 11.8433 11.8465 11.8465 k = 0.4875 0.5000 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8422 -0.8422 -0.8420 -0.8420 2.8094 2.8094 2.8100 2.8100 4.2761 4.2761 4.2795 4.2795 5.2015 5.2015 5.2063 5.2063 5.6918 5.6918 5.7012 5.7012 5.8718 5.8718 5.8769 5.8769 5.9472 5.9472 5.9505 5.9505 6.2483 6.2483 6.2515 6.2515 6.6122 6.6122 6.6215 6.6215 10.5200 10.5200 10.5223 10.5223 11.8758 11.8758 11.8777 11.8777 k = 0.5000 0.5000 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8402 -0.8402 -0.8402 -0.8402 2.8073 2.8073 2.8073 2.8073 4.2797 4.2797 4.2797 4.2797 5.2029 5.2029 5.2029 5.2029 5.6992 5.6992 5.6992 5.6992 5.8755 5.8755 5.8755 5.8755 5.9472 5.9472 5.9472 5.9472 6.2497 6.2497 6.2497 6.2497 6.6100 6.6100 6.6100 6.6100 10.5243 10.5243 10.5243 10.5243 11.8881 11.8881 11.8881 11.8881 k = 0.5000 0.5000 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8402 -0.8402 -0.8402 -0.8402 2.8073 2.8073 2.8073 2.8073 4.2797 4.2797 4.2797 4.2797 5.2029 5.2029 5.2029 5.2029 5.6992 5.6992 5.6992 5.6992 5.8755 5.8755 5.8755 5.8755 5.9472 5.9472 5.9472 5.9472 6.2497 6.2497 6.2497 6.2497 6.6100 6.6100 6.6100 6.6100 10.5243 10.5243 10.5243 10.5243 11.8881 11.8881 11.8881 11.8881 k = 0.4911 0.4911 0.3182 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1308 -34.1308 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8443 -0.8443 -0.8399 -0.8399 2.8084 2.8084 2.8110 2.8110 4.2728 4.2728 4.2827 4.2827 5.2014 5.2014 5.2065 5.2065 5.6914 5.6914 5.7015 5.7015 5.8714 5.8714 5.8773 5.8773 5.9471 5.9471 5.9507 5.9507 6.2482 6.2482 6.2516 6.2516 6.6093 6.6093 6.6246 6.6246 10.5180 10.5180 10.5241 10.5241 11.8648 11.8648 11.8886 11.8886 k = 0.4821 0.4821 0.3182 ( 5210 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3992 -34.3992 -34.1308 -34.1308 -34.1306 -34.1306 -34.0777 -34.0777 -34.0776 -34.0776 -0.8566 -0.8566 -0.8387 -0.8387 2.8121 2.8121 2.8220 2.8220 4.2532 4.2532 4.2909 4.2909 5.2015 5.2015 5.2126 5.2126 5.6773 5.6773 5.6994 5.6994 5.8651 5.8651 5.8786 5.8786 5.9491 5.9491 5.9578 5.9578 6.2468 6.2468 6.2540 6.2540 6.6123 6.6123 6.6627 6.6627 10.5000 10.5000 10.5228 10.5228 11.8034 11.8034 11.8903 11.8903 k = 0.4732 0.4732 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3994 -34.3994 -34.3991 -34.3991 -34.1308 -34.1308 -34.1304 -34.1304 -34.0778 -34.0778 -34.0776 -34.0776 -0.8768 -0.8768 -0.8368 -0.8368 2.8182 2.8182 2.8402 2.8402 4.2216 4.2216 4.3043 4.3043 5.2028 5.2028 5.2213 5.2213 5.6578 5.6578 5.6944 5.6944 5.8582 5.8582 5.8801 5.8801 5.9517 5.9517 5.9682 5.9682 6.2451 6.2451 6.2565 6.2565 6.6175 6.6175 6.7232 6.7232 10.4708 10.4708 10.5201 10.5201 11.7193 11.7193 11.8936 11.8936 k = 0.4643 0.4643 0.3182 ( 5206 PWs) bands (ev): -67.4396 -67.4396 -67.4394 -67.4394 -34.3994 -34.3994 -34.3989 -34.3989 -34.1309 -34.1309 -34.1302 -34.1302 -34.0780 -34.0780 -34.0776 -34.0776 -0.9045 -0.9045 -0.8342 -0.8342 2.8267 2.8267 2.8650 2.8650 4.1794 4.1794 4.3231 4.3231 5.2049 5.2049 5.2322 5.2322 5.6345 5.6345 5.6874 5.6874 5.8522 5.8522 5.8819 5.8819 5.9540 5.9540 5.9815 5.9815 6.2430 6.2430 6.2587 6.2587 6.6248 6.6248 6.8028 6.8028 10.4311 10.4311 10.5154 10.5154 11.6248 11.6248 11.8991 11.8991 k = 0.4554 0.4554 0.3182 ( 5188 PWs) bands (ev): -67.4396 -67.4396 -67.4394 -67.4394 -34.3995 -34.3995 -34.3986 -34.3986 -34.1309 -34.1309 -34.1299 -34.1299 -34.0782 -34.0782 -34.0777 -34.0777 -0.9393 -0.9393 -0.8309 -0.8309 2.8377 2.8377 2.8960 2.8960 4.1280 4.1280 4.3469 4.3469 5.2079 5.2079 5.2451 5.2451 5.6098 5.6098 5.6789 5.6789 5.8474 5.8474 5.8841 5.8841 5.9556 5.9556 5.9975 5.9975 6.2404 6.2404 6.2607 6.2607 6.6342 6.6342 6.8981 6.8981 10.3821 10.3821 10.5077 10.5077 11.5278 11.5278 11.9075 11.9075 k = 0.4464 0.4464 0.3182 ( 5194 PWs) bands (ev): -67.4397 -67.4397 -67.4393 -67.4393 -34.3996 -34.3996 -34.3983 -34.3983 -34.1310 -34.1310 -34.1296 -34.1296 -34.0785 -34.0785 -34.0777 -34.0777 -0.9807 -0.9807 -0.8269 -0.8269 2.8510 2.8510 2.9327 2.9327 4.0692 4.0692 4.3756 4.3756 5.2115 5.2115 5.2593 5.2593 5.5852 5.5852 5.6697 5.6697 5.8438 5.8438 5.8868 5.8868 5.9566 5.9566 6.0156 6.0156 6.2373 6.2373 6.2627 6.2627 6.6458 6.6458 7.0060 7.0060 10.3253 10.3253 10.4955 10.4955 11.4335 11.4335 11.9192 11.9192 k = 0.4375 0.4375 0.3182 ( 5196 PWs) bands (ev): -67.4397 -67.4397 -67.4393 -67.4393 -34.3997 -34.3997 -34.3980 -34.3980 -34.1312 -34.1312 -34.1292 -34.1292 -34.0788 -34.0788 -34.0778 -34.0778 -1.0280 -1.0280 -0.8223 -0.8223 2.8667 2.8667 2.9742 2.9742 4.0047 4.0047 4.4088 4.4088 5.2158 5.2158 5.2745 5.2745 5.5619 5.5619 5.6600 5.6600 5.8410 5.8410 5.8899 5.8899 5.9571 5.9571 6.0356 6.0356 6.2339 6.2339 6.2647 6.2647 6.6595 6.6595 7.1239 7.1239 10.2619 10.2619 10.4770 10.4770 11.3464 11.3464 11.9348 11.9348 k = 0.4286 0.4286 0.3182 ( 5204 PWs) bands (ev): -67.4398 -67.4398 -67.4392 -67.4392 -34.3998 -34.3998 -34.3976 -34.3976 -34.1313 -34.1313 -34.1288 -34.1288 -34.0792 -34.0792 -34.0779 -34.0779 -1.0806 -1.0806 -0.8172 -0.8172 2.8848 2.8848 3.0201 3.0201 3.9358 3.9358 4.4463 4.4463 5.2208 5.2208 5.2904 5.2904 5.5405 5.5405 5.6502 5.6502 5.8388 5.8388 5.8936 5.8936 5.9572 5.9572 6.0567 6.0567 6.2307 6.2307 6.2669 6.2669 6.6756 6.6756 7.2499 7.2499 10.1933 10.1933 10.4501 10.4501 11.2701 11.2701 11.9542 11.9542 k = 0.4196 0.4196 0.3182 ( 5208 PWs) bands (ev): -67.4399 -67.4399 -67.4391 -67.4391 -34.4000 -34.4000 -34.3972 -34.3972 -34.1314 -34.1314 -34.1284 -34.1284 -34.0795 -34.0795 -34.0780 -34.0780 -1.1379 -1.1379 -0.8116 -0.8116 2.9053 2.9053 3.0697 3.0697 3.8641 3.8641 4.4874 4.4874 5.2263 5.2263 5.3066 5.3066 5.5215 5.5215 5.6406 5.6406 5.8371 5.8371 5.8980 5.8980 5.9570 5.9570 6.0785 6.0785 6.2280 6.2280 6.2696 6.2696 6.6941 6.6941 7.3820 7.3820 10.1208 10.1208 10.4128 10.4128 11.2077 11.2077 11.9778 11.9778 k = 0.4107 0.4107 0.3182 ( 5216 PWs) bands (ev): -67.4400 -67.4400 -67.4390 -67.4390 -34.4001 -34.4001 -34.3968 -34.3968 -34.1316 -34.1316 -34.1278 -34.1278 -34.0800 -34.0800 -34.0782 -34.0782 -1.1993 -1.1993 -0.8055 -0.8055 2.9280 2.9280 3.1223 3.1223 3.7907 3.7907 4.5317 4.5317 5.2323 5.2323 5.3228 5.3228 5.5050 5.5050 5.6312 5.6312 5.8357 5.8357 5.9031 5.9031 5.9566 5.9566 6.1000 6.1000 6.2268 6.2268 6.2729 6.2729 6.7153 6.7153 7.5187 7.5187 10.0456 10.0456 10.3643 10.3643 11.1613 11.1613 12.0056 12.0056 k = 0.4018 0.4018 0.3182 ( 5212 PWs) bands (ev): -67.4401 -67.4401 -67.4389 -67.4389 -34.4003 -34.4003 -34.3963 -34.3963 -34.1318 -34.1318 -34.1272 -34.1272 -34.0804 -34.0804 -34.0783 -34.0783 -1.2641 -1.2641 -0.7991 -0.7991 2.9531 2.9531 3.1775 3.1775 3.7167 3.7167 4.5784 