Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:18:44 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: ./MgC2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 47 28 8 1863 882 140 Max 48 29 9 1867 903 147 Sum 1693 1041 301 67183 32127 5141 bravais-lattice index = 14 lattice parameter (alat) = 7.4346 a.u. unit-cell volume = 524.4446 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 7.434560 celldm(2)= 1.000000 celldm(3)= 1.276244 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 1.276244 ) 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 0.783549 ) PseudoPot. # 1 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. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6381221 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6381221 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6381221 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6381221 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6381221 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6381221 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6381221 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6381221 ) 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= 379 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0026385 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0026385 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0026385 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0026385 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0026385 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0026385 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0026385 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026385 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0026385 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0026385 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0026385 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026385 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0026385 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0026385 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0026385 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026385 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0026385 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0026385 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0026385 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026385 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0026385 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0026385 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0026385 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026385 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0026385 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0026385 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0026385 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026385 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0026385 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0026385 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0026385 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026385 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0026385 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0026385 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0026385 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026385 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0026385 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0026385 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0026385 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026385 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026385 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0026385 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0026385 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0026385 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026385 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0026385 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0026385 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0026385 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026385 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0026385 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026385 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0026385 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026385 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0026385 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0026385 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0026385 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026385 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0026385 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0026385 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0026385 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026385 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0026385 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0026385 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0026385 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026385 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0026385 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0026385 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0026385 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026385 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0026385 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026385 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0026385 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026385 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0026385 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0026385 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0026385 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026385 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0026385 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0026385 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0026385 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026385 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026385 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0026385 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0026385 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0026385 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0026385 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0026385 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0026385 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0026385 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0026385 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0026385 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0026385 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0026385 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0026385 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0026385 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0026385 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0026385 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0026385 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0026385 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0026385 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026385 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0026385 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0026385 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0026385 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0026385 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0026385 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0026385 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0026385 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0026385 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0026385 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0026385 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0026385 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0026385 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0026385 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0026385 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0026385 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0026385 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0026385 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0026385 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026385 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0026385 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0026385 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0026385 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0026385 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0026385 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0026385 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0026385 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0026385 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0026385 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0026385 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0026385 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0026385 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0026385 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0026385 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0026385 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0026385 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0026385 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0026385 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 142) = ( 0.0000000 0.0000000 0.0122430), wk = 0.0026385 k( 143) = ( 0.0000000 0.0000000 0.0244859), wk = 0.0026385 k( 144) = ( 0.0000000 0.0000000 0.0367289), wk = 0.0026385 k( 145) = ( 0.0000000 0.0000000 0.0489718), wk = 0.0026385 k( 146) = ( 0.0000000 0.0000000 0.0612148), wk = 0.0026385 k( 147) = ( 0.0000000 0.0000000 0.0734577), wk = 0.0026385 k( 148) = ( 0.0000000 0.0000000 0.0857007), wk = 0.0026385 k( 149) = ( 0.0000000 0.0000000 0.0979436), wk = 0.0026385 k( 150) = ( 0.0000000 0.0000000 0.1101866), wk = 0.0026385 k( 151) = ( 0.0000000 0.0000000 0.1224295), wk = 0.0026385 k( 152) = ( 0.0000000 0.0000000 0.1346725), wk = 0.0026385 k( 153) = ( 0.0000000 0.0000000 0.1469155), wk = 0.0026385 k( 154) = ( 0.0000000 0.0000000 0.1591584), wk = 0.0026385 k( 155) = ( 0.0000000 0.0000000 0.1714014), wk = 0.0026385 k( 156) = ( 0.0000000 0.0000000 0.1836443), wk = 0.0026385 k( 157) = ( 0.0000000 0.0000000 0.1958873), wk = 0.0026385 k( 158) = ( 0.0000000 0.0000000 0.2081302), wk = 0.0026385 k( 159) = ( 0.0000000 0.0000000 0.2203732), wk = 0.0026385 k( 160) = ( 0.0000000 0.0000000 