4.5784 5.2388 5.2388 5.3388 5.3388 5.4912 5.4912 5.6223 5.6223 5.8346 5.8346 5.9088 5.9088 5.9563 5.9563 6.1198 6.1198 6.2281 6.2281 6.2771 6.2771 6.7394 6.7394 7.6585 7.6585 9.9689 9.9689 10.3050 10.3050 11.1313 11.1313 12.0374 12.0374 k = 0.3929 0.3929 0.3182 ( 5208 PWs) bands (ev): -67.4402 -67.4402 -67.4388 -67.4388 -34.4005 -34.4005 -34.3957 -34.3957 -34.1320 -34.1320 -34.1266 -34.1266 -34.0809 -34.0809 -34.0785 -34.0785 -1.3318 -1.3318 -0.7925 -0.7925 2.9804 2.9804 3.2347 3.2347 3.6429 3.6429 4.6267 4.6267 5.2457 5.2457 5.3540 5.3540 5.4801 5.4801 5.6141 5.6141 5.8336 5.8336 5.9149 5.9149 5.9561 5.9561 6.1359 6.1359 6.2335 6.2335 6.2831 6.2831 6.7669 6.7669 7.7997 7.7997 9.8914 9.8914 10.2374 10.2374 11.1167 11.1167 12.0733 12.0733 k = 0.3839 0.3839 0.3182 ( 5206 PWs) bands (ev): -67.4403 -67.4403 -67.4387 -67.4387 -34.4007 -34.4007 -34.3951 -34.3951 -34.1323 -34.1323 -34.1259 -34.1259 -34.0814 -34.0814 -34.0786 -34.0786 -1.4018 -1.4018 -0.7857 -0.7857 3.0099 3.0099 3.2937 3.2937 3.5701 3.5701 4.6759 4.6759 5.2531 5.2531 5.3679 5.3679 5.4720 5.4720 5.6067 5.6067 5.8328 5.8328 5.9211 5.9211 5.9564 5.9564 6.1468 6.1468 6.2432 6.2432 6.2922 6.2922 6.7979 6.7979 7.9404 7.9404 9.8143 9.8143 10.1648 10.1648 11.1154 11.1154 12.1131 12.1131 k = 0.3750 0.3750 0.3182 ( 5214 PWs) bands (ev): -67.4404 -67.4404 -67.4386 -67.4386 -34.4009 -34.4009 -34.3945 -34.3945 -34.1326 -34.1326 -34.1251 -34.1251 -34.0819 -34.0819 -34.0788 -34.0788 -1.4737 -1.4737 -0.7788 -0.7788 3.0416 3.0416 3.3538 3.3538 3.4992 3.4992 4.7250 4.7250 5.2608 5.2608 5.3798 5.3798 5.4674 5.4674 5.6003 5.6003 5.8321 5.8321 5.9265 5.9265 5.9580 5.9580 6.1529 6.1529 6.2550 6.2550 6.3067 6.3067 6.8331 6.8331 8.0784 8.0784 9.7382 9.7382 10.0912 10.0912 11.1256 11.1256 12.1568 12.1568 k = 0.3661 0.3661 0.3182 ( 5218 PWs) bands (ev): -67.4406 -67.4406 -67.4385 -67.4385 -34.4012 -34.4012 -34.3939 -34.3939 -34.1329 -34.1329 -34.1244 -34.1244 -34.0824 -34.0824 -34.0790 -34.0790 -1.5471 -1.5471 -0.7720 -0.7720 3.0754 3.0754 3.4120 3.4120 3.4337 3.4337 4.7730 4.7730 5.2687 5.2687 5.3886 5.3886 5.4668 5.4668 5.5953 5.5953 5.8315 5.8315 5.9301 5.9301 5.9615 5.9615 6.1560 6.1560 6.2655 6.2655 6.3283 6.3283 6.8728 6.8728 8.2106 8.2106 9.6640 9.6640 10.0209 10.0209 11.1455 11.1455 12.2043 12.2043 k = 0.3571 0.3571 0.3182 ( 5222 PWs) bands (ev): -67.4407 -67.4407 -67.4383 -67.4383 -34.4014 -34.4014 -34.3932 -34.3932 -34.1332 -34.1332 -34.1235 -34.1235 -34.0829 -34.0829 -34.0792 -34.0792 -1.6215 -1.6215 -0.7653 -0.7653 3.1111 3.1111 3.3636 3.3636 3.4786 3.4786 4.8193 4.8193 5.2770 5.2770 5.3939 5.3939 5.4700 5.4700 5.5920 5.5920 5.8311 5.8311 5.9315 5.9315 5.9670 5.9670 6.1580 6.1580 6.2740 6.2740 6.3563 6.3563 6.9174 6.9174 8.3329 8.3329 9.5923 9.5923 9.9588 9.9588 11.1738 11.1738 12.2555 12.2555 k = 0.3482 0.3482 0.3182 ( 5220 PWs) bands (ev): -67.4408 -67.4408 -67.4382 -67.4382 -34.4017 -34.4017 -34.3925 -34.3925 -34.1336 -34.1336 -34.1226 -34.1226 -34.0835 -34.0835 -34.0794 -34.0794 -1.6966 -1.6966 -0.7589 -0.7589 3.1484 3.1484 3.3017 3.3017 3.5414 3.5414 4.8631 4.8631 5.2854 5.2854 5.3963 5.3963 5.4759 5.4759 5.5910 5.5910 5.8308 5.8308 5.9309 5.9309 5.9737 5.9737 6.1603 6.1603 6.2814 6.2814 6.3888 6.3888 6.9673 6.9673 8.4399 8.4399 9.5239 9.5239 9.9109 9.9109 11.2097 11.2097 12.3102 12.3102 k = 0.3393 0.3393 0.3182 ( 5218 PWs) bands (ev): -67.4410 -67.4410 -67.4381 -67.4381 -34.4020 -34.4020 -34.3918 -34.3918 -34.1340 -34.1340 -34.1217 -34.1217 -34.0840 -34.0840 -34.0795 -34.0795 -1.7720 -1.7720 -0.7529 -0.7529 3.1848 3.1848 3.2462 3.2462 3.6049 3.6049 4.9038 4.9038 5.2940 5.2940 5.3970 5.3970 5.4824 5.4824 5.5926 5.5926 5.8306 5.8306 5.9292 5.9292 5.9801 5.9801 6.1640 6.1640 6.2885 6.2885 6.4245 6.4245 7.0226 7.0226 8.5253 8.5253 9.4595 9.4595 9.8835 9.8835 11.2527 11.2527 12.3684 12.3684 k = 0.3304 0.3304 0.3182 ( 5218 PWs) bands (ev): -67.4411 -67.4411 -67.4379 -67.4379 -34.4023 -34.4023 -34.3911 -34.3911 -34.1344 -34.1344 -34.1207 -34.1207 -34.0845 -34.0845 -34.0798 -34.0798 -1.8475 -1.8475 -0.7475 -0.7475 3.1788 3.1788 3.2388 3.2388 3.6689 3.6689 4.9411 4.9411 5.3027 5.3027 5.3968 5.3968 5.4881 5.4881 5.5974 5.5974 5.8306 5.8306 5.9265 5.9265 5.9855 5.9855 6.1695 6.1695 6.2958 6.2958 6.4626 6.4626 7.0835 7.0835 8.5826 8.5826 9.3997 9.3997 9.8827 9.8827 11.3026 11.3026 12.4300 12.4300 k = 0.3214 0.3214 0.3182 ( 5218 PWs) bands (ev): -67.4413 -67.4413 -67.4378 -67.4378 -34.4026 -34.4026 -34.3903 -34.3903 -34.1349 -34.1349 -34.1197 -34.1197 -34.0850 -34.0850 -34.0800 -34.0800 -1.9227 -1.9227 -0.7426 -0.7426 3.1315 3.1315 3.2790 3.2790 3.7331 3.7331 4.9749 4.9749 5.3114 5.3114 5.3965 5.3965 5.4922 5.4922 5.6052 5.6052 5.8309 5.8309 5.9232 5.9232 5.9891 5.9891 6.1771 6.1771 6.3035 6.3035 6.5028 6.5028 7.1495 7.1495 8.6081 8.6081 9.3453 9.3453 9.9119 9.9119 11.3594 11.3594 12.4949 12.4949 k = 0.3125 0.3125 0.3182 ( 5210 PWs) bands (ev): -67.4414 -67.4414 -67.4376 -67.4376 -34.4030 -34.4030 -34.3896 -34.3896 -34.1354 -34.1354 -34.1187 -34.1187 -34.0855 -34.0855 -34.0802 -34.0802 -1.9975 -1.9975 -0.7385 -0.7385 3.0857 3.0857 3.3239 3.3239 3.7975 3.7975 5.0054 5.0054 5.3201 5.3201 5.3963 5.3963 5.4946 5.4946 5.6156 5.6156 5.8314 5.8314 5.9193 5.9193 5.9908 5.9908 6.1866 6.1866 6.3118 6.3118 6.5449 6.5449 7.2201 7.2201 8.6022 8.6022 9.2973 9.2973 9.9695 9.9695 11.4232 11.4232 12.5630 12.5630 k = 0.3036 0.3036 0.3182 ( 5212 PWs) bands (ev): -67.4416 -67.4416 -67.4374 -67.4374 -34.4033 -34.4033 -34.3888 -34.3888 -34.1359 -34.1359 -34.1176 -34.1176 -34.0860 -34.0860 -34.0804 -34.0804 -2.0717 -2.0717 -0.7352 -0.7352 3.0442 3.0442 3.3711 3.3711 3.8617 3.8617 5.0327 5.0327 5.3287 5.3287 5.3964 5.3964 5.4956 5.4956 5.6278 5.6278 5.8322 5.8322 5.9149 5.9149 5.9907 5.9907 6.1978 6.1978 6.3209 6.3209 6.5885 6.5885 7.2941 7.2941 8.5696 8.5696 9.2570 9.2570 10.0495 10.0495 11.4938 11.4938 12.6338 12.6338 k = 0.2946 0.2946 0.3182 ( 5208 PWs) bands (ev): -67.4418 -67.4418 -67.4373 -67.4373 -34.4037 -34.4037 -34.3880 -34.3880 -34.1364 -34.1364 -34.1165 -34.1165 -34.0865 -34.0865 -34.0806 -34.0806 -2.1450 -2.1450 -0.7329 -0.7329 3.0075 3.0075 3.4201 3.4201 3.9256 3.9256 5.0573 5.0573 5.3371 5.3371 5.3970 5.3970 5.4956 5.4956 5.6411 5.6411 5.8334 5.8334 5.9100 5.9100 5.9890 5.9890 6.2100 6.2100 6.3307 6.3307 6.6338 6.6338 7.3700 7.3700 8.5164 8.5164 9.2257 9.2257 10.1439 10.1439 11.5708 11.5708 12.7050 12.7050 k = 0.2857 0.2857 0.3182 ( 5200 PWs) bands (ev): -67.4419 -67.4419 -67.4371 -67.4371 -34.4041 -34.4041 -34.3872 -34.3872 -34.1370 -34.1370 -34.1153 -34.1153 -34.0869 -34.0869 -34.0809 -34.0809 -2.2172 -2.2172 -0.7316 -0.7316 2.9760 2.9760 3.4707 3.4707 3.9889 3.9889 5.0798 5.0798 5.3454 5.3454 5.3981 5.3981 5.4952 5.4952 5.6549 5.6549 5.8352 5.8352 5.9048 5.9048 5.9861 5.9861 6.2229 6.2229 6.3414 6.3414 6.6805 6.6805 7.4459 7.4459 8.4485 8.4485 9.2052 9.2052 10.2446 10.2446 11.6525 11.6525 12.6497 12.6497 k = 0.2768 0.2768 0.3182 ( 5200 PWs) bands (ev): -67.4421 -67.4421 -67.4369 -67.4369 -34.4045 -34.4045 -34.3865 -34.3865 -34.1377 -34.1377 -34.1141 -34.1141 -34.0874 -34.0874 -34.0811 -34.0811 -2.2883 -2.2883 -0.7313 -0.7313 2.9496 2.9496 3.5228 3.5228 4.0512 4.0512 5.1007 5.1007 5.3534 5.3534 5.3997 5.3997 5.4946 5.4946 5.6686 5.6686 5.8374 5.8374 5.8991 5.8991 5.9822 5.9822 6.2361 6.2361 6.3530 6.3530 6.7286 6.7286 7.5195 7.5195 8.3703 8.3703 9.1974 9.1974 10.3447 10.3447 11.7342 11.7342 12.5365 12.5365 k = 0.2679 0.2679 0.3182 ( 5204 PWs) bands (ev): -67.4423 -67.4423 -67.4368 -67.4368 -34.4049 -34.4049 -34.3857 -34.3857 -34.1383 -34.1383 -34.1129 -34.1129 -34.0878 -34.0878 -34.0814 -34.0814 -2.3581 -2.3581 -0.7322 -0.7322 2.9287 2.9287 3.5764 3.5764 4.1120 4.1120 5.1207 5.1207 5.3610 5.3610 5.4017 5.4017 5.4940 5.4940 5.6819 5.6819 5.8404 5.8404 5.8932 5.8932 5.9777 5.9777 6.2495 6.2495 6.3655 6.3655 6.7781 6.7781 7.5883 7.5883 8.2850 8.2850 9.2041 9.2041 10.4378 10.4378 11.8051 11.8051 12.4526 12.4526 k = 0.2589 0.2589 0.3182 ( 5208 PWs) bands (ev): -67.4425 -67.4425 -67.4366 -67.4366 -34.4053 -34.4053 -34.3850 -34.3850 -34.1390 -34.1390 -34.1117 -34.1117 -34.0881 -34.0881 -34.0816 -34.0816 -2.4264 -2.4264 -0.7343 -0.7343 2.9133 2.9133 3.6312 3.6312 4.1709 4.1709 5.1406 5.1406 5.3681 5.3681 5.4044 5.4044 5.4936 5.4936 5.6943 5.6943 5.8439 5.8439 5.8871 5.8871 5.9727 5.9727 6.2630 6.2630 6.3790 6.3790 6.8288 6.8288 7.6498 7.6498 8.1950 8.1950 9.2272 9.2272 10.5181 10.5181 11.8460 11.8460 12.4226 12.4226 k = 0.2500 0.2500 0.3182 ( 5208 PWs) bands (ev): -67.4426 -67.4426 -67.4364 -67.4364 -34.4058 -34.4058 -34.3842 -34.3842 -34.1397 -34.1397 -34.1105 -34.1105 -34.0885 -34.0885 -34.0819 -34.0819 -2.4931 -2.4931 -0.7376 -0.7376 2.9035 2.9035 3.6871 3.6871 4.2273 4.2273 5.1609 5.1609 5.3748 5.3748 5.4077 5.4077 5.4935 5.4935 5.7057 5.7057 5.8480 5.8480 5.8812 5.8812 5.9674 5.9674 6.2765 6.2765 6.3934 6.3934 6.8808 6.8808 7.7019 7.7019 8.1020 8.1020 9.2680 9.2680 10.5796 10.5796 11.8442 11.8442 12.4646 12.4646 k = 0.2411 0.2411 0.3182 ( 5216 PWs) bands (ev): -67.4428 -67.4428 -67.4363 -67.4363 -34.4062 -34.4062 -34.3834 -34.3834 -34.1404 -34.1404 -34.1093 -34.1093 -34.0888 -34.0888 -34.0821 -34.0821 -2.5582 -2.5582 -0.7421 -0.7421 2.8992 2.8992 3.7441 3.7441 4.2805 4.2805 5.1823 5.1823 5.3809 5.3809 5.4117 5.4117 5.4936 5.4936 5.7159 5.7159 5.8518 5.8518 5.8763 5.8763 5.9619 5.9619 6.2902 6.2902 6.4090 6.4090 6.9338 6.9338 7.7432 7.7432 8.0073 8.0073 9.3269 9.3269 10.6167 10.6167 11.8155 11.8155 12.5679 12.5679 k = 0.2321 0.2321 0.3182 ( 5224 PWs) bands (ev): -67.4430 -67.4430 -67.4361 -67.4361 -34.4067 -34.4067 -34.3827 -34.3827 -34.1412 -34.1412 -34.1080 -34.1080 -34.0891 -34.0891 -34.0824 -34.0824 -2.6215 -2.6215 -0.7477 -0.7477 2.9005 2.9005 3.8019 3.8019 4.3300 4.3300 5.2052 5.2052 5.3864 5.3864 5.4166 5.4166 5.4940 5.4940 5.7247 5.7247 5.8534 5.8534 5.8746 5.8746 5.9563 5.9563 6.3041 6.3041 6.4259 6.4259 6.9879 6.9879 7.7719 7.7719 7.9131 7.9131 9.4036 9.4036 10.6243 10.6243 11.7867 11.7867 12.7104 12.7104 k = 0.2232 0.2232 0.3182 ( 5222 PWs) bands (ev): -67.4432 -67.4432 -67.4359 -67.4359 -34.4071 -34.4071 -34.3820 -34.3820 -34.1419 -34.1419 -34.1068 -34.1068 -34.0894 -34.0894 -34.0826 -34.0826 -2.6829 -2.6829 -0.7545 -0.7545 2.9073 2.9073 3.8605 3.8605 4.3751 4.3751 5.2297 5.2297 5.3915 5.3915 5.4225 5.4225 5.4948 5.4948 5.7322 5.7322 5.8508 5.8508 5.8778 5.8778 5.9506 5.9506 6.3183 6.3183 6.4444 6.4444 7.0430 7.0430 7.7763 7.7763 7.8325 7.8325 9.4964 9.4964 10.6006 10.6006 11.7740 11.7740 12.8775 12.8775 k = 0.2143 0.2143 0.3182 ( 5226 PWs) bands (ev): -67.4433 -67.4433 -67.4357 -67.4357 -34.4076 -34.4076 -34.3813 -34.3813 -34.1426 -34.1426 -34.1056 -34.1056 -34.0896 -34.0896 -34.0829 -34.0829 -2.7424 -2.7424 -0.7623 -0.7623 2.9196 2.9196 3.9197 3.9197 4.4153 4.4153 5.2557 5.2557 5.3963 5.3963 5.4297 5.4297 5.4957 5.4957 5.7384 5.7384 5.8455 5.8455 5.8843 5.8843 5.9449 5.9449 6.3328 6.3328 6.4648 6.4648 7.0988 7.0988 7.7053 7.7053 7.8183 7.8183 9.6033 9.6033 10.5477 10.5477 11.7826 11.7826 13.0598 13.0598 k = 0.2054 0.2054 0.3182 ( 5218 PWs) bands (ev): -67.4435 -67.4435 -67.4356 -67.4356 -34.4080 -34.4080 -34.3806 -34.3806 -34.1434 -34.1434 -34.1043 -34.1043 -34.0898 -34.0898 -34.0831 -34.0831 -2.8000 -2.8000 -0.7711 -0.7711 2.9373 2.9373 3.9792 3.9792 4.4505 4.4505 5.2822 5.2822 5.4010 5.4010 5.4389 5.4389 5.4969 5.4969 5.7435 5.7435 5.8396 5.8396 5.8920 5.8920 5.9392 5.9392 6.3477 6.3477 6.4875 6.4875 7.1553 7.1553 7.6118 7.6118 7.8198 7.8198 9.7216 9.7216 10.4713 10.4713 11.8112 11.8112 13.1787 13.1787 k = 0.1964 0.1964 0.3182 ( 5214 PWs) bands (ev): -67.4437 -67.4437 -67.4354 -67.4354 -34.4085 -34.4085 -34.3800 -34.3800 -34.1441 -34.1441 -34.1031 -34.1031 -34.0900 -34.0900 -34.0833 -34.0833 -2.8554 -2.8554 -0.7807 -0.7807 2.9603 2.9603 4.0390 4.0390 4.4803 4.4803 5.3078 5.3078 5.4057 5.4057 5.4510 5.4510 5.4983 5.4983 5.7476 5.7476 5.8336 5.8336 5.8998 5.8998 5.9336 5.9336 6.3629 6.3629 6.5132 6.5132 7.2123 7.2123 7.5171 7.5171 7.8178 7.8178 9.8484 9.8484 10.3782 10.3782 11.8555 11.8555 13.2035 13.2035 k = 0.1875 0.1875 0.3182 ( 5222 PWs) bands (ev): -67.4439 -67.4439 -67.4353 -67.4353 -34.4090 -34.4090 -34.3793 -34.3793 -34.1449 -34.1449 -34.1019 -34.1019 -34.0901 -34.0901 -34.0836 -34.0836 -2.9087 -2.9087 -0.7912 -0.7912 2.9884 2.9884 4.0987 4.0987 4.5051 4.5051 5.3301 5.3301 5.4105 5.4105 5.4676 5.4676 5.4998 5.4998 5.7510 5.7510 5.8280 5.8280 5.9067 5.9067 5.9285 5.9285 6.3783 6.3783 6.5423 6.5423 7.2695 7.2695 7.4234 7.4234 7.8120 7.8120 9.9807 9.9807 10.2744 10.2744 11.9113 11.9113 13.2242 13.2242 k = 0.1786 0.1786 0.3182 ( 5222 PWs) bands (ev): -67.4440 -67.4440 -67.4351 -67.4351 -34.4094 -34.4094 -34.3787 -34.3787 -34.1456 -34.1456 -34.1007 -34.1007 -34.0903 -34.0903 -34.0838 -34.0838 -2.9599 -2.9599 -0.8022 -0.8022 3.0214 3.0214 4.1583 4.1583 4.5250 4.5250 5.3475 5.3475 5.4151 5.4151 5.4893 5.4893 5.5016 5.5016 5.7537 5.7537 5.8231 5.8231 5.9109 5.9109 5.9250 5.9250 6.3940 6.3940 6.5755 6.5755 7.3197 7.3197 7.3389 7.3389 7.8033 7.8033 10.1145 10.1145 10.1651 10.1651 11.9752 11.9752 13.1371 13.1371 k = 0.1696 