0.2326161), wk = 0.0026385 k( 161) = ( 0.0000000 0.0000000 0.2448591), wk = 0.0026385 k( 162) = ( 0.0000000 0.0000000 0.2571020), wk = 0.0026385 k( 163) = ( 0.0000000 0.0000000 0.2693450), wk = 0.0026385 k( 164) = ( 0.0000000 0.0000000 0.2815880), wk = 0.0026385 k( 165) = ( 0.0000000 0.0000000 0.2938309), wk = 0.0026385 k( 166) = ( 0.0000000 0.0000000 0.3060739), wk = 0.0026385 k( 167) = ( 0.0000000 0.0000000 0.3183168), wk = 0.0026385 k( 168) = ( 0.0000000 0.0000000 0.3305598), wk = 0.0026385 k( 169) = ( 0.0000000 0.0000000 0.3428027), wk = 0.0026385 k( 170) = ( 0.0000000 0.0000000 0.3550457), wk = 0.0026385 k( 171) = ( 0.0000000 0.0000000 0.3672886), wk = 0.0026385 k( 172) = ( 0.0000000 0.0000000 0.3795316), wk = 0.0026385 k( 173) = ( 0.0000000 0.0000000 0.3917745), wk = 0.0026385 k( 174) = ( 0.0000000 0.0000000 0.3917745), wk = 0.0026385 k( 175) = ( 0.0000000 0.0125000 0.3917745), wk = 0.0026385 k( 176) = ( 0.0000000 0.0250000 0.3917745), wk = 0.0026385 k( 177) = ( 0.0000000 0.0375000 0.3917745), wk = 0.0026385 k( 178) = ( 0.0000000 0.0500000 0.3917745), wk = 0.0026385 k( 179) = ( 0.0000000 0.0625000 0.3917745), wk = 0.0026385 k( 180) = ( 0.0000000 0.0750000 0.3917745), wk = 0.0026385 k( 181) = ( 0.0000000 0.0875000 0.3917745), wk = 0.0026385 k( 182) = ( 0.0000000 0.1000000 0.3917745), wk = 0.0026385 k( 183) = ( 0.0000000 0.1125000 0.3917745), wk = 0.0026385 k( 184) = ( 0.0000000 0.1250000 0.3917745), wk = 0.0026385 k( 185) = ( 0.0000000 0.1375000 0.3917745), wk = 0.0026385 k( 186) = ( 0.0000000 0.1500000 0.3917745), wk = 0.0026385 k( 187) = ( 0.0000000 0.1625000 0.3917745), wk = 0.0026385 k( 188) = ( 0.0000000 0.1750000 0.3917745), wk = 0.0026385 k( 189) = ( 0.0000000 0.1875000 0.3917745), wk = 0.0026385 k( 190) = ( 0.0000000 0.2000000 0.3917745), wk = 0.0026385 k( 191) = ( 0.0000000 0.2125000 0.3917745), wk = 0.0026385 k( 192) = ( 0.0000000 0.2250000 0.3917745), wk = 0.0026385 k( 193) = ( 0.0000000 0.2375000 0.3917745), wk = 0.0026385 k( 194) = ( 0.0000000 0.2500000 0.3917745), wk = 0.0026385 k( 195) = ( 0.0000000 0.2625000 0.3917745), wk = 0.0026385 k( 196) = ( 0.0000000 0.2750000 0.3917745), wk = 0.0026385 k( 197) = ( 0.0000000 0.2875000 0.3917745), wk = 0.0026385 k( 198) = ( 0.0000000 0.3000000 0.3917745), wk = 0.0026385 k( 199) = ( 0.0000000 0.3125000 0.3917745), wk = 0.0026385 k( 200) = ( 0.0000000 0.3250000 0.3917745), wk = 0.0026385 k( 201) = ( 0.0000000 0.3375000 0.3917745), wk = 0.0026385 k( 202) = ( 0.0000000 0.3500000 0.3917745), wk = 0.0026385 k( 203) = ( 0.0000000 0.3625000 0.3917745), wk = 0.0026385 k( 204) = ( 0.0000000 0.3750000 0.3917745), wk = 0.0026385 k( 205) = ( 0.0000000 0.3875000 0.3917745), wk = 0.0026385 k( 206) = ( 0.0000000 0.4000000 0.3917745), wk = 0.0026385 k( 207) = ( 0.0000000 0.4125000 0.3917745), wk = 0.0026385 k( 208) = ( 0.0000000 0.4250000 0.3917745), wk = 0.0026385 k( 209) = ( 0.0000000 0.4375000 0.3917745), wk = 0.0026385 k( 210) = ( 0.0000000 0.4500000 0.3917745), wk = 0.0026385 k( 211) = ( 0.0000000 0.4625000 0.3917745), wk = 0.0026385 k( 212) = ( 0.0000000 0.4750000 0.3917745), wk = 0.0026385 k( 213) = ( 0.0000000 0.4875000 0.3917745), wk = 0.0026385 k( 214) = ( 0.0000000 0.5000000 0.3917745), wk = 0.0026385 k( 215) = ( 0.0000000 0.5000000 0.3917745), wk = 0.0026385 k( 216) = ( 0.0125000 0.5000000 0.3917745), wk = 0.0026385 k( 217) = ( 0.0250000 0.5000000 0.3917745), wk = 0.0026385 k( 218) = ( 0.0375000 0.5000000 0.3917745), wk = 0.0026385 k( 219) = ( 0.0500000 0.5000000 0.3917745), wk = 0.0026385 k( 220) = ( 0.0625000 0.5000000 0.3917745), wk = 0.0026385 k( 221) = ( 0.0750000 0.5000000 0.3917745), wk = 0.0026385 k( 222) = ( 0.0875000 0.5000000 0.3917745), wk = 0.0026385 k( 223) = ( 0.1000000 0.5000000 0.3917745), wk = 0.0026385 k( 224) = ( 0.1125000 0.5000000 0.3917745), wk = 0.0026385 k( 225) = ( 0.1250000 0.5000000 0.3917745), wk = 0.0026385 k( 226) = ( 0.1375000 0.5000000 0.3917745), wk = 0.0026385 k( 227) = ( 0.1500000 0.5000000 0.3917745), wk = 0.0026385 k( 228) = ( 0.1625000 0.5000000 0.3917745), wk = 0.0026385 k( 229) = ( 0.1750000 0.5000000 0.3917745), wk = 0.0026385 k( 230) = ( 0.1875000 0.5000000 0.3917745), wk = 0.0026385 k( 231) = ( 0.2000000 0.5000000 0.3917745), wk = 0.0026385 k( 232) = ( 0.2125000 0.5000000 0.3917745), wk = 0.0026385 k( 233) = ( 0.2250000 0.5000000 0.3917745), wk = 0.0026385 k( 234) = ( 0.2375000 0.5000000 0.3917745), wk = 0.0026385 k( 235) = ( 0.2500000 0.5000000 0.3917745), wk = 0.0026385 k( 236) = ( 0.2625000 0.5000000 0.3917745), wk = 0.0026385 k( 237) = ( 0.2750000 0.5000000 0.3917745), wk = 0.0026385 k( 238) = ( 0.2875000 0.5000000 0.3917745), wk = 0.0026385 k( 239) = ( 0.3000000 0.5000000 0.3917745), wk = 0.0026385 k( 240) = ( 0.3125000 0.5000000 0.3917745), wk = 0.0026385 k( 241) = ( 0.3250000 0.5000000 0.3917745), wk = 0.0026385 k( 242) = ( 0.3375000 0.5000000 0.3917745), wk = 0.0026385 k( 243) = ( 0.3500000 0.5000000 0.3917745), wk = 0.0026385 k( 244) = ( 0.3625000 0.5000000 0.3917745), wk = 0.0026385 k( 245) = ( 0.3750000 0.5000000 0.3917745), wk = 0.0026385 k( 246) = ( 0.3875000 0.5000000 0.3917745), wk = 0.0026385 k( 247) = ( 0.4000000 0.5000000 0.3917745), wk = 0.0026385 k( 248) = ( 0.4125000 0.5000000 0.3917745), wk = 0.0026385 k( 249) = ( 0.4250000 0.5000000 0.3917745), wk = 0.0026385 k( 250) = ( 0.4375000 0.5000000 0.3917745), wk = 0.0026385 k( 251) = ( 0.4500000 0.5000000 0.3917745), wk = 0.0026385 k( 252) = ( 0.4625000 0.5000000 0.3917745), wk = 0.0026385 k( 253) = ( 0.4750000 0.5000000 0.3917745), wk = 0.0026385 k( 254) = ( 0.4875000 0.5000000 0.3917745), wk = 0.0026385 k( 255) = ( 0.5000000 0.5000000 0.3917745), wk = 0.0026385 k( 256) = ( 0.5000000 0.5000000 0.3917745), wk = 0.0026385 k( 257) = ( 0.4912281 0.4912281 0.3917745), wk = 0.0026385 k( 258) = ( 0.4824561 0.4824561 0.3917745), wk = 0.0026385 k( 259) = ( 0.4736842 0.4736842 0.3917745), wk = 0.0026385 k( 260) = ( 0.4649123 0.4649123 0.3917745), wk = 0.0026385 k( 261) = ( 0.4561404 0.4561403 0.3917745), wk = 0.0026385 k( 262) = ( 0.4473684 0.4473684 0.3917745), wk = 0.0026385 k( 263) = ( 0.4385965 0.4385965 0.3917745), wk = 0.0026385 k( 264) = ( 0.4298246 0.4298246 0.3917745), wk = 0.0026385 k( 265) = ( 0.4210526 0.4210526 0.3917745), wk = 0.0026385 k( 266) = ( 0.4122807 0.4122807 0.3917745), wk = 0.0026385 k( 267) = ( 0.4035088 0.4035088 0.3917745), wk = 0.0026385 k( 268) = ( 0.3947368 0.3947368 0.3917745), wk = 0.0026385 k( 269) = ( 0.3859649 0.3859649 0.3917745), wk = 0.0026385 k( 270) = ( 0.3771930 0.3771930 0.3917745), wk = 0.0026385 k( 271) = ( 0.3684211 0.3684210 0.3917745), wk = 0.0026385 k( 272) = ( 0.3596491 0.3596491 0.3917745), wk = 0.0026385 k( 273) = ( 0.3508772 0.3508772 0.3917745), wk = 0.0026385 k( 274) = ( 0.3421053 0.3421053 0.3917745), wk = 0.0026385 k( 275) = ( 0.3333333 0.3333333 0.3917745), wk = 0.0026385 k( 276) = ( 0.3245614 0.3245614 0.3917745), wk = 0.0026385 k( 277) = ( 0.3157895 0.3157895 0.3917745), wk = 0.0026385 k( 278) = ( 0.3070175 0.3070175 0.3917745), wk = 0.0026385 k( 279) = ( 0.2982456 0.2982456 0.3917745), wk = 0.0026385 k( 280) = ( 0.2894737 0.2894737 0.3917745), wk = 0.0026385 k( 281) = ( 0.2807018 0.2807017 0.3917745), wk = 0.0026385 k( 282) = ( 0.2719298 0.2719298 0.3917745), wk = 0.0026385 k( 283) = ( 0.2631579 0.2631579 0.3917745), wk = 0.0026385 k( 284) = ( 0.2543860 0.2543860 0.3917745), wk = 0.0026385 k( 285) = ( 0.2456140 0.2456140 0.3917745), wk = 0.0026385 k( 286) = ( 0.2368421 0.2368421 0.3917745), wk = 0.0026385 k( 287) = ( 0.2280702 0.2280702 0.3917745), wk = 0.0026385 k( 288) = ( 0.2192983 0.2192982 0.3917745), wk = 0.0026385 k( 289) = ( 0.2105263 0.2105263 0.3917745), wk = 0.0026385 k( 290) = ( 0.2017544 0.2017544 0.3917745), wk = 0.0026385 k( 291) = ( 0.1929825 0.1929825 0.3917745), wk = 0.0026385 k( 292) = ( 0.1842105 0.1842105 0.3917745), wk = 0.0026385 k( 293) = ( 0.1754386 0.1754386 0.3917745), wk = 0.0026385 k( 294) = ( 0.1666667 0.1666667 0.3917745), wk = 0.0026385 k( 295) = ( 0.1578947 0.1578947 0.3917745), wk = 0.0026385 k( 296) = ( 0.1491228 0.1491228 0.3917745), wk = 0.0026385 k( 297) = ( 0.1403509 0.1403509 0.3917745), wk = 0.0026385 k( 298) = ( 0.1315790 0.1315790 0.3917745), wk = 0.0026385 k( 299) = ( 0.1228070 0.1228070 0.3917745), wk = 0.0026385 k( 300) = ( 0.1140351 0.1140351 0.3917745), wk = 0.0026385 k( 301) = ( 0.1052632 0.1052632 0.3917745), wk = 0.0026385 k( 302) = ( 0.0964912 0.0964912 0.3917745), wk = 0.0026385 k( 303) = ( 0.0877193 0.0877193 0.3917745), wk = 0.0026385 k( 304) = ( 0.0789474 0.0789474 0.3917745), wk = 0.0026385 k( 305) = ( 0.0701754 0.0701754 0.3917745), wk = 0.0026385 k( 306) = ( 0.0614035 0.0614035 0.3917745), wk = 0.0026385 k( 307) = ( 0.0526316 0.0526316 0.3917745), wk = 0.0026385 k( 308) = ( 0.0438597 0.0438596 0.3917745), wk = 0.0026385 k( 309) = ( 0.0350877 0.0350877 0.3917745), wk = 0.0026385 k( 310) = ( 0.0263158 0.0263158 0.3917745), wk = 0.0026385 k( 311) = ( 0.0175439 0.0175439 0.3917745), wk = 0.0026385 k( 312) = ( 0.0087719 0.0087719 0.3917745), wk = 0.0026385 k( 313) = ( 0.0000000 0.0000000 0.3917745), wk = 0.0026385 k( 314) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026385 k( 315) = ( 0.0000000 0.5000000 0.0122430), wk = 0.0026385 k( 316) = ( 0.0000000 0.5000000 0.0244859), wk = 0.0026385 k( 317) = ( 0.0000000 0.5000000 0.0367289), wk = 0.0026385 k( 318) = ( 0.0000000 0.5000000 0.0489718), wk = 0.0026385 k( 319) = ( 0.0000000 0.5000000 0.0612148), wk = 0.0026385 k( 320) = ( 0.0000000 0.5000000 0.0734577), wk = 0.0026385 k( 321) = ( 0.0000000 0.5000000 0.0857007), wk = 0.0026385 k( 322) = ( 0.0000000 0.5000000 0.0979436), wk = 0.0026385 k( 323) = ( 0.0000000 0.5000000 0.1101866), wk = 0.0026385 k( 324) = ( 0.0000000 0.5000000 0.1224295), wk = 0.0026385 k( 325) = ( 0.0000000 0.5000000 0.1346725), wk = 0.0026385 k( 326) = ( 0.0000000 0.5000000 0.1469155), wk = 0.0026385 k( 327) = ( 0.0000000 0.5000000 0.1591584), wk = 0.0026385 k( 328) = ( 0.0000000 0.5000000 0.1714014), wk = 0.0026385 k( 329) = ( 0.0000000 0.5000000 0.1836443), wk = 0.0026385 k( 330) = ( 0.0000000 0.5000000 0.1958873), wk = 0.0026385 k( 331) = ( 0.0000000 0.5000000 0.2081302), wk = 0.0026385 k( 332) = ( 0.0000000 0.5000000 0.2203732), wk = 0.0026385 k( 333) = ( 0.0000000 0.5000000 0.2326161), wk = 0.0026385 k( 334) = ( 0.0000000 0.5000000 0.2448591), wk = 0.0026385 k( 335) = ( 0.0000000 0.5000000 0.2571020), wk = 0.0026385 k( 336) = ( 0.0000000 0.5000000 0.2693450), wk = 0.0026385 k( 337) = ( 0.0000000 0.5000000 0.2815880), wk = 0.0026385 k( 338) = ( 0.0000000 0.5000000 0.2938309), wk = 0.0026385 k( 339) = ( 0.0000000 0.5000000 0.3060739), wk = 0.0026385 k( 340) = ( 0.0000000 0.5000000 0.3183168), wk = 0.0026385 k( 341) = ( 0.0000000 0.5000000 0.3305598), wk = 0.0026385 k( 342) = ( 0.0000000 0.5000000 