0.1696 0.3182 ( 5230 PWs) bands (ev): -67.4442 -67.4442 -67.4349 -67.4349 -34.4099 -34.4099 -34.3781 -34.3781 -34.1463 -34.1463 -34.0995 -34.0995 -34.0904 -34.0904 -34.0840 -34.0840 -3.0088 -3.0088 -0.8138 -0.8138 3.0593 3.0593 4.2175 4.2175 4.5406 4.5406 5.3598 5.3598 5.4192 5.4192 5.5021 5.5021 5.5168 5.5168 5.7559 5.7559 5.8193 5.8193 5.9098 5.9098 5.9253 5.9253 6.4097 6.4097 6.6136 6.6136 7.2410 7.2410 7.3861 7.3861 7.7926 7.7926 10.0511 10.0511 10.2489 10.2489 12.0449 12.0449 13.0170 13.0170 k = 0.1607 0.1607 0.3182 ( 5222 PWs) bands (ev): -67.4443 -67.4443 -67.4348 -67.4348 -34.4103 -34.4103 -34.3776 -34.3776 -34.1470 -34.1470 -34.0984 -34.0984 -34.0905 -34.0905 -34.0842 -34.0842 -3.0555 -3.0555 -0.8258 -0.8258 3.1018 3.1018 4.2760 4.2760 4.5523 4.5523 5.3680 5.3680 5.4225 5.4225 5.5037 5.5037 5.5450 5.5450 5.7578 5.7578 5.8171 5.8171 5.9051 5.9051 5.9271 5.9271 6.4254 6.4254 6.6571 6.6571 7.1556 7.1556 7.4433 7.4433 7.7808 7.7808 9.9379 9.9379 10.3762 10.3762 12.1187 12.1187 12.8960 12.8960 k = 0.1518 0.1518 0.3182 ( 5222 PWs) bands (ev): -67.4445 -67.4445 -67.4347 -67.4347 -34.4107 -34.4107 -34.3770 -34.3770 -34.1477 -34.1477 -34.0973 -34.0973 -34.0906 -34.0906 -34.0844 -34.0844 -3.0998 -3.0998 -0.8380 -0.8380 3.1486 3.1486 4.3336 4.3336 4.5607 4.5607 5.3734 5.3734 5.4249 5.4249 5.5049 5.5049 5.5726 5.5726 5.7594 5.7594 5.8171 5.8171 5.8993 5.8993 5.9274 5.9274 6.4410 6.4410 6.7064 6.7064 7.0745 7.0745 7.5002 7.5002 7.7685 7.7685 9.8260 9.8260 10.4923 10.4923 12.1953 12.1953 12.7752 12.7752 k = 0.1429 0.1429 0.3182 ( 5216 PWs) bands (ev): -67.4446 -67.4446 -67.4345 -67.4345 -34.4112 -34.4112 -34.3765 -34.3765 -34.1484 -34.1484 -34.0962 -34.0962 -34.0907 -34.0907 -34.0846 -34.0846 -3.1418 -3.1418 -0.8504 -0.8504 3.1996 3.1996 4.3900 4.3900 4.5665 4.5665 5.3768 5.3768 5.4261 5.4261 5.5059 5.5059 5.5964 5.5964 5.7607 5.7607 5.8198 5.8198 5.8929 5.8929 5.9250 5.9250 6.4563 6.4563 6.7617 6.7617 6.9992 6.9992 7.5564 7.5564 7.7564 7.7564 9.7166 9.7166 10.5905 10.5905 12.2738 12.2738 12.6560 12.6560 k = 0.1339 0.1339 0.3182 ( 5216 PWs) bands (ev): -67.4447 -67.4447 -67.4344 -67.4344 -34.4116 -34.4116 -34.3760 -34.3760 -34.1490 -34.1490 -34.0952 -34.0952 -34.0907 -34.0907 -34.0848 -34.0848 -3.1813 -3.1813 -0.8627 -0.8627 3.2545 3.2545 4.4450 4.4450 4.5701 4.5701 5.3787 5.3787 5.4263 5.4263 5.5065 5.5065 5.6143 5.6143 5.7619 5.7619 5.8259 5.8259 5.8862 5.8862 5.9196 5.9196 6.4714 6.4714 6.8224 6.8224 6.9315 6.9315 7.6112 7.6112 7.7453 7.7453 9.6106 9.6106 10.6630 10.6630 12.3535 12.3535 12.5392 12.5392 k = 0.1250 0.1250 0.3182 ( 5216 PWs) bands (ev): -67.4449 -67.4449 -67.4342 -67.4342 -34.4119 -34.4119 -34.3756 -34.3756 -34.1496 -34.1496 -34.0942 -34.0942 -34.0907 -34.0907 -34.0850 -34.0850 -3.2185 -3.2185 -0.8749 -0.8749 3.3130 3.3130 4.4977 4.4977 4.5724 4.5724 5.3792 5.3792 5.4251 5.4251 5.5069 5.5069 5.6248 5.6248 5.7627 5.7627 5.8354 5.8354 5.8789 5.8789 5.9114 5.9114 6.4859 6.4859 6.8594 6.8594 6.9013 6.9013 7.6631 7.6631 7.7369 7.7369 9.5089 9.5089 10.7022 10.7022 12.4242 12.4242 12.4351 12.4351 k = 0.1161 0.1161 0.3182 ( 5212 PWs) bands (ev): -67.4450 -67.4450 -67.4341 -67.4341 -34.4123 -34.4123 -34.3751 -34.3751 -34.1502 -34.1502 -34.0933 -34.0933 -34.0908 -34.0908 -34.0851 -34.0851 -3.2532 -3.2532 -0.8868 -0.8868 3.3749 3.3749 4.5456 4.5456 4.5763 4.5763 5.3779 5.3779 5.4226 5.4226 5.5069 5.5069 5.6278 5.6278 5.7632 5.7632 5.8469 5.8469 5.8711 5.8711 5.9015 5.9015 6.4998 6.4998 6.8131 6.8131 6.9687 6.9687 7.7019 7.7019 7.7415 7.7415 9.4121 9.4121 10.7037 10.7037 12.3164 12.3164 12.5123 12.5123 k = 0.1071 0.1071 0.3182 ( 5208 PWs) bands (ev): -67.4451 -67.4451 -67.4340 -67.4340 -34.4127 -34.4127 -34.3747 -34.3747 -34.1507 -34.1507 -34.0924 -34.0924 -34.0907 -34.0907 -34.0853 -34.0853 -3.2855 -3.2855 -0.8983 -0.8983 3.4398 3.4398 4.5653 4.5653 4.6050 4.6050 5.3737 5.3737 5.4191 5.4191 5.5066 5.5066 5.6238 5.6238 5.7633 5.7633 5.8555 5.8555 5.8652 5.8652 5.8925 5.8925 6.5128 6.5128 6.7706 6.7706 7.0464 7.0464 7.7074 7.7074 7.7797 7.7797 9.3206 9.3206 10.6678 10.6678 12.2120 12.2120 12.5876 12.5876 k = 0.0982 0.0982 0.3182 ( 5204 PWs) bands (ev): -67.4452 -67.4452 -67.4339 -67.4339 -34.4130 -34.4130 -34.3743 -34.3743 -34.1512 -34.1512 -34.0917 -34.0917 -34.0907 -34.0907 -34.0854 -34.0854 -3.3152 -3.3152 -0.9093 -0.9093 3.5073 3.5073 4.5658 4.5658 4.6497 4.6497 5.3646 5.3646 5.4153 5.4153 5.5059 5.5059 5.6139 5.6139 5.7629 5.7629 5.8480 5.8480 5.8679 5.8679 5.8909 5.8909 6.5246 6.5246 6.7371 6.7371 7.1279 7.1279 7.7049 7.7049 7.8267 7.8267 9.2348 9.2348 10.5999 10.5999 12.1131 12.1131 12.6620 12.6620 k = 0.0893 0.0893 0.3182 ( 5200 PWs) bands (ev): -67.4453 -67.4453 -67.4338 -67.4338 -34.4133 -34.4133 -34.3740 -34.3740 -34.1517 -34.1517 -34.0911 -34.0911 -34.0904 -34.0904 -34.0856 -34.0856 -3.3424 -3.3424 -0.9197 -0.9197 3.5771 3.5771 4.5640 4.5640 4.6932 4.6932 5.3479 5.3479 5.4121 5.4121 5.5047 5.5047 5.6001 5.6001 5.7622 5.7622 5.8368 5.8368 5.8646 5.8646 5.8999 5.8999 6.5350 6.5350 6.7127 6.7127 7.2108 7.2108 7.7047 7.7047 7.8730 7.8730 9.1551 9.1551 10.5077 10.5077 12.0204 12.0204 12.7374 12.7374 k = 0.0804 0.0804 0.3182 ( 5204 PWs) bands (ev): -67.4454 -67.4454 -67.4337 -67.4337 -34.4136 -34.4136 -34.3737 -34.3737 -34.1521 -34.1521 -34.0910 -34.0910 -34.0899 -34.0899 -34.0857 -34.0857 -3.3671 -3.3671 -0.9294 -0.9294 3.6487 3.6487 4.5616 4.5616 4.7340 4.7340 5.3214 5.3214 5.4101 5.4101 5.5033 5.5033 5.5849 5.5849 5.7610 5.7610 5.8264 5.8264 5.8590 5.8590 5.9119 5.9119 6.5437 6.5437 6.6964 6.6964 7.2920 7.2920 7.7101 7.7101 7.9173 7.9173 9.0819 9.0819 10.3991 10.3991 11.9345 11.9345 12.8111 12.8111 k = 0.0714 0.0714 0.3182 ( 5196 PWs) bands (ev): -67.4455 -67.4455 -67.4336 -67.4336 -34.4139 -34.4139 -34.3734 -34.3734 -34.1525 -34.1525 -34.0909 -34.0909 -34.0893 -34.0893 -34.0858 -34.0858 -3.3892 -3.3892 -0.9383 -0.9383 3.7213 3.7213 4.5589 4.5589 4.7714 4.7714 5.2846 5.2846 5.4091 5.4091 5.5016 5.5016 5.5706 5.5706 5.7595 5.7595 5.8179 5.8179 5.8535 5.8535 5.9234 5.9234 6.5509 6.5509 6.6872 6.6872 7.3669 7.3669 7.7245 7.7245 7.9589 7.9589 9.0154 9.0154 10.2808 10.2808 11.8559 11.8559 12.8811 12.8811 k = 0.0625 0.0625 0.3182 ( 5188 PWs) bands (ev): -67.4455 -67.4455 -67.4336 -67.4336 -34.4141 -34.4141 -34.3732 -34.3732 -34.1529 -34.1529 -34.0909 -34.0909 -34.0888 -34.0888 -34.0859 -34.0859 -3.4088 -3.4088 -0.9464 -0.9464 3.7943 3.7943 4.5561 4.5561 4.8051 4.8051 5.2385 5.2385 5.4087 5.4087 5.4998 5.4998 5.5586 5.5586 5.7579 5.7579 5.8115 5.8115 5.8484 5.8484 5.9338 5.9338 6.5566 6.5566 6.6833 6.6833 7.4294 7.4294 7.7523 7.7523 7.9978 7.9978 8.9560 8.9560 10.1582 10.1582 11.7851 11.7851 12.9462 12.9462 k = 0.0536 0.0536 0.3182 ( 5190 PWs) bands (ev): -67.4456 -67.4456 -67.4335 -67.4335 -34.4143 -34.4143 -34.3730 -34.3730 -34.1532 -34.1532 -34.0909 -34.0909 -34.0883 -34.0883 -34.0859 -34.0859 -3.4258 -3.4258 -0.9535 -0.9535 3.8665 3.8665 4.5535 4.5535 4.8346 4.8346 5.1857 5.1857 5.4087 5.4087 5.4980 5.4980 5.5493 5.5493 5.7562 5.7562 5.8069 5.8069 5.8439 5.8439 5.9428 5.9428 6.5613 6.5613 6.6832 6.6832 7.4748 7.4748 7.7960 7.7960 8.0340 8.0340 8.9039 8.9039 10.0360 10.0360 11.7227 11.7227 13.0054 13.0054 k = 0.0446 0.0446 0.3182 ( 5194 PWs) bands (ev): -67.4457 -67.4457 -67.4335 -67.4335 -34.4145 -34.4145 -34.3728 -34.3728 -34.1535 -34.1535 -34.0909 -34.0909 -34.0879 -34.0879 -34.0860 -34.0860 -3.4402 -3.4402 -0.9596 -0.9596 3.9366 3.9366 4.5511 4.5511 4.8592 4.8592 5.1297 5.1297 5.4089 5.4089 5.4963 5.4963 5.5424 5.5424 5.7545 5.7545 5.8037 5.8037 5.8400 5.8400 5.9503 5.9503 6.5652 6.5652 6.6852 6.6852 7.5035 7.5035 7.8521 7.8521 8.0678 8.0678 8.8594 8.8594 9.9184 9.9184 11.6690 11.6690 13.0575 13.0575 k = 0.0357 0.0357 0.3182 ( 5200 PWs) bands (ev): -67.4457 -67.4457 -67.4334 -67.4334 -34.4147 -34.4147 -34.3726 -34.3726 -34.1537 -34.1537 -34.0909 -34.0909 -34.0876 -34.0876 -34.0860 -34.0860 -3.4519 -3.4519 -0.9647 -0.9647 4.0024 4.0024 4.5489 4.5489 4.8780 4.8780 5.0749 5.0749 5.4093 5.4093 5.4949 5.4949 5.5373 5.5373 5.7531 5.7531 5.8016 5.8016 5.8367 5.8367 5.9563 5.9563 6.5684 6.5684 6.6883 6.6883 7.5201 7.5201 7.9116 7.9116 8.1000 8.1000 8.8226 8.8226 9.8101 9.8101 11.6246 11.6246 13.1012 13.1012 k = 0.0268 0.0268 0.3182 ( 5208 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4148 -34.4148 -34.3726 -34.3726 -34.1539 -34.1539 -34.0909 -34.0909 -34.0874 -34.0874 -34.0860 -34.0860 -3.4611 -3.4611 -0.9687 -0.9687 4.0611 4.0611 4.5472 4.5472 4.8895 4.8895 5.0271 5.0271 5.4096 5.4096 5.4937 5.4937 5.5337 5.5337 5.7519 5.7519 5.8001 5.8001 5.8341 5.8341 5.9610 5.9610 6.5711 6.5711 6.6915 6.6915 7.5293 7.5293 7.9647 7.9647 8.1315 8.1315 8.7938 8.7938 9.7160 9.7160 11.5896 11.5896 13.1334 13.1334 k = 0.0179 0.0179 0.3182 ( 5220 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4149 -34.4149 -34.3725 -34.3725 -34.1540 -34.1540 -34.0909 -34.0909 -34.0872 -34.0872 -34.0860 -34.0860 -3.4677 -3.4677 -0.9716 -0.9716 4.1087 4.1087 4.5459 4.5459 4.8913 4.8913 4.9930 4.9930 5.4099 5.4099 5.4928 5.4928 5.5313 5.5313 5.7511 5.7511 5.7992 5.7992 5.8322 5.8322 5.9643 5.9643 6.5730 6.5730 6.6942 6.6942 7.5343 7.5343 8.0039 8.0039 8.1608 8.1608 8.7732 8.7732 9.6420 9.6420 11.5644 11.5644 13.1453 13.1453 k = 0.0089 0.0089 0.3182 ( 5212 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4716 -3.4716 -0.9733 -0.9733 4.1403 4.1403 4.5450 4.5450 4.8854 4.8854 4.9765 4.9765 5.4101 5.4101 5.4923 5.4923 5.5298 5.5298 5.7505 5.7505 5.7987 5.7987 5.8311 5.8311 5.9662 5.9662 6.5743 6.5743 6.6960 6.6960 7.5367 7.5367 8.0267 8.0267 8.1830 8.1830 8.7608 8.7608 9.5942 9.5942 11.5492 11.5492 13.1437 13.1437 k = 0.0000 0.0000 0.3182 ( 5214 PWs) bands (ev): -67.4458 -67.4458 -67.4334 -67.4334 -34.4150 -34.4150 -34.3724 -34.3724 -34.1541 -34.1541 -34.0909 -34.0909 -34.0871 -34.0871 -34.0860 -34.0860 -3.4729 -3.4729 -0.9739 -0.9739 4.1515 4.1515 4.5448 4.5448 4.8814 4.8814 4.9723 4.9723 5.4101 5.4101 5.4921 5.4921 5.5294 5.5294 5.7504 5.7504 5.7986 5.7986 5.8307 5.8307 5.9669 5.9669 6.5747 6.5747 6.6966 6.6966 7.5374 7.5374 8.0340 8.0340 8.1914 8.1914 8.7566 8.7566 9.5776 9.5776 11.5442 11.5442 13.1424 13.1424 k = 0.0000 0.5000-0.0000 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7549 -1.7549 -1.7549 -1.7549 3.3599 3.3599 3.3599 3.3599 5.2336 5.2336 5.2336 5.2336 5.3855 5.3855 5.3855 5.3855 5.6209 5.6209 5.6209 5.6209 5.7749 5.7749 5.7749 5.7749 5.8921 5.8921 5.8921 5.8921 6.2575 6.2575 6.2575 6.2575 7.6200 7.6200 7.6200 7.6200 10.2736 10.2736 10.2736 10.2736 12.7926 12.7926 12.7926 12.7926 k = 0.0000 0.5000 0.0127 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7546 -1.7546 -1.7546 -1.7546 3.3559 3.3559 3.3559 3.3559 5.2347 5.2347 5.2347 5.2347 5.3851 5.3851 5.3851 5.3851 5.6215 5.6215 5.6215 5.6215 5.7753 5.7753 5.7753 5.7753 5.8933 5.8933 5.8933 5.8933 6.2617 6.2617 6.2617 6.2617 7.6202 7.6202 7.6202 7.6202 10.2735 10.2735 10.2735 10.2735 12.7895 12.7895 12.7895 12.7895 k = 0.0000 0.5000 0.0255 ( 5224 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7538 -1.7538 -1.7538 -1.7538 3.3438 3.3438 3.3438 3.3438 5.2379 5.2379 5.2379 5.2379 5.3841 5.3841 5.3841 5.3841 5.6232 5.6232 5.6232 5.6232 5.7766 5.7766 5.7766 5.7766 5.8966 5.8966 5.8966 5.8966 6.2744 6.2744 6.2744 6.2744 7.6209 7.6209 7.6209 7.6209 10.2732 10.2732 10.2732 10.2732 12.7803 12.7803 12.7803 12.7803 k = 0.0000 0.5000 0.0382 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7524 -1.7524 -1.7524 -1.7524 3.3243 3.3243 3.3243 3.3243 5.2428 5.2428 5.2428 5.2428 5.3824 5.3824 5.3824 5.3824 5.6261 5.6261 5.6261 5.6261 5.7787 5.7787 5.7787 5.7787 5.9017 5.9017 5.9017 5.9017 6.2961 6.2961 6.2961 6.2961 7.6220 7.6220 7.6220 7.6220 10.2725 10.2725 10.2725 10.2725 12.7650 12.7650 12.7650 12.7650 k = 0.0000 0.5000 0.0509 ( 5232 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7506 -1.7506 -1.7506 -1.7506 3.2980 3.2980 3.2980 3.2980 5.2486 5.2486 5.2486 5.2486 5.3801 5.3801 5.3801 5.3801 5.6302 5.6302 5.6302 5.6302 5.7815 5.7815 5.7815 5.7815 5.9080 5.9080 5.9080 5.9080 6.3270 6.3270 6.3270 6.3270 7.6236 7.6236 7.6236 7.6236 10.2716 10.2716 10.2716 10.2716 12.7439 12.7439 12.7439 12.7439 k = 0.0000 0.5000 0.0636 ( 5236 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7482 -1.7482 -1.7482 -1.7482 3.2659 3.2659 3.2659 3.2659 5.2547 5.2547 5.2547 5.2547 5.3772 5.3772 5.3772 5.3772 5.6354 5.6354 5.6354 5.6354 5.7849 5.7849 5.7849 5.7849 5.9151 5.9151 5.9151 5.9151 6.3676 6.3676 6.3676 6.3676 7.6255 7.6255 7.6255 7.6255 10.2702 10.2702 10.2702 10.2702 12.7173 12.7173 12.7173 12.7173 k = 0.0000 0.5000 0.0764 ( 5236 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7454 -1.7454 -1.7454 -1.7454 3.2291 3.2291 3.2291 3.2291 5.2605 5.2605 5.2605 5.2605 5.3738 5.3738 5.3738 5.3738 5.6415 5.6415 5.6415 5.6415 5.7888 5.7888 5.7888 5.7888 5.9225 5.9225 5.9225 5.9225 6.4181 6.4181 6.4181 6.4181 7.6279 7.6279 7.6279 7.6279 10.2684 10.2684 10.2684 10.2684 12.6855 12.6855 12.6855 12.6855 k = 0.0000 0.5000 0.0891 ( 5244 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7421 -1.7421 -1.7421 -1.7421 3.1885 3.1885 3.1885 