0.3428027), wk = 0.0026385 k( 343) = ( 0.0000000 0.5000000 0.3550457), wk = 0.0026385 k( 344) = ( 0.0000000 0.5000000 0.3672886), wk = 0.0026385 k( 345) = ( 0.0000000 0.5000000 0.3795316), wk = 0.0026385 k( 346) = ( 0.0000000 0.5000000 0.3917745), wk = 0.0026385 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026385 k( 348) = ( 0.5000000 0.5000000 0.0122430), wk = 0.0026385 k( 349) = ( 0.5000000 0.5000000 0.0244859), wk = 0.0026385 k( 350) = ( 0.5000000 0.5000000 0.0367289), wk = 0.0026385 k( 351) = ( 0.5000000 0.5000000 0.0489718), wk = 0.0026385 k( 352) = ( 0.5000000 0.5000000 0.0612148), wk = 0.0026385 k( 353) = ( 0.5000000 0.5000000 0.0734577), wk = 0.0026385 k( 354) = ( 0.5000000 0.5000000 0.0857007), wk = 0.0026385 k( 355) = ( 0.5000000 0.5000000 0.0979436), wk = 0.0026385 k( 356) = ( 0.5000000 0.5000000 0.1101866), wk = 0.0026385 k( 357) = ( 0.5000000 0.5000000 0.1224295), wk = 0.0026385 k( 358) = ( 0.5000000 0.5000000 0.1346725), wk = 0.0026385 k( 359) = ( 0.5000000 0.5000000 0.1469155), wk = 0.0026385 k( 360) = ( 0.5000000 0.5000000 0.1591584), wk = 0.0026385 k( 361) = ( 0.5000000 0.5000000 0.1714014), wk = 0.0026385 k( 362) = ( 0.5000000 0.5000000 0.1836443), wk = 0.0026385 k( 363) = ( 0.5000000 0.5000000 0.1958873), wk = 0.0026385 k( 364) = ( 0.5000000 0.5000000 0.2081302), wk = 0.0026385 k( 365) = ( 0.5000000 0.5000000 0.2203732), wk = 0.0026385 k( 366) = ( 0.5000000 0.5000000 0.2326161), wk = 0.0026385 k( 367) = ( 0.5000000 0.5000000 0.2448591), wk = 0.0026385 k( 368) = ( 0.5000000 0.5000000 0.2571020), wk = 0.0026385 k( 369) = ( 0.5000000 0.5000000 0.2693450), wk = 0.0026385 k( 370) = ( 0.5000000 0.5000000 0.2815880), wk = 0.0026385 k( 371) = ( 0.5000000 0.5000000 0.2938309), wk = 0.0026385 k( 372) = ( 0.5000000 0.5000000 0.3060739), wk = 0.0026385 k( 373) = ( 0.5000000 0.5000000 0.3183168), wk = 0.0026385 k( 374) = ( 0.5000000 0.5000000 0.3305598), wk = 0.0026385 k( 375) = ( 0.5000000 0.5000000 0.3428027), wk = 0.0026385 k( 376) = ( 0.5000000 0.5000000 0.3550457), wk = 0.0026385 k( 377) = ( 0.5000000 0.5000000 0.3672886), wk = 0.0026385 k( 378) = ( 0.5000000 0.5000000 0.3795316), wk = 0.0026385 k( 379) = ( 0.5000000 0.5000000 0.3917745), wk = 0.0026385 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0026385 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0026385 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0026385 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0026385 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0026385 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0026385 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0026385 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026385 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0026385 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0026385 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0026385 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026385 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0026385 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0026385 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0026385 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026385 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0026385 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0026385 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0026385 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026385 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0026385 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0026385 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0026385 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026385 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0026385 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0026385 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0026385 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026385 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0026385 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0026385 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0026385 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026385 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0026385 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0026385 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0026385 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026385 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0026385 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0026385 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0026385 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026385 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026385 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0026385 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0026385 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0026385 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0026385 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0026385 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0026385 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0026385 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026385 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0026385 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0026385 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0026385 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026385 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0026385 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0026385 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0026385 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026385 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0026385 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0026385 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0026385 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026385 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0026385 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0026385 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0026385 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026385 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0026385 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0026385 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0026385 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026385 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0026385 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026385 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0026385 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026385 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0026385 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0026385 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0026385 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026385 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0026385 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0026385 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0026385 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0026385 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0026385 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0026385 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0026385 k( 88) = ( 0.4561404 0.4561404 -0.0000000), wk = 0.0026385 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0026385 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0026385 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0026385 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0026385 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0026385 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0026385 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0026385 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0026385 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0026385 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0026385 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0026385 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0026385 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0026385 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026385 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0026385 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0026385 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0026385 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0026385 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0026385 k( 108) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0026385 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0026385 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0026385 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0026385 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0026385 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0026385 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0026385 k( 115) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0026385 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0026385 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0026385 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0026385 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0026385 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0026385 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026385 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0026385 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0026385 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0026385 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0026385 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0026385 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0026385 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0026385 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0026385 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0026385 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0026385 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0026385 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0026385 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0026385 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0026385 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0026385 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0026385 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0026385 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0026385 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 142) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0026385 k( 143) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0026385 k( 144) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0026385 