3.1885 5.2654 5.2654 5.2654 5.2654 5.3699 5.3699 5.3699 5.3699 5.6484 5.6484 5.6484 5.6484 5.7931 5.7931 5.7931 5.7931 5.9296 5.9296 5.9296 5.9296 6.4781 6.4781 6.4781 6.4781 7.6306 7.6306 7.6306 7.6306 10.2661 10.2661 10.2661 10.2661 12.6488 12.6488 12.6488 12.6488 k = 0.0000 0.5000 0.1018 ( 5244 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7385 -1.7385 -1.7385 -1.7385 3.1453 3.1453 3.1453 3.1453 5.2692 5.2692 5.2692 5.2692 5.3657 5.3657 5.3657 5.3657 5.6559 5.6559 5.6559 5.6559 5.7977 5.7977 5.7977 5.7977 5.9364 5.9364 5.9364 5.9364 6.5471 6.5471 6.5471 6.5471 7.6336 7.6336 7.6336 7.6336 10.2630 10.2630 10.2630 10.2630 12.6076 12.6076 12.6076 12.6076 k = 0.0000 0.5000 0.1145 ( 5252 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7346 -1.7346 -1.7346 -1.7346 3.1004 3.1004 3.1004 3.1004 5.2719 5.2719 5.2719 5.2719 5.3613 5.3613 5.3613 5.3613 5.6638 5.6638 5.6638 5.6638 5.8024 5.8024 5.8024 5.8024 5.9426 5.9426 5.9426 5.9426 6.6245 6.6245 6.6245 6.6245 7.6370 7.6370 7.6370 7.6370 10.2592 10.2592 10.2592 10.2592 12.5621 12.5621 12.5621 12.5621 k = 0.0000 0.5000 0.1273 ( 5248 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7304 -1.7304 -1.7304 -1.7304 3.0545 3.0545 3.0545 3.0545 5.2734 5.2734 5.2734 5.2734 5.3567 5.3567 5.3567 5.3567 5.6719 5.6719 5.6719 5.6719 5.8073 5.8073 5.8073 5.8073 5.9484 5.9484 5.9484 5.9484 6.7090 6.7090 6.7090 6.7090 7.6405 7.6405 7.6405 7.6405 10.2543 10.2543 10.2543 10.2543 12.5127 12.5127 12.5127 12.5127 k = 0.0000 0.5000 0.1400 ( 5244 PWs) bands (ev): -67.4396 -67.4396 -67.4396 -67.4396 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7260 -1.7260 -1.7260 -1.7260 3.0087 3.0087 3.0087 3.0087 5.2739 5.2739 5.2739 5.2739 5.3521 5.3521 5.3521 5.3521 5.6800 5.6800 5.6800 5.6800 5.8122 5.8122 5.8122 5.8122 5.9536 5.9536 5.9536 5.9536 6.7996 6.7996 6.7996 6.7996 7.6444 7.6444 7.6444 7.6444 10.2482 10.2482 10.2482 10.2482 12.4596 12.4596 12.4596 12.4596 k = 0.0000 0.5000 0.1527 ( 5238 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7214 -1.7214 -1.7214 -1.7214 2.9635 2.9635 2.9635 2.9635 5.2735 5.2735 5.2735 5.2735 5.3474 5.3474 5.3474 5.3474 5.6880 5.6880 5.6880 5.6880 5.8171 5.8171 5.8171 5.8171 5.9584 5.9584 5.9584 5.9584 6.8951 6.8951 6.8951 6.8951 7.6483 7.6483 7.6483 7.6483 10.2408 10.2408 10.2408 10.2408 12.4032 12.4032 12.4032 12.4032 k = 0.0000 0.5000 0.1654 ( 5242 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7168 -1.7168 -1.7168 -1.7168 2.9195 2.9195 2.9195 2.9195 5.2725 5.2725 5.2725 5.2725 5.3429 5.3429 5.3429 5.3429 5.6956 5.6956 5.6956 5.6956 5.8218 5.8218 5.8218 5.8218 5.9628 5.9628 5.9628 5.9628 6.9941 6.9941 6.9941 6.9941 7.6525 7.6525 7.6525 7.6525 10.2318 10.2318 10.2318 10.2318 12.3438 12.3438 12.3438 12.3438 k = 0.0000 0.5000 0.1782 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7123 -1.7123 -1.7123 -1.7123 2.8773 2.8773 2.8773 2.8773 5.2709 5.2709 5.2709 5.2709 5.3385 5.3385 5.3385 5.3385 5.7029 5.7029 5.7029 5.7029 5.8264 5.8264 5.8264 5.8264 5.9669 5.9669 5.9669 5.9669 7.0953 7.0953 7.0953 7.0953 7.6568 7.6568 7.6568 7.6568 10.2210 10.2210 10.2210 10.2210 12.2820 12.2820 12.2820 12.2820 k = 0.0000 0.5000 0.1909 ( 5238 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.7078 -1.7078 -1.7078 -1.7078 2.8374 2.8374 2.8374 2.8374 5.2690 5.2690 5.2690 5.2690 5.3343 5.3343 5.3343 5.3343 5.7098 5.7098 5.7098 5.7098 5.8307 5.8307 5.8307 5.8307 5.9706 5.9706 5.9706 5.9706 7.1971 7.1971 7.1971 7.1971 7.6612 7.6612 7.6612 7.6612 10.2083 10.2083 10.2083 10.2083 12.2184 12.2184 12.2184 12.2184 k = 0.0000 0.5000 0.2036 ( 5222 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.7034 -1.7034 -1.7034 -1.7034 2.8001 2.8001 2.8001 2.8001 5.2668 5.2668 5.2668 5.2668 5.3304 5.3304 5.3304 5.3304 5.7161 5.7161 5.7161 5.7161 5.8348 5.8348 5.8348 5.8348 5.9740 5.9740 5.9740 5.9740 7.2980 7.2980 7.2980 7.2980 7.6660 7.6660 7.6660 7.6660 10.1936 10.1936 10.1936 10.1936 12.1539 12.1539 12.1539 12.1539 k = 0.0000 0.5000 0.2164 ( 5230 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.6993 -1.6993 -1.6993 -1.6993 2.7659 2.7659 2.7659 2.7659 5.2646 5.2646 5.2646 5.2646 5.3268 5.3268 5.3268 5.3268 5.7218 5.7218 5.7218 5.7218 5.8385 5.8385 5.8385 5.8385 5.9770 5.9770 5.9770 5.9770 7.3958 7.3958 7.3958 7.3958 7.6714 7.6714 7.6714 7.6714 10.1770 10.1770 10.1770 10.1770 12.0899 12.0899 12.0899 12.0899 k = 0.0000 0.5000 0.2291 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6955 -1.6955 -1.6955 -1.6955 2.7350 2.7350 2.7350 2.7350 5.2625 5.2625 5.2625 5.2625 5.3236 5.3236 5.3236 5.3236 5.7269 5.7269 5.7269 5.7269 5.8419 5.8419 5.8419 5.8419 5.9797 5.9797 5.9797 5.9797 7.4879 7.4879 7.4879 7.4879 7.6783 7.6783 7.6783 7.6783 10.1586 10.1586 10.1586 10.1586 12.0277 12.0277 12.0277 12.0277 k = 0.0000 0.5000 0.2418 ( 5218 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6920 -1.6920 -1.6920 -1.6920 2.7077 2.7077 2.7077 2.7077 5.2604 5.2604 5.2604 5.2604 5.3207 5.3207 5.3207 5.3207 5.7314 5.7314 5.7314 5.7314 5.8449 5.8449 5.8449 5.8449 5.9822 5.9822 5.9822 5.9822 7.5689 7.5689 7.5689 7.5689 7.6901 7.6901 7.6901 7.6901 10.1390 10.1390 10.1390 10.1390 11.9692 11.9692 11.9692 11.9692 k = 0.0000 0.5000 0.2545 ( 5226 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6890 -1.6890 -1.6890 -1.6890 2.6843 2.6843 2.6843 2.6843 5.2585 5.2585 5.2585 5.2585 5.3182 5.3182 5.3182 5.3182 5.7352 5.7352 5.7352 5.7352 5.8475 5.8475 5.8475 5.8475 5.9842 5.9842 5.9842 5.9842 7.6263 7.6263 7.6263 7.6263 7.7170 7.7170 7.7170 7.7170 10.1190 10.1190 10.1190 10.1190 11.9161 11.9161 11.9161 11.9161 k = 0.0000 0.5000 0.2673 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6865 -1.6865 -1.6865 -1.6865 2.6648 2.6648 2.6648 2.6648 5.2569 5.2569 5.2569 5.2569 5.3162 5.3162 5.3162 5.3162 5.7384 5.7384 5.7384 5.7384 5.8496 5.8496 5.8496 5.8496 5.9859 5.9859 5.9859 5.9859 7.6516 7.6516 7.6516 7.6516 7.7653 7.7653 7.7653 7.7653 10.0996 10.0996 10.0996 10.0996 11.8700 11.8700 11.8700 11.8700 k = 0.0000 0.5000 0.2800 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6844 -1.6844 -1.6844 -1.6844 2.6496 2.6496 2.6496 2.6496 5.2556 5.2556 5.2556 5.2556 5.3146 5.3146 5.3146 5.3146 5.7408 5.7408 5.7408 5.7408 5.8513 5.8513 5.8513 5.8513 5.9873 5.9873 5.9873 5.9873 7.6613 7.6613 7.6613 7.6613 7.8162 7.8162 7.8162 7.8162 10.0823 10.0823 10.0823 10.0823 11.8326 11.8326 11.8326 11.8326 k = 0.0000 0.5000 0.2927 ( 5234 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1219 -34.1219 -34.1219 -34.1219 -34.0900 -34.0900 -34.0900 -34.0900 -1.6829 -1.6829 -1.6829 -1.6829 2.6386 2.6386 2.6386 2.6386 5.2546 5.2546 5.2546 5.2546 5.3134 5.3134 5.3134 5.3134 5.7426 5.7426 5.7426 5.7426 5.8525 5.8525 5.8525 5.8525 5.9883 5.9883 5.9883 5.9883 7.6657 7.6657 7.6657 7.6657 7.8570 7.8570 7.8570 7.8570 10.0685 10.0685 10.0685 10.0685 11.8049 11.8049 11.8049 11.8049 k = 0.0000 0.5000 0.3054 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.6820 -1.6820 -1.6820 -1.6820 2.6320 2.6320 2.6320 2.6320 5.2541 5.2541 5.2541 5.2541 5.3127 5.3127 5.3127 5.3127 5.7436 5.7436 5.7436 5.7436 5.8532 5.8532 5.8532 5.8532 5.9889 5.9889 5.9889 5.9889 7.6678 7.6678 7.6678 7.6678 7.8828 7.8828 7.8828 7.8828 10.0596 10.0596 10.0596 10.0596 11.7880 11.7880 11.7880 11.7880 k = 0.0000 0.5000 0.3182 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3935 -34.3935 -34.3935 -34.3935 -34.1220 -34.1220 -34.1220 -34.1220 -34.0900 -34.0900 -34.0900 -34.0900 -1.6817 -1.6817 -1.6817 -1.6817 2.6297 2.6297 2.6297 2.6297 5.2539 5.2539 5.2539 5.2539 5.3125 5.3125 5.3125 5.3125 5.7440 5.7440 5.7440 5.7440 5.8535 5.8535 5.8535 5.8535 5.9891 5.9891 5.9891 5.9891 7.6685 7.6685 7.6685 7.6685 7.8917 7.8917 7.8917 7.8917 10.0565 10.0565 10.0565 10.0565 11.7823 11.7823 11.7823 11.7823 k = 0.5000 0.5000-0.0000 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8967 -0.8967 -0.8967 -0.8967 2.7761 2.7761 2.7761 2.7761 4.9981 4.9981 4.9981 4.9981 5.1401 5.1401 5.1401 5.1401 5.5859 5.5859 5.5859 5.5859 5.7903 5.7903 5.7903 5.7903 5.9386 5.9386 5.9386 5.9386 6.5221 6.5221 6.5221 6.5221 7.2511 7.2511 7.2511 7.2511 7.8302 7.8302 7.8302 7.8302 10.0763 10.0763 10.0763 10.0763 k = 0.5000 0.5000 0.0127 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8965 -0.8965 -0.8965 -0.8965 2.7763 2.7763 2.7763 2.7763 4.9986 4.9986 4.9986 4.9986 5.1345 5.1345 5.1345 5.1345 5.5859 5.5859 5.5859 5.5859 5.7915 5.7915 5.7915 5.7915 5.9388 5.9388 5.9388 5.9388 6.5229 6.5229 6.5229 6.5229 7.2466 7.2466 7.2466 7.2466 7.8377 7.8377 7.8377 7.8377 10.0836 10.0836 10.0836 10.0836 k = 0.5000 0.5000 0.0255 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8959 -0.8959 -0.8959 -0.8959 2.7766 2.7766 2.7766 2.7766 4.9999 4.9999 4.9999 4.9999 5.1183 5.1183 5.1183 5.1183 5.5860 5.5860 5.5860 5.5860 5.7950 5.7950 5.7950 5.7950 5.9395 5.9395 5.9395 5.9395 6.5253 6.5253 6.5253 6.5253 7.2333 7.2333 7.2333 7.2333 7.8602 7.8602 7.8602 7.8602 10.1054 10.1054 10.1054 10.1054 k = 0.5000 0.5000 0.0382 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8948 -0.8948 -0.8948 -0.8948 2.7772 2.7772 2.7772 2.7772 5.0018 5.0018 5.0018 5.0018 5.0929 5.0929 5.0929 5.0929 5.5863 5.5863 5.5863 5.5863 5.8001 5.8001 5.8001 5.8001 5.9407 5.9407 5.9407 5.9407 6.5289 6.5289 6.5289 6.5289 7.2117 7.2117 7.2117 7.2117 7.8973 7.8973 7.8973 7.8973 10.1413 10.1413 10.1413 10.1413 k = 0.5000 0.5000 0.0509 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8933 -0.8933 -0.8933 -0.8933 2.7781 2.7781 2.7781 2.7781 5.0025 5.0025 5.0025 5.0025 5.0614 5.0614 5.0614 5.0614 5.5869 5.5869 5.5869 5.5869 5.8062 5.8062 5.8062 5.8062 5.9421 5.9421 5.9421 5.9421 6.5335 6.5335 6.5335 6.5335 7.1823 7.1823 7.1823 7.1823 7.9485 7.9485 7.9485 7.9485 10.1906 10.1906 10.1906 10.1906 k = 0.5000 0.5000 0.0636 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0775 -34.0775 -34.0775 -34.0775 -0.8915 -0.8915 -0.8915 -0.8915 2.7791 2.7791 2.7791 2.7791 4.9925 4.9925 4.9925 4.9925 5.0351 5.0351 5.0351 5.0351 5.5878 5.5878 5.5878 5.5878 5.8125 5.8125 5.8125 5.8125 5.9439 5.9439 5.9439 5.9439 6.5387 6.5387 6.5387 6.5387 7.1462 7.1462 7.1462 7.1462 8.0133 8.0133 8.0133 8.0133 10.2523 10.2523 10.2523 10.2523 k = 0.5000 0.5000 0.0764 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8893 -0.8893 -0.8893 -0.8893 2.7803 2.7803 2.7803 2.7803 4.9570 4.9570 4.9570 4.9570 5.0304 5.0304 5.0304 5.0304 5.5891 5.5891 5.5891 5.5891 5.8187 5.8187 5.8187 5.8187 5.9457 5.9457 5.9457 5.9457 6.5441 6.5441 6.5441 6.5441 7.1043 7.1043 7.1043 7.1043 8.0908 8.0908 8.0908 8.0908 10.3255 10.3255 10.3255 10.3255 k = 0.5000 0.5000 0.0891 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8867 -0.8867 -0.8867 -0.8867 2.7817 2.7817 2.7817 2.7817 4.9096 4.9096 4.9096 4.9096 5.0352 5.0352 5.0352 5.0352 5.5908 5.5908 5.5908 5.5908 5.8244 5.8244 5.8244 5.8244 5.9477 5.9477 5.9477 5.9477 6.5494 6.5494 6.5494 6.5494 7.0576 7.0576 7.0576 7.0576 8.1801 8.1801 8.1801 8.1801 10.4094 10.4094 10.4094 10.4094 k = 0.5000 0.5000 0.1018 ( 5216 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8839 -0.8839 -0.8839 -0.8839 2.7833 2.7833 2.7833 2.7833 4.8580 4.8580 4.8580 4.8580 5.0429 5.0429 5.0429 5.0429 5.5931 5.5931 5.5931 5.5931 5.8296 5.8296 5.8296 5.8296 5.9496 5.9496 5.9496 5.9496 6.5543 6.5543 6.5543 6.5543 7.0071 7.0071 7.0071 7.0071 8.2803 8.2803 8.2803 8.2803 10.5027 10.5027 10.5027 10.5027 k = 0.5000 0.5000 0.1145 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8809 -0.8809 -0.8809 -0.8809 2.7850 2.7850 2.7850 2.7850 4.8049 4.8049 4.8049 4.8049 5.0521 5.0521 5.0521 5.0521 5.5958 5.5958 5.5958 5.5958 5.8341 5.8341 5.8341 5.8341 5.9514 5.9514 5.9514 5.9514 6.5586 6.5586 6.5586 6.5586 6.9540 6.9540 6.9540 6.9540 8.3905 8.3905 8.3905 8.3905 10.6047 10.6047 10.6047 10.6047 k = 0.5000 0.5000 0.1273 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8776 -0.8776 -0.8776 -0.8776 2.7868 2.7868 2.7868 2.7868 4.7513 4.7513 4.7513 4.7513 5.0625 5.0625 5.0625 5.0625 5.5992 5.5992 5.5992 5.5992 5.8380 5.8380 5.8380 5.8380 5.9531 5.9531 5.9531 5.9531 6.5620 6.5620 6.5620 6.5620 6.8991 6.8991 6.8991 6.8991 8.5097 8.5097 8.5097 8.5097 10.7145 10.7145 10.7145 10.7145 k = 0.5000 0.5000 0.1400 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8742 -0.8742 -0.8742 -0.8742 2.7887 2.7887 2.7887 2.7887 4.6984 4.6984 4.6984 4.6984 5.0737 5.0737 5.0737 5.0737 5.6032 5.6032 5.6032 5.6032 5.8414 5.8414 5.8414 5.8414 5.9546 5.9546 5.9546 5.9546 6.5644 6.5644 6.5644 6.5644 6.8435 6.8435 6.8435 6.8435 8.6371 8.6371 8.6371 8.6371 10.8313 10.8313 10.8313 10.8313 k = 0.5000 0.5000 0.1527 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8707 -0.8707 -0.8707 -0.8707 2.7907 2.7907 2.7907 2.7907 4.6468 4.6468 4.6468 4.6468 5.0856 5.0856 5.0856 5.0856 5.6078 5.6078 5.6078 5.6078 5.8445 5.8445 5.8445 5.8445 5.9558 5.9558 5.9558 5.9558 6.5650 6.5650 6.5650 6.5650 6.7885 6.7885 6.7885 6.7885 8.7718 8.7718 8.7718 8.7718 10.9542 10.9542 10.9542 10.9542 k = 0.5000 0.5000 0.1654 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8671 -0.8671 -0.8671 -0.8671 2.7926 2.7926 2.7926 2.7926 4.5971 4.5971 4.5971 4.5971 5.0980 5.0980 5.0980 5.0980 