k( 145) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026385 k( 146) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0026385 k( 147) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0026385 k( 148) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0026385 k( 149) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026385 k( 150) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0026385 k( 151) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0026385 k( 152) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0026385 k( 153) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026385 k( 154) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0026385 k( 155) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0026385 k( 156) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0026385 k( 157) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026385 k( 158) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0026385 k( 159) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0026385 k( 160) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0026385 k( 161) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026385 k( 162) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0026385 k( 163) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0026385 k( 164) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0026385 k( 165) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026385 k( 166) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0026385 k( 167) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0026385 k( 168) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0026385 k( 169) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026385 k( 170) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0026385 k( 171) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0026385 k( 172) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0026385 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 175) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0026385 k( 176) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0026385 k( 177) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0026385 k( 178) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0026385 k( 179) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0026385 k( 180) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0026385 k( 181) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0026385 k( 182) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0026385 k( 183) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0026385 k( 184) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0026385 k( 185) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0026385 k( 186) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0026385 k( 187) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0026385 k( 188) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0026385 k( 189) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0026385 k( 190) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0026385 k( 191) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0026385 k( 192) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0026385 k( 193) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0026385 k( 194) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026385 k( 195) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0026385 k( 196) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0026385 k( 197) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0026385 k( 198) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0026385 k( 199) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0026385 k( 200) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0026385 k( 201) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0026385 k( 202) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0026385 k( 203) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0026385 k( 204) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0026385 k( 205) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0026385 k( 206) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0026385 k( 207) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0026385 k( 208) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0026385 k( 209) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0026385 k( 210) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0026385 k( 211) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0026385 k( 212) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0026385 k( 213) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0026385 k( 214) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026385 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026385 k( 216) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0026385 k( 217) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0026385 k( 218) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0026385 k( 219) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0026385 k( 220) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0026385 k( 221) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0026385 k( 222) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0026385 k( 223) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026385 k( 224) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0026385 k( 225) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0026385 k( 226) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0026385 k( 227) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0026385 k( 228) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0026385 k( 229) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0026385 k( 230) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0026385 k( 231) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026385 k( 232) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0026385 k( 233) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0026385 k( 234) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0026385 k( 235) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026385 k( 236) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0026385 k( 237) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0026385 k( 238) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0026385 k( 239) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026385 k( 240) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0026385 k( 241) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0026385 k( 242) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0026385 k( 243) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0026385 k( 244) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0026385 k( 245) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0026385 k( 246) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0026385 k( 247) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026385 k( 248) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0026385 k( 249) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0026385 k( 250) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0026385 k( 251) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0026385 k( 252) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0026385 k( 253) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0026385 k( 254) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0026385 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026385 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026385 k( 257) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0026385 k( 258) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0026385 k( 259) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0026385 k( 260) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0026385 k( 261) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0026385 k( 262) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0026385 k( 263) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0026385 k( 264) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0026385 k( 265) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0026385 k( 266) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0026385 k( 267) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0026385 k( 268) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0026385 k( 269) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0026385 k( 270) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0026385 k( 271) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0026385 k( 272) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0026385 k( 273) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0026385 k( 274) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0026385 k( 275) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026385 k( 276) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0026385 k( 277) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0026385 k( 278) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0026385 k( 279) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0026385 k( 280) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0026385 k( 281) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0026385 k( 282) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0026385 k( 283) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0026385 k( 284) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0026385 k( 285) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0026385 k( 286) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0026385 k( 287) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0026385 k( 288) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0026385 k( 289) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0026385 k( 290) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0026385 k( 291) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0026385 k( 292) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0026385 k( 293) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0026385 k( 294) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026385 k( 295) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0026385 k( 296) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0026385 k( 297) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0026385 k( 298) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0026385 k( 299) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0026385 k( 300) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0026385 k( 301) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0026385 k( 302) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0026385 k( 303) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0026385 k( 304) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0026385 