5.6132 5.6132 5.6132 5.6132 5.8472 5.8472 5.8472 5.8472 5.9569 5.9569 5.9569 5.9569 6.5630 6.5630 6.5630 6.5630 6.7359 6.7359 6.7359 6.7359 8.9131 8.9131 8.9131 8.9131 11.0828 11.0828 11.0828 11.0828 k = 0.5000 0.5000 0.1782 ( 5204 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8636 -0.8636 -0.8636 -0.8636 2.7945 2.7945 2.7945 2.7945 4.5499 4.5499 4.5499 4.5499 5.1107 5.1107 5.1107 5.1107 5.6193 5.6193 5.6193 5.6193 5.8497 5.8497 5.8497 5.8497 5.9576 5.9576 5.9576 5.9576 6.5558 6.5558 6.5558 6.5558 6.6886 6.6886 6.6886 6.6886 9.0600 9.0600 9.0600 9.0600 11.2163 11.2163 11.2163 11.2163 k = 0.5000 0.5000 0.1909 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8602 -0.8602 -0.8602 -0.8602 2.7964 2.7964 2.7964 2.7964 4.5055 4.5055 4.5055 4.5055 5.1234 5.1234 5.1234 5.1234 5.6262 5.6262 5.6262 5.6262 5.8520 5.8520 5.8520 5.8520 5.9581 5.9581 5.9581 5.9581 6.5389 6.5389 6.5389 6.5389 6.6519 6.6519 6.6519 6.6519 9.2118 9.2118 9.2118 9.2118 11.3541 11.3541 11.3541 11.3541 k = 0.5000 0.5000 0.2036 ( 5236 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8568 -0.8568 -0.8568 -0.8568 2.7983 2.7983 2.7983 2.7983 4.4644 4.4644 4.4644 4.4644 5.1360 5.1360 5.1360 5.1360 5.6339 5.6339 5.6339 5.6339 5.8542 5.8542 5.8542 5.8542 5.9582 5.9582 5.9582 5.9582 6.5088 6.5088 6.5088 6.5088 6.6299 6.6299 6.6299 6.6299 9.3676 9.3676 9.3676 9.3676 11.4956 11.4956 11.4956 11.4956 k = 0.5000 0.5000 0.2164 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8537 -0.8537 -0.8537 -0.8537 2.8000 2.8000 2.8000 2.8000 4.4270 4.4270 4.4270 4.4270 5.1482 5.1482 5.1482 5.1482 5.6423 5.6423 5.6423 5.6423 5.8565 5.8565 5.8565 5.8565 5.9580 5.9580 5.9580 5.9580 6.4696 6.4696 6.4696 6.4696 6.6194 6.6194 6.6194 6.6194 9.5263 9.5263 9.5263 9.5263 11.6400 11.6400 11.6400 11.6400 k = 0.5000 0.5000 0.2291 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8507 -0.8507 -0.8507 -0.8507 2.8016 2.8016 2.8016 2.8016 4.3933 4.3933 4.3933 4.3933 5.1597 5.1597 5.1597 5.1597 5.6514 5.6514 5.6514 5.6514 5.8589 5.8589 5.8589 5.8589 5.9575 5.9575 5.9575 5.9575 6.4274 6.4274 6.4274 6.4274 6.6145 6.6145 6.6145 6.6145 9.6868 9.6868 9.6868 9.6868 11.7865 11.7865 11.7865 11.7865 k = 0.5000 0.5000 0.2418 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8481 -0.8481 -0.8481 -0.8481 2.8030 2.8030 2.8030 2.8030 4.3637 4.3637 4.3637 4.3637 5.1703 5.1703 5.1703 5.1703 5.6608 5.6608 5.6608 5.6608 5.8614 5.8614 5.8614 5.8614 5.9565 5.9565 5.9565 5.9565 6.3863 6.3863 6.3863 6.3863 6.6121 6.6121 6.6121 6.6121 9.8473 9.8473 9.8473 9.8473 11.9340 11.9340 11.9340 11.9340 k = 0.5000 0.5000 0.2545 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8458 -0.8458 -0.8458 -0.8458 2.8043 2.8043 2.8043 2.8043 4.3383 4.3383 4.3383 4.3383 5.1798 5.1798 5.1798 5.1798 5.6703 5.6703 5.6703 5.6703 5.8641 5.8641 5.8641 5.8641 5.9552 5.9552 5.9552 5.9552 6.3482 6.3482 6.3482 6.3482 6.6110 6.6110 6.6110 6.6110 10.0052 10.0052 10.0052 10.0052 12.0807 12.0807 12.0807 12.0807 k = 0.5000 0.5000 0.2673 ( 5220 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8438 -0.8438 -0.8438 -0.8438 2.8053 2.8053 2.8053 2.8053 4.3174 4.3174 4.3174 4.3174 5.1878 5.1878 5.1878 5.1878 5.6793 5.6793 5.6793 5.6793 5.8671 5.8671 5.8671 5.8671 5.9534 5.9534 5.9534 5.9534 6.3149 6.3149 6.3149 6.3149 6.6104 6.6104 6.6104 6.6104 10.1569 10.1569 10.1569 10.1569 12.2216 12.2216 12.2216 12.2216 k = 0.5000 0.5000 0.2800 ( 5240 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8423 -0.8423 -0.8423 -0.8423 2.8061 2.8061 2.8061 2.8061 4.3010 4.3010 4.3010 4.3010 5.1943 5.1943 5.1943 5.1943 5.6873 5.6873 5.6873 5.6873 5.8700 5.8700 5.8700 5.8700 5.9513 5.9513 5.9513 5.9513 6.2873 6.2873 6.2873 6.2873 6.6101 6.6101 6.6101 6.6101 10.2963 10.2963 10.2963 10.2963 12.1456 12.1456 12.1456 12.1456 k = 0.5000 0.5000 0.2927 ( 5228 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8412 -0.8412 -0.8412 -0.8412 2.8068 2.8068 2.8068 2.8068 4.2892 4.2892 4.2892 4.2892 5.1990 5.1990 5.1990 5.1990 5.6937 5.6937 5.6937 5.6937 5.8727 5.8727 5.8727 5.8727 5.9493 5.9493 5.9493 5.9493 6.2667 6.2667 6.2667 6.2667 6.6100 6.6100 6.6100 6.6100 10.4136 10.4136 10.4136 10.4136 12.0121 12.0121 12.0121 12.0121 k = 0.5000 0.5000 0.3054 ( 5212 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8405 -0.8405 -0.8405 -0.8405 2.8071 2.8071 2.8071 2.8071 4.2821 4.2821 4.2821 4.2821 5.2019 5.2019 5.2019 5.2019 5.6978 5.6978 5.6978 5.6978 5.8747 5.8747 5.8747 5.8747 5.9478 5.9478 5.9478 5.9478 6.2540 6.2540 6.2540 6.2540 6.6100 6.6100 6.6100 6.6100 10.4948 10.4948 10.4948 10.4948 11.9210 11.9210 11.9210 11.9210 k = 0.5000 0.5000 0.3182 ( 5208 PWs) bands (ev): -67.4395 -67.4395 -67.4395 -67.4395 -34.3993 -34.3993 -34.3993 -34.3993 -34.1307 -34.1307 -34.1307 -34.1307 -34.0776 -34.0776 -34.0776 -34.0776 -0.8402 -0.8402 -0.8402 -0.8402 2.8073 2.8073 2.8073 2.8073 4.2797 4.2797 4.2797 4.2797 5.2029 5.2029 5.2029 5.2029 5.6992 5.6992 5.6992 5.6992 5.8755 5.8755 5.8755 5.8755 5.9472 5.9472 5.9472 5.9472 6.2497 6.2497 6.2497 6.2497 6.6100 6.6100 6.6100 6.6100 10.5243 10.5243 10.5243 10.5243 11.8881 11.8881 11.8881 11.8881 Writing output data file MgCuGe.save init_run : 0.27s CPU 0.51s WALL ( 1 calls) electrons : 173.21s CPU 176.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 173.20s CPU 176.15s 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 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 356 calls) cegterg : 158.44s CPU 160.53s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 87.18s CPU 89.01s WALL ( 6572 calls) s_psi : 4.82s CPU 4.74s WALL ( 6572 calls) g_psi : 0.36s CPU 0.34s WALL ( 5813 calls) cdiaghg : 55.22s CPU 55.80s WALL ( 6169 calls) cegterg:over : 8.40s CPU 8.45s WALL ( 5813 calls) cegterg:upda : 7.27s CPU 7.31s WALL ( 5813 calls) cegterg:last : 4.05s CPU 4.01s WALL ( 1115 calls) cdiaghg:chol : 3.17s CPU 3.23s WALL ( 6169 calls) cdiaghg:inve : 2.21s CPU 2.16s WALL ( 6169 calls) cdiaghg:para : 3.60s CPU 3.61s WALL ( 12338 calls) Called by h_psi: h_psi:vloc : 75.80s CPU 77.28s WALL ( 6572 calls) h_psi:vnl : 11.09s CPU 11.40s WALL ( 6572 calls) add_vuspsi : 5.30s CPU 5.57s WALL ( 6572 calls) General routines calbec : 5.77s CPU 5.81s WALL ( 6572 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.28s CPU 71.80s WALL ( 875304 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.29s WALL ( 712 calls) Parallel routines fft_scatter : 26.30s CPU 27.19s WALL ( 875327 calls) PWSCF : 3m15.14s CPU 3m35.09s WALL This run was terminated on: 17:48:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=