k( 305) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0026385 k( 306) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0026385 k( 307) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0026385 k( 308) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0026385 k( 309) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0026385 k( 310) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0026385 k( 311) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0026385 k( 312) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0026385 k( 313) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 314) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026385 k( 315) = ( 0.0000000 0.5000000 0.0156250), wk = 0.0026385 k( 316) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0026385 k( 317) = ( 0.0000000 0.5000000 0.0468750), wk = 0.0026385 k( 318) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0026385 k( 319) = ( 0.0000000 0.5000000 0.0781250), wk = 0.0026385 k( 320) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0026385 k( 321) = ( 0.0000000 0.5000000 0.1093750), wk = 0.0026385 k( 322) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026385 k( 323) = ( 0.0000000 0.5000000 0.1406250), wk = 0.0026385 k( 324) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0026385 k( 325) = ( 0.0000000 0.5000000 0.1718750), wk = 0.0026385 k( 326) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0026385 k( 327) = ( 0.0000000 0.5000000 0.2031250), wk = 0.0026385 k( 328) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0026385 k( 329) = ( 0.0000000 0.5000000 0.2343750), wk = 0.0026385 k( 330) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026385 k( 331) = ( 0.0000000 0.5000000 0.2656250), wk = 0.0026385 k( 332) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0026385 k( 333) = ( 0.0000000 0.5000000 0.2968750), wk = 0.0026385 k( 334) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0026385 k( 335) = ( 0.0000000 0.5000000 0.3281250), wk = 0.0026385 k( 336) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0026385 k( 337) = ( 0.0000000 0.5000000 0.3593750), wk = 0.0026385 k( 338) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026385 k( 339) = ( 0.0000000 0.5000000 0.3906250), wk = 0.0026385 k( 340) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0026385 k( 341) = ( 0.0000000 0.5000000 0.4218750), wk = 0.0026385 k( 342) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0026385 k( 343) = ( 0.0000000 0.5000000 0.4531250), wk = 0.0026385 k( 344) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0026385 k( 345) = ( 0.0000000 0.5000000 0.4843750), wk = 0.0026385 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026385 k( 347) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026385 k( 348) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0026385 k( 349) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0026385 k( 350) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0026385 k( 351) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0026385 k( 352) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0026385 k( 353) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0026385 k( 354) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0026385 k( 355) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026385 k( 356) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0026385 k( 357) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0026385 k( 358) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0026385 k( 359) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0026385 k( 360) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0026385 k( 361) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0026385 k( 362) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0026385 k( 363) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026385 k( 364) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0026385 k( 365) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0026385 k( 366) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0026385 k( 367) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0026385 k( 368) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0026385 k( 369) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0026385 k( 370) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0026385 k( 371) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026385 k( 372) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0026385 k( 373) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0026385 k( 374) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0026385 k( 375) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0026385 k( 376) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0026385 k( 377) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0026385 k( 378) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0026385 k( 379) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026385 Dense grid: 67183 G-vectors FFT dimensions: ( 48, 48, 60) Smooth grid: 32127 G-vectors FFT dimensions: ( 40, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 224, 44) NL pseudopotentials 0.14 Mb ( 112, 84) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1867) G-vector shells 0.01 Mb ( 923) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 224, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) Check: negative/imaginary core charge= -0.000017 0.000000 The potential is recalculated from file : ./MgC2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.7 secs Computing kpt #: 17 total cpu time spent up to now is 7.0 secs Computing kpt #: 18 total cpu time spent up to now is 7.2 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.6 secs Computing kpt #: 24 total cpu time spent up to now is 8.9 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.5 secs Computing kpt #: 27 total cpu time spent up to now is 9.8 secs Computing kpt #: 28 total cpu time spent up to now is 10.1 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 10.9 secs Computing kpt #: 32 total cpu time spent up to now is 11.2 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.7 secs Computing kpt #: 38 total cpu time spent up to now is 13.0 secs Computing kpt #: 39 total cpu time spent up to now is 13.3 secs Computing kpt #: 40 total cpu time spent up to now is 13.6 secs Computing kpt #: 41 total cpu time spent up to now is 13.9 secs Computing kpt #: 42 total cpu time spent up to now is 14.2 secs Computing kpt #: 43 total cpu time spent up to now is 14.5 secs Computing kpt #: 44 total cpu time spent up to now is 14.8 secs Computing kpt #: 45 total cpu time spent up to now is 15.0 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.6 secs Computing kpt #: 48 total cpu time spent up to now is 15.9 secs Computing kpt #: 49 total cpu time spent up to now is 16.2 secs Computing kpt #: 50 total cpu time spent up to now is 16.5 secs Computing kpt #: 51 total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.1 secs Computing kpt #: 53 total cpu time spent up to now is 17.4 secs Computing kpt #: 54 total cpu time spent up to now is 17.8 secs Computing kpt #: 55 total cpu time spent up to now is 18.1 secs Computing kpt #: 56 total cpu time spent up to now is 18.4 secs Computing kpt #: 57 total cpu time spent up to now is 18.7 secs Computing kpt #: 58 total cpu time spent up to now is 19.0 secs Computing kpt #: 59 total cpu time spent up to now is 19.3 secs Computing kpt #: 60 total cpu time spent up to now is 19.6 secs Computing kpt #: 61 total cpu time spent up to now is 19.9 secs Computing kpt #: 62 total cpu time spent up to now is 20.2 secs Computing kpt #: 63 total cpu time spent up to now is 20.5 secs Computing kpt #: 64 total cpu time spent up to now is 20.8 secs Computing kpt #: 65 total cpu time spent up to now is 21.0 secs Computing kpt #: 66 total cpu time spent up to now is 21.3 secs Computing kpt #: 67 total cpu time spent up to now is 21.6 secs Computing kpt #: 68 total cpu time spent up to now is 21.8 secs Computing kpt #: 69 total cpu time spent up to now is 22.1 secs Computing kpt #: 70 total cpu time spent up to now is 22.3 secs Computing kpt #: 71 total cpu time spent up to now is 22.5 secs Computing kpt #: 72 total cpu time spent up to now is 22.8 secs Computing kpt #: 73 total cpu time spent up to now is 23.0 secs Computing kpt #: 74 total cpu time spent up to now is 23.2 secs Computing kpt #: 75 total cpu time spent up to now is 23.5 secs Computing kpt #: 76 total cpu time spent up to now is 23.7 secs Computing kpt #: 77 total cpu time spent up to now is 23.9 secs Computing kpt #: 78 total cpu time spent up to now is 24.1 secs Computing kpt #: 79 total cpu time spent up to now is 24.4 secs Computing kpt #: 80 total cpu time spent up to now is 24.6 secs Computing kpt #: 81 total cpu time spent up to now is 24.8 secs Computing kpt #: 82 total cpu time spent up to now is 25.0 secs Computing kpt #: 83 total cpu time spent up to now is 25.2 secs Computing kpt #: 84 total cpu time spent up to now is 25.5 secs Computing kpt #: 85 total cpu time spent up to now is 25.7 secs Computing kpt #: 86 total cpu time spent up to now is 25.9 secs Computing kpt #: 87 total cpu time spent up to now is 26.1 secs Computing kpt #: 88 total cpu time spent up to now is 26.3 secs Computing kpt #: 89 total cpu time spent up to now is 26.6 secs Computing kpt #: 90 total cpu time spent up to now is 26.8 secs Computing kpt #: 91 total cpu time spent up to now is 27.0 secs Computing kpt #: 92 total cpu time spent up to now is 27.2 secs Computing kpt #: 93 total cpu time spent up to now is 27.5 secs Computing kpt #: 94 total cpu time spent up to now is 27.7 secs Computing kpt #: 95 total cpu time spent up to now is 27.9 secs Computing kpt #: 96 total cpu time spent up to now is 28.2 secs Computing kpt #: 97 total cpu time spent up to now is 28.5 secs Computing kpt #: 98 total cpu time spent up to now is 28.9 secs Computing kpt #: 99 total cpu time spent up to now is 29.2 secs Computing kpt #: 100 total cpu time spent up to now is 29.5 secs Computing kpt #: 101 total cpu time spent up to now is 29.8 secs Computing kpt #: 102 total cpu time spent up to now is 30.1 secs Computing kpt #: 103 total cpu time spent up to now is 30.3 secs Computing kpt #: 104 total cpu time spent up to now is 30.6 secs Computing kpt #: 105 total cpu time spent up to now is 30.9 secs Computing kpt #: 106 total cpu time spent up to now is 31.2 secs Computing kpt #: 107 total cpu time spent up to now is 31.5 secs Computing kpt #: 108 total cpu time spent up to now is 31.7 secs Computing kpt #: 109 total cpu time spent up to now is 32.0 secs Computing kpt #: 110 total cpu time spent up to now is 32.3 secs Computing kpt #: 111 total cpu time spent up to now is 32.6 secs Computing kpt #: 112 total cpu time spent up to now is 32.9 secs Computing kpt #: 113 total cpu time spent up to now is 33.1 secs Computing kpt #: 114 total cpu time spent up to now is 33.4 secs Computing kpt #: 115 total cpu time spent up to now is 33.7 secs Computing kpt #: 116 total cpu time spent up to now is 34.0 secs Computing kpt #: 117 total cpu time spent up to now is 34.3 secs Computing kpt #: 118 total cpu time spent up to now is 34.6 secs Computing kpt #: 119 total cpu time spent up to now is 34.9 secs Computing kpt #: 120 total cpu time spent up to now is 35.2 secs Computing kpt #: 121 total cpu time spent up to now is 35.5 secs Computing kpt #: 122 total cpu time spent up to now is 35.8 secs Computing kpt #: 123 total cpu time spent up to now is 36.1 secs Computing kpt #: 124 total cpu time spent up to now is 36.3 secs Computing kpt #: 125 total cpu time spent up to now is 36.6 secs Computing kpt #: 126 total cpu time spent up to now is 36.9 secs Computing kpt #: 127 total cpu time spent up to now is 37.2 secs Computing kpt #: 128 total cpu time spent up to now is 37.5 secs Computing kpt #: 129 total cpu time spent up to now is 37.7 secs Computing kpt #: 130 total cpu time spent up to now is 38.0 secs Computing kpt #: 131 total cpu time spent up to now is 38.3 secs Computing kpt #: 132 total cpu time spent up to now is 38.5 secs Computing kpt #: 133 total cpu time spent up to now is 38.8 secs Computing kpt #: 134 total cpu time spent up to now is 39.1 secs Computing kpt #: 135 total cpu time spent up to now is 39.3 secs Computing kpt #: 136 total cpu time spent up to now is 39.6 secs Computing kpt #: 137 total cpu time spent up to now is 39.9 secs Computing kpt #: 138 total cpu time spent up to now is 40.1 secs Computing kpt #: 139 total cpu time spent up to now is 40.4 secs Computing kpt #: 140 total cpu time spent up to now is 40.7 secs Computing kpt #: 141 total cpu time spent up to now is 40.9 secs Computing kpt #: 142 total cpu time spent up to now is 41.2 secs Computing kpt #: 143 total cpu time spent up to now is 41.5 secs Computing kpt #: 144 total cpu time spent up to now is 41.7 secs Computing kpt #: 145 total cpu time spent up to now is 42.0 secs Computing kpt #: 146 total cpu time spent up to now is 42.2 secs Computing kpt #: 147 total cpu time spent up to now is 42.5 secs Computing kpt #: 148 total cpu time spent up to now is 42.8 secs Computing kpt #: 149 total cpu time spent up to now is 43.0 secs Computing kpt #: 150 total cpu time spent up to now is 43.3 secs Computing kpt #: 151 total cpu time spent up to now is 43.6 secs Computing kpt #: 152 total cpu time spent up to now is 43.8 secs Computing kpt #: 153 total cpu time spent up to now is 44.1 secs Computing kpt #: 154 total cpu time spent up to now is 44.3 secs Computing kpt #: 155 total cpu time spent up to now is 44.6 secs Computing kpt #: 156 total cpu time spent up to now is 44.9 secs Computing kpt #: 157 total cpu time spent up to now is 45.1 secs Computing kpt #: 158 total cpu time spent up to now is 45.4 secs Computing kpt #: 159 total cpu time spent up to now is 45.6 secs Computing kpt #: 160 total cpu time spent up to now is 45.9 secs Computing kpt #: 161 total cpu time spent up to now is 46.1 secs Computing kpt #: 162 total cpu time spent up to now is 46.4 secs Computing kpt #: 163 total cpu time spent up to now is 46.6 secs Computing kpt #: 164 total cpu time spent up to now is 46.8 secs Computing kpt #: 165 total cpu time spent up to now is 47.1 secs Computing kpt #: 166 total cpu time spent up to now is 47.3 secs Computing kpt #: 167 total cpu time spent up to now is 47.5 secs Computing kpt #: 168 total cpu time spent up to now is 47.8 secs Computing kpt #: 169 total cpu time spent up to now is 48.0 secs Computing kpt #: 170 total cpu time spent up to now is 48.2 secs Computing kpt #: 171 total cpu time spent up to now is 48.5 secs Computing kpt #: 172 total cpu time spent up to now is 48.7 secs Computing kpt #: 173 total cpu time spent up to now is 49.0 secs Computing kpt #: 174 total cpu time spent up to now is 49.2 secs Computing kpt #: 175 total cpu time spent up to now is 49.4 secs Computing kpt #: 176 total cpu time spent up to now is 49.6 secs Computing kpt #: 177 total cpu time spent up to now is 49.9 secs Computing kpt #: 178 total cpu time spent up to now is 50.1 secs Computing kpt #: 179 total cpu time spent up to now is 50.4 secs Computing kpt #: 180 total cpu time spent up to now is 50.7 secs Computing kpt #: 181 total cpu time spent up to now is 50.9 secs Computing kpt #: 182 total cpu time spent up to now is 51.2 secs Computing kpt #: 183 total cpu time spent up to now is 51.4 secs Computing kpt #: 184 total cpu time spent up to now is 51.7 secs Computing kpt #: 185 total cpu time spent up to now is 52.0 secs Computing kpt #: 186 total cpu time spent up to now is 52.2 secs Computing kpt #: 187 total cpu time spent up to now is 52.5 secs Computing kpt #: 188 total cpu time spent up to now is 52.8 secs Computing kpt #: 189 total cpu time spent up to now is 53.1 secs Computing kpt #: 190 total cpu time spent up to now is 53.3 secs Computing kpt #: 191 total cpu time spent up to now is 53.6 secs Computing kpt #: 192 total cpu time spent up to now is 53.9 secs Computing kpt #: 193 total cpu time spent up to now is 54.1 secs Computing kpt #: 194 total cpu time spent up to now is 54.4 secs Computing kpt #: 195 total cpu time spent up to now is 54.7 secs Computing kpt #: 196 total cpu time spent up to now is 55.0 secs Computing kpt #: 197 total cpu time spent up to now is 55.3 secs Computing kpt #: 198 total cpu time spent up to now is 55.6 secs Computing kpt #: 199 total cpu time spent up to now is 55.8 secs Computing kpt #: 200 total cpu time spent up to now is 56.1 secs Computing kpt #: 201 total cpu time spent up to now is 56.4 secs Computing kpt #: 202 total cpu time spent up to now is 56.7 secs Computing kpt #: 203 total cpu time spent up to now is 57.0 secs Computing kpt #: 204 total cpu time spent up to now is 57.3 secs Computing kpt #: 205 total cpu time spent up to now is 57.6 secs Computing kpt #: 206 total cpu time spent up to now is 57.9 secs Computing kpt #: 207 total cpu time spent up to now is 58.2 secs Computing kpt #: 208 total cpu time spent up to now is 58.4 secs Computing kpt #: 209 total cpu time spent up to now is 58.7 secs Computing kpt #: 210 total cpu time spent up to now is 59.0 secs Computing kpt #: 211 total cpu time spent up to now is 59.3 secs Computing kpt #: 212 total cpu time spent up to now is 59.6 secs Computing kpt #: 213 total cpu time spent up to now is 59.8 secs Computing kpt #: 214 total cpu time spent up to now is 60.1 secs Computing kpt #: 215 total cpu time spent up to now is 60.3 secs Computing kpt #: 216 total cpu time spent up to now is 60.6 secs Computing kpt #: 217 total cpu time spent up to now is 60.8 secs Computing kpt #: 218 total cpu time spent up to now is 61.1 secs Computing kpt #: 219 total cpu time spent up to now is 61.4 secs Computing kpt #: 220 total cpu time spent up to now is 61.6 secs Computing kpt #: 221 total cpu time spent up to now is 61.9 secs Computing kpt #: 222 total cpu time spent up to now is 62.2 secs Computing kpt #: 223 total cpu time spent up to now is 62.5 secs Computing kpt #: 224 total cpu time spent up to now is 62.8 secs Computing kpt #: 225 total cpu time spent up to now is 63.0 secs Computing kpt #: 226 total cpu time spent up to now is 63.3 secs Computing kpt #: 227 total cpu time spent up to now is 63.6 secs Computing kpt #: 228 total cpu time spent up to now is 63.9 secs Computing kpt #: 229 total cpu time spent up to now is 64.2 secs Computing kpt #: 230 total cpu time spent up to now is 64.5 secs Computing kpt #: 231 total cpu time spent up to now is 64.8 secs Computing kpt #: 232 total cpu time spent up to now is 65.1 secs Computing kpt #: 233 total cpu time spent up to now is 65.4 secs Computing kpt #: 234 total cpu time spent up to now is 65.7 secs Computing kpt #: 235 total cpu time spent up to now is 66.0 secs Computing kpt #: 236 total cpu time spent up to now is 66.3 secs Computing kpt #: 237 total cpu time spent up to now is 66.6 secs Computing kpt #: 238 total cpu time spent up to now is 66.9 secs Computing kpt #: 239 total cpu time spent up to now is 67.2 secs Computing kpt #: 240 total cpu time spent up to now is 67.5 secs Computing kpt #: 241 total cpu time spent up to now is 67.9 secs Computing kpt #: 242 total cpu time spent up to now is 68.2 secs Computing kpt #: 243 total cpu time spent up to now is 68.6 secs Computing kpt #: 244 total cpu time spent up to now is 68.9 secs Computing kpt #: 245 total cpu time spent up to now is 69.2 secs Computing kpt #: 246 total cpu time spent up to now is 69.6 secs Computing kpt #: 247 total cpu time spent up to now is 69.9 secs Computing kpt #: 248 total cpu time spent up to now is 70.3 secs Computing kpt #: 249 total cpu time spent up to now is 70.6 secs Computing kpt #: 250 total cpu time spent up to now is 71.0 secs Computing kpt #: 251 total cpu time spent up to now is 71.4 secs Computing kpt #: 252 total cpu time spent up to now is 71.7 secs Computing kpt #: 253 total cpu time spent up to now is 72.1 secs Computing kpt #: 254 total cpu time spent up to now is 72.4 secs Computing kpt #: 255 total cpu time spent up to now is 72.8 secs Computing kpt #: 256 total cpu time spent up to now is 73.1 secs Computing kpt #: 257 total cpu time spent up to now is 73.4 secs Computing kpt #: 258 total cpu time spent up to now is 73.8 secs Computing kpt #: 259 total cpu time spent up to now is 74.1 secs Computing kpt #: 260 total cpu time spent up to now is 74.5 secs Computing kpt #: 261 total cpu time spent up to now is 74.8 secs Computing kpt #: 262 total cpu time spent up to now is 75.2 secs Computing kpt #: 263 total cpu time spent up to now is 75.5 secs Computing kpt #: 264 total cpu time spent up to now is 75.9 secs Computing kpt #: 265 total cpu time spent up to now is 76.2 secs Computing kpt #: 266 total cpu time spent up to now is 76.6 secs Computing kpt #: 267 total cpu time spent up to now is 76.9 secs Computing kpt #: 268 total cpu time spent up to now is 77.3 secs Computing kpt #: 269 total cpu time spent up to now is 77.6 secs Computing kpt #: 270 total cpu time spent up to now is 77.9 secs Computing kpt #: 271 total cpu time spent up to now is 78.3 secs Computing kpt #: 272 total cpu time spent up to now is 78.6 secs Computing kpt #: 273 total cpu time spent up to now is 79.0 secs Computing kpt #: 274 total cpu time spent up to now is 79.3 secs Computing kpt #: 275 total cpu time spent up to now is 79.6 secs Computing kpt #: 276 total cpu time spent up to now is 79.9 secs Computing kpt #: 277 total cpu time spent up to now is 80.2 secs Computing kpt #: 278 total cpu time spent up to now is 80.5 secs Computing kpt #: 279 total cpu time spent up to now is 80.8 secs Computing kpt #: 280 total cpu time spent up to now is 81.1 secs Computing kpt #: 281 total cpu time spent up to now is 81.4 secs Computing kpt #: 282 total cpu time spent up to now is 81.7 secs Computing kpt #: 283 total cpu time spent up to now is 82.0 secs Computing kpt #: 284 total cpu time spent up to now is 82.3 secs Computing kpt #: 285 total cpu time spent up to now is 82.6 secs Computing kpt #: 286 total cpu time spent up to now is 82.9 secs Computing kpt #: 287 total cpu time spent up to now is 83.2 secs Computing kpt #: 288 total cpu time spent up to now is 83.4 secs Computing kpt #: 289 total cpu time spent up to now is 83.7 secs Computing kpt #: 290 total cpu time spent up to now is 84.0 secs Computing kpt #: 291 total cpu time spent up to now is 84.2 secs Computing kpt #: 292 total cpu time spent up to now is 84.5 secs Computing kpt #: 293 total cpu time spent up to now is 84.8 secs Computing kpt #: 294 total cpu time spent up to now is 85.0 secs Computing kpt #: 295 total cpu time spent up to now is 85.3 secs Computing kpt #: 296 total cpu time spent up to now is 85.5 secs Computing kpt #: 297 total cpu time spent up to now is 85.8 secs Computing kpt #: 298 total cpu time spent up to now is 86.1 secs Computing kpt #: 299 total cpu time spent up to now is 86.3 secs Computing kpt #: 300 total cpu time spent up to now is 86.6 secs Computing kpt #: 301 total cpu time spent up to now is 86.8 secs Computing kpt #: 302 total cpu time spent up to now is 87.1 secs Computing kpt #: 303 total cpu time spent up to now is 87.3 secs Computing kpt #: 304 total cpu time spent up to now is 87.6 secs Computing kpt #: 305 total cpu time spent up to now is 87.9 secs Computing kpt #: 306 total cpu time spent up to now is 88.1 secs Computing kpt #: 307 total cpu time spent up to now is 88.4 secs Computing kpt #: 308 total cpu time spent up to now is 88.6 secs Computing kpt #: 309 total cpu time spent up to now is 88.9 secs Computing kpt #: 310 total cpu time spent up to now is 89.1 secs Computing kpt #: 311 total cpu time spent up to now is 89.4 secs Computing kpt #: 312 total cpu time spent up to now is 89.6 secs Computing kpt #: 313 total cpu time spent up to now is 89.8 secs Computing kpt #: 314 total cpu time spent up to now is 90.1 secs Computing kpt #: 315 total cpu time spent up to now is 90.4 secs Computing kpt #: 316 total cpu time spent up to now is 90.7 secs Computing kpt #: 317 total cpu time spent up to now is 91.0 secs Computing kpt #: 318 total cpu time spent up to now is 91.3 secs Computing kpt #: 319 total cpu time spent up to now is 91.7 secs Computing kpt #: 320 total cpu time spent up to now is 92.0 secs Computing kpt #: 321 total cpu time spent up to now is 92.3 secs Computing kpt #: 322 total cpu time spent up to now is 92.6 secs Computing kpt #: 323 total cpu time spent up to now is 92.9 secs Computing kpt #: 324 total cpu time spent up to now is 93.2 secs Computing kpt #: 325 total cpu time spent up to now is 93.5 secs Computing kpt #: 326 total cpu time spent up to now is 93.8 secs Computing kpt #: 327 total cpu time spent up to now is 94.1 secs Computing kpt #: 328 total cpu time spent up to now is 94.4 secs Computing kpt #: 329 total cpu time spent up to now is 94.8 secs Computing kpt #: 330 total cpu time spent up to now is 95.1 secs Computing kpt #: 331 total cpu time spent up to now is 95.4 secs Computing kpt #: 332 total cpu time spent up to now is 95.7 secs Computing kpt #: 333 total cpu time spent up to now is 96.0 secs Computing kpt #: 334 total cpu time spent up to now is 96.3 secs Computing kpt #: 335 total cpu time spent up to now is 96.6 secs Computing kpt #: 336 total cpu time spent up to now is 96.9 secs Computing kpt #: 337 total cpu time spent up to now is 97.2 secs Computing kpt #: 338 total cpu time spent up to now is 97.5 secs Computing kpt #: 339 total cpu time spent up to now is 97.8 secs Computing kpt #: 340 total cpu time spent up to now is 98.1 secs Computing kpt #: 341 total cpu time spent up to now is 98.4 secs Computing kpt #: 342 total cpu time spent up to now is 98.7 secs Computing kpt #: 343 total cpu time spent up to now is 99.0 secs Computing kpt #: 344 total cpu time spent up to now is 99.2 secs Computing kpt #: 345 total cpu time spent up to now is 99.5 secs Computing kpt #: 346 total cpu time spent up to now is 99.8 secs Computing kpt #: 347 total cpu time spent up to now is 100.0 secs Computing kpt #: 348 total cpu time spent up to now is 100.2 secs Computing kpt #: 349 total cpu time spent up to now is 100.4 secs Computing kpt #: 350 total cpu time spent up to now is 100.6 secs Computing kpt #: 351 total cpu time spent up to now is 100.9 secs Computing kpt #: 352 total cpu time spent up to now is 101.1 secs Computing kpt #: 353 total cpu time spent up to now is 101.3 secs Computing kpt #: 354 total cpu time spent up to now is 101.5 secs Computing kpt #: 355 total cpu time spent up to now is 101.8 secs Computing kpt #: 356 total cpu time spent up to now is 102.0 secs Computing kpt #: 357 total cpu time spent up to now is 102.2 secs Computing kpt #: 358 total cpu time spent up to now is 102.5 secs Computing kpt #: 359 total cpu time spent up to now is 102.7 secs Computing kpt #: 360 total cpu time spent up to now is 102.9 secs Computing kpt #: 361 total cpu time spent up to now is 103.2 secs Computing kpt #: 362 total cpu time spent up to now is 103.4 secs Computing kpt #: 363 total cpu time spent up to now is 103.6 secs Computing kpt #: 364 total cpu time spent up to now is 103.9 secs Computing kpt #: 365 total cpu time spent up to now is 104.1 secs Computing kpt #: 366 total cpu time spent up to now is 104.3 secs Computing kpt #: 367 total cpu time spent up to now is 104.6 secs Computing kpt #: 368 total cpu time spent up to now is 104.9 secs Computing kpt #: 369 total cpu time spent up to now is 105.3 secs Computing kpt #: 370 total cpu time spent up to now is 105.6 secs Computing kpt #: 371 total cpu time spent up to now is 105.9 secs Computing kpt #: 372 total cpu time spent up to now is 106.2 secs Computing kpt #: 373 total cpu time spent up to now is 106.6 secs Computing kpt #: 374 total cpu time spent up to now is 106.9 secs Computing kpt #: 375 total cpu time spent up to now is 107.3 secs Computing kpt #: 376 total cpu time spent up to now is 107.6 secs Computing kpt #: 377 total cpu time spent up to now is 108.0 secs Computing kpt #: 378 total cpu time spent up to now is 108.3 secs Computing kpt #: 379 total cpu time spent up to now is 108.6 secs ethr = 2.78E-08, avg # of iterations = 13.6 total cpu time spent up to now is 108.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3995 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2857 -9.2857 -8.4863 -8.4863 0.2601 0.2601 0.6840 0.6840 0.9045 0.9045 0.9077 0.9077 2.4254 2.4254 3.1695 3.1695 3.2458 3.2458 3.2478 3.2478 6.5856 6.5856 9.2433 9.2433 9.6652 9.6652 9.6652 9.6652 k = 0.0000 0.0125-0.0000 ( 3999 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2852 -9.2852 -8.4863 -8.4863 0.2611 0.2611 0.6782 0.6782 0.9021 0.9021 0.9113 0.9113 2.4275 2.4275 3.1683 3.1683 3.2452 3.2452 3.2477 3.2477 6.5900 6.5900 9.2454 9.2454 9.6640 9.6640 9.6654 9.6654 k = 0.0000 0.0250-0.0000 ( 3999 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2837 -9.2837 -8.4865 -8.4865 0.2640 0.2640 0.6620 0.6620 0.8910 0.8910 0.9245 0.9245 2.4339 2.4339 3.1648 3.1648 3.2424 3.2424 3.2486 3.2486 6.6033 6.6033 9.2515 9.2515 9.6605 9.6605 9.6658 9.6658 k = 0.0000 0.0375-0.0000 ( 4005 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2812 -9.2812 -8.4868 -8.4868 0.2688 0.2688 0.6381 0.6381 0.8726 0.8726 0.9438 0.9438 2.4442 2.4442 3.1589 3.1589 3.2372 3.2372 3.2506 3.2506 6.6252 6.6252 9.2616 9.2616 9.6547 9.6547 9.6666 9.6666 k = 0.0000 0.0500-0.0000 ( 4011 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7804 -36.7804 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2778 -9.2778 -8.4872 -8.4872 0.2755 0.2755 0.6090 0.6090 0.8475 0.8475 0.9666 0.9666 2.4581 2.4581 3.1507 3.1507 3.2300 3.2300 3.2534 3.2534 6.6555 6.6555 9.2756 9.2756 9.6467 9.6467 9.6676 9.6676 k = 0.0000 0.0625-0.0000 ( 4013 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7804 -36.7804 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2735 -9.2735 -8.4878 -8.4878 0.2841 0.2841 0.5761 0.5761 0.8162 0.8162 0.9915 0.9915 2.4751 2.4751 3.1401 3.1401 3.2210 3.2210 3.2570 3.2570 6.6940 6.6940 9.2934 9.2934 9.6367 9.6367 9.6688 9.6688 k = 0.0000 0.0750-0.0000 ( 4005 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2681 -9.2681 -8.4885 -8.4885 0.2947 0.2947 0.5406 0.5406 0.7794 0.7794 1.0176 1.0176 2.4947 2.4947 3.1271 3.1271 3.2102 3.2102 3.2612 3.2612 6.7403 6.7403 9.3146 9.3146 9.6248 9.6248 9.6703 9.6703 k = 0.0000 0.0875-0.0000 ( 4001 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2619 -9.2619 -8.4893 -8.4893 0.3071 0.3071 0.5030 0.5030 0.7378 0.7378 1.0444 1.0444 2.5163 2.5163 3.1119 3.1119 3.1981 3.1981 3.2662 3.2662 6.7939 6.7939 9.3390 9.3390 9.6113 9.6113 9.6719 9.6719 k = 0.0000 0.1000-0.0000 ( 4004 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2547 -9.2547 -8.4904 -8.4904 0.3215 0.3215 0.4637 0.4637 0.6921 0.6921 1.0715 1.0715 2.5394 2.5394 3.0943 3.0943 3.1846 3.1846 3.2717 3.2717 6.8542 6.8542 9.3663 9.3663 9.5964 9.5964 9.6737 9.6737 k = 0.0000 0.1125-0.0000 ( 4004 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5227 -36.5227 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2466 -9.2466 -8.4916 -8.4916 0.3377 0.3377 0.4231 0.4231 0.6429 0.6429 1.0990 1.0990 2.5634 2.5634 3.0744 3.0744 3.1702 3.1702 3.2777 3.2777 6.9209 6.9209 9.3961 9.3961 9.5803 9.5803 9.6756 9.6756 k = 0.0000 0.1250-0.0000 ( 4014 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5228 -36.5228 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2376 -9.2376 -8.4930 -8.4930 0.3557 0.3557 0.3814 0.3814 0.5909 0.5909 1.1266 1.1266 2.5877 2.5877 3.0522 3.0522 3.1550 3.1550 3.2842 3.2842 6.9933 6.9933 9.4281 9.4281 9.5633 9.5633 9.6774 9.6774 k = 0.0000 0.1375-0.0000 ( 4016 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5227 -36.5227 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2278 -9.2278 -8.4947 -8.4947 0.3387 0.3387 0.3756 0.3756 0.5366 0.5366 1.1545 1.1545 2.6119 2.6119 3.0277 3.0277 3.1395 3.1395 3.2911 3.2911 7.0707 7.0707 9.4617 9.4617 9.5456 9.5456 9.6792 9.6792 k = 0.0000 0.1500-0.0000 ( 4012 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5227 -36.5227 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2172 -9.2172 -8.4966 -8.4966 0.2954 0.2954 0.3974 0.3974 0.4806 0.4806 1.1825 1.1825 2.6354 2.6354 3.0010 3.0010 3.1239 3.1239 3.2983 3.2983 7.1527 7.1527 9.4966 9.4966 9.5277 9.5277 9.6809 9.6809 k = 0.0000 0.1625-0.0000 ( 4006 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5227 -36.5227 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2057 -9.2057 -8.4988 -8.4988 0.2515 0.2515 0.4209 0.4209 0.4234 0.4234 1.2108 1.2108 2.6575 2.6575 2.9721 2.9721 3.1088 3.1088 3.3058 3.3058 7.2385 7.2385 9.5093 9.5093 9.5324 9.5324 9.6823 9.6823 k = 0.0000 0.1750-0.0000 ( 4012 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4271 -36.4271 -36.4267 -36.4267 -9.1934 -9.1934 -8.5013 -8.5013 0.2072 0.2072 0.3654 0.3654 0.4463 0.4463 1.2394 1.2394 2.6776 2.6776 2.9410 2.9410 3.0947 3.0947 3.3134 3.3134 7.3275 7.3275 9.4914 9.4914 9.5680 9.5680 9.6836 9.6836 k = 0.0000 0.1875-0.0000 ( 4008 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1804 -9.1804 -8.5041 -8.5041 0.1627 0.1627 0.3072 0.3072 0.4734 0.4734 1.2682 1.2682 2.6950 2.6950 2.9078 2.9078 3.0823 3.0823 3.3210 3.3210 7.4192 7.4192 9.4738 9.4738 9.6033 9.6033 9.6844 9.6844 k = 0.0000 0.2000-0.0000 ( 4016 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1667 -9.1667 -8.5073 -8.5073 0.1182 0.1182 0.2490 0.2490 0.5023 0.5023 1.2974 1.2974 2.7088 2.7088 2.8725 2.8725 3.0724 3.0724 3.3287 3.3287 7.5128 7.5128 9.4568 9.4568 9.6376 9.6376 9.6849 9.6849 k = 0.0000 0.2125-0.0000 ( 4016 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7781 -36.7781 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1524 -9.1524 -8.5109 -8.5109 0.0738 0.0738 0.1912 0.1912 0.5329 0.5329 1.3270 1.3270 2.7181 2.7181 2.8352 2.8352 3.0657 3.0657 3.3364 3.3364 7.6078 7.6078 9.4406 9.4406 9.6702 9.6702 9.6849 9.6849 k = 0.0000 0.2250-0.0000 ( 4020 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7782 -36.7782 -36.5227 -36.5227 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1374 -9.1374 -8.5148 -8.5148 0.0297 0.0297 0.1341 0.1341 0.5652 0.5652 1.3569 1.3569 2.7223 2.7223 2.7960 2.7960 3.0630 3.0630 3.3438 3.3438 7.7035 7.7035 9.4254 9.4254 9.6840 9.6840 9.7010 9.7010 k = 0.0000 0.2375-0.0000 ( 4016 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7782 -36.7782 -36.5227 -36.5227 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1218 -9.1218 -8.5192 -8.5192 -0.0139 -0.0139 0.0781 0.0781 0.5992 0.5992 1.3873 1.3873 2.7210 2.7210 2.7548 2.7548 3.0645 3.0645 3.3511 3.3511 7.7995 7.7995 9.4114 9.4114 9.6827 9.6827 9.7288 9.7288 k = 0.0000 0.2500-0.0000 ( 4006 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7782 -36.7782 -36.5226 -36.5226 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1056 -9.1056 -8.5240 -8.5240 -0.0570 -0.0570 0.0233 0.0233 0.6348 0.6348 1.4181 1.4181 2.7116 2.7116 2.7144 2.7144 3.0701 3.0701 3.3582 3.3582 7.8951 7.8951 9.3988 9.3988 9.6807 9.6807 9.7535 9.7535 k = 0.0000 0.2625-0.0000 ( 4006 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7783 -36.7783 -36.5226 -36.5226 -36.5214 -36.5214 -36.4272 -36.4272 -36.4269 -36.4269 -9.0889 -9.0889 -8.5293 -8.5293 -0.0992 -0.0992 -0.0300 -0.0300 0.6720 0.6720 1.4494 1.4494 2.6671 2.6671 2.7024 2.7024 3.0795 3.0795 3.3649 3.3649 7.9898 7.9898 9.3875 9.3875 9.6779 9.6779 9.7745 9.7745 k = 0.0000 0.2750-0.0000 ( 4002 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7783 -36.7783 -36.5226 -36.5226 -36.5214 -36.5214 -36.4273 -36.4273 -36.4269 -36.4269 -9.0718 -9.0718 -8.5351 -8.5351 -0.1404 -0.1404 -0.0815 -0.0815 0.7108 0.7108 1.4812 1.4812 2.6207 2.6207 2.6863 2.6863 3.0919 3.0919 3.3712 3.3712 8.0832 8.0832 9.3778 9.3778 9.6742 9.6742 9.7915 9.7915 k = 0.0000 0.2875-0.0000 ( 4002 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7800 -36.7800 -36.7784 -36.7784 -36.5226 -36.5226 -36.5214 -36.5214 -36.4273 -36.4273 -36.4269 -36.4269 -9.0542 -9.0542 -8.5415 -8.5415 -0.1806 -0.1806 -0.1311 -0.1311 0.7511 0.7511 1.5134 1.5134 2.5728 2.5728 2.6665 2.6665 3.1065 3.1065 3.3770 3.3770 8.1749 8.1749 9.3697 9.3697 9.6696 9.6696 9.8041 9.8041 k = 0.0000 0.3000-0.0000 ( 4002 PWs) bands (ev): -69.8264 -69.8264 -69.8262 -69.8262 -36.7800 -36.7800 -36.7784 -36.7784 -36.5226 -36.5226 -36.5215 -36.5215 -36.4273 -36.4273 -36.4269 -36.4269 -9.0363 -9.0363 -8.5484 -8.5484 -0.2195 -0.2195 -0.1786 -0.1786 0.7929 0.7929 1.5460 1.5460 2.5234 2.5234 2.6438 2.6438 3.1228 3.1228 3.3823 3.3823 8.2646 8.2646 9.3634 9.3634 9.6640 9.6640 9.8121 9.8121 k = 0.0000 0.3125-0.0000 ( 4002 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7785 -36.7785 -36.5225 -36.5225 -36.5215 -36.5215 -36.4273 -36.4273 -36.4270 -36.4270 -9.0181 -9.0181 -8.5559 -8.5559 -0.2570 -0.2570 -0.2238 -0.2238 0.8362 0.8362 1.5792 1.5792 2.4726 2.4726 2.6187 2.6187 3.1400 3.1400 3.3871 3.3871 8.3520 8.3520 9.3587 9.3587 9.6575 9.6575 9.8153 9.8153 k = 0.0000 0.3250-0.0000 ( 4000 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7785 -36.7785 -36.5225 -36.5225 -36.5215 -36.5215 -36.4273 -36.4273 -36.4270 -36.4270 -8.9996 -8.9996 -8.5639 -8.5639 -0.2929 -0.2929 -0.2666 -0.2666 0.8809 0.8809 1.6128 1.6128 2.4206 2.4206 2.5917 2.5917 3.1578 3.1578 3.3913 3.3913 8.4369 8.4369 9.3557 9.3557 9.6500 9.6500 9.8137 9.8137 k = 0.0000 0.3375-0.0000 ( 4004 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7786 -36.7786 -36.5225 -36.5225 -36.5216 -36.5216 -36.4273 -36.4273 -36.4270 -36.4270 -8.9808 -8.9808 -8.5726 -8.5726 -0.3271 -0.3271 -0.3068 -0.3068 0.9269 0.9269 1.6468 1.6468 2.3674 2.3674 2.5630 2.5630 3.1758 3.1758 3.3947 3.3947 8.5192 8.5192 9.3545 9.3545 9.6415 9.6415 9.8073 9.8073 k = 0.0000 0.3500-0.0000 ( 4004 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7786 -36.7786 -36.5225 -36.5225 -36.5216 -36.5216 -36.4273 -36.4273 -36.4270 -36.4270 -8.9620 -8.9620 -8.5819 -8.5819 -0.3595 -0.3595 -0.3443 -0.3443 0.9742 0.9742 1.6812 1.6812 2.3131 2.3131 2.5330 2.5330 3.1939 3.1939 3.3975 3.3975 8.5988 8.5988 9.3551 9.3551 9.6321 9.6321 9.7961 9.7961 k = 0.0000 0.3625-0.0000 ( 4012 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7787 -36.7787 -36.5225 -36.5225 -36.5217 -36.5217 -36.4274 -36.4274 -36.4271 -36.4271 -8.9430 -8.9430 -8.5918 -8.5918 -0.3899 -0.3899 -0.3791 -0.3791 1.0227 1.0227 1.7161 1.7161 2.2579 2.2579 2.5018 2.5018 3.2116 3.2116 3.3995 3.3995 8.6757 8.6757 9.3573 9.3573 9.6217 9.6217 9.7803 9.7803 k = 0.0000 0.3750-0.0000 ( 4012 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7798 -36.7798 -36.7788 -36.7788 -36.5224 -36.5224 -36.5217 -36.5217 -36.4274 -36.4274 -36.4271 -36.4271 -8.9239 -8.9239 -8.6024 -8.6024 -0.4183 -0.4183 -0.4110 -0.4110 1.0725 1.0725 1.7513 1.7513 2.2019 2.2019 2.4697 2.4697 3.2290 3.2290 3.4006 3.4006 8.7500 8.7500 9.3611 9.3611 9.6105 9.6105 9.7601 9.7601 k = 0.0000 0.3875-0.0000 ( 4016 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7798 -36.7798 -36.7788 -36.7788 -36.5224 -36.5224 -36.5218 -36.5218 -36.4274 -36.4274 -36.4272 -36.4272 -8.9048 -8.9048 -8.6136 -8.6136 -0.4444 -0.4444 -0.4400 -0.4400 1.1234 1.1234 1.7869 1.7869 2.1452 2.1452 2.4366 2.4366 3.2459 3.2459 3.4010 3.4010 8.8217 8.8217 9.3665 9.3665 9.5984 9.5984 9.7356 9.7356 k = 0.0000 0.4000-0.0000 ( 4014 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7798 -36.7798 -36.7789 -36.7789 -36.5224 -36.5224 -36.5218 -36.5218 -36.4274 -36.4274 -36.4272 -36.4272 -8.8858 -8.8858 -8.6254 -8.6254 -0.4681 -0.4681 -0.4660 -0.4660 1.1753 1.1753 1.8228 1.8228 2.0879 2.0879 2.4029 2.4029 3.2621 3.2621 3.4005 3.4005 8.8909 8.8909 9.3733 9.3733 9.5856 9.5856 9.7072 9.7072 k = 0.0000 0.4125-0.0000 ( 4020 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7797 -36.7797 -36.7789 -36.7789 -36.5224 -36.5224 -36.5218 -36.5218 -36.4274 -36.4274 -36.4272 -36.4272 -8.8669 -8.8669 -8.6378 -8.6378 -0.4894 -0.4894 -0.4889 -0.4889 1.2283 1.2283 1.8589 1.8589 2.0300 2.0300 2.3685 2.3685 3.2776 3.2776 3.3990 3.3990 8.9579 8.9579 9.3816 9.3816 9.5720 9.5720 9.6752 9.6752 k = 0.0000 0.4250-0.0000 ( 4028 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7797 -36.7797 -36.7790 -36.7790 -36.5224 -36.5224 -36.5219 -36.5219 -36.4274 -36.4274 -36.4272 -36.4272 -8.8482 -8.8482 -8.6509 -8.6509 -0.5089 -0.5089 -0.5082 -0.5082 1.2822 1.2822 1.8953 1.8953 1.9718 1.9718 2.3336 2.3336 3.2923 3.2923 3.3967 3.3967 9.0226 9.0226 9.3911 9.3911 9.5579 9.5579 9.6397 9.6397 k = 0.0000 0.4375-0.0000 ( 4020 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7797 -36.7797 -36.7791 -36.7791 -36.5223 -36.5223 -36.5219 -36.5219 -36.4274 -36.4274 -36.4272 -36.4272 -8.8296 -8.8296 -8.6646 -8.6646 -0.5256 -0.5256 -0.5243 -0.5243 1.3369 1.3369 1.9134 1.9134 1.9319 1.9319 2.2981 2.2981 3.3063 3.3063 3.3934 3.3934 9.0852 9.0852 9.4018 9.4018 9.5434 9.5434 9.6012 9.6012 k = 0.0000 0.4500-0.0000 ( 4020 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7796 -36.7796 -36.7791 -36.7791 -36.5223 -36.5223 -36.5220 -36.5220 -36.4274 -36.4274 -36.4273 -36.4273 -8.8113 -8.8113 -8.6789 -8.6789 -0.5392 -0.5392 -0.5378 -0.5378 1.3925 1.3925 1.8548 1.8548 1.9687 1.9687 2.2623 2.2623 3.3193 3.3193 3.3891 3.3891 9.1458 9.1458 9.4135 9.4135 9.5285 9.5285 9.5597 9.5597 k = 0.0000 0.4625-0.0000 ( 4032 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5223 -36.5223 -36.5220 -36.5220 -36.4274 -36.4274 -36.4273 -36.4273 -8.7933 -8.7933 -8.6937 -8.6937 -0.5498 -0.5498 -0.5484 -0.5484 1.4487 1.4487 1.7961 1.7961 2.0055 2.0055 2.2262 2.2262 3.3314 3.3314 3.3838 3.3838 9.2045 9.2045 9.4261 9.4261 9.5129 9.5129 9.5161 9.5161 k = 0.0000 0.4750-0.0000 ( 4034 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5222 -36.5222 -36.5221 -36.5221 -36.4274 -36.4274 -36.4273 -36.4273 -8.7756 -8.7756 -8.7091 -8.7091 -0.5572 -0.5572 -0.5561 -0.5561 1.5056 1.5056 1.7375 1.7375 2.0425 2.0425 2.1897 2.1897 3.3426 3.3426 3.3775 3.3775 9.2613 9.2613 9.4394 9.4394 9.4690 9.4690 9.4983 9.4983 k = 0.0000 0.4875-0.0000 ( 4038 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5222 -36.5222 -36.5221 -36.5221 -36.4274 -36.4274 -36.4274 -36.4274 -8.7583 -8.7583 -8.7250 -8.7250 -0.5615 -0.5615 -0.5609 -0.5609 1.5630 1.5630 1.6790 1.6790 2.0794 2.0794 2.1531 2.1531 3.3528 3.3528 3.3703 3.3703 9.3161 9.3161 9.4199 9.4199 9.4538 9.4538 9.4832 9.4832 k = 0.0000 0.5000-0.0000 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7414 -8.7414 -8.7414 -8.7414 -0.5627 -0.5627 -0.5627 -0.5627 1.6208 1.6208 1.6208 1.6208 2.1163 2.1163 2.1163 2.1163 3.3620 3.3620 3.3620 3.3620 9.3690 9.3690 9.3690 9.3690 9.4683 9.4683 9.4683 9.4683 k = 0.0000 0.5000-0.0000 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7414 -8.7414 -8.7414 -8.7414 -0.5627 -0.5627 -0.5627 -0.5627 1.6208 1.6208 1.6208 1.6208 2.1163 2.1163 2.1163 2.1163 3.3620 3.3620 3.3620 3.3620 9.3690 9.3690 9.3690 9.3690 9.4683 9.4683 9.4683 9.4683 k = 0.0125 0.5000-0.0000 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7412 -8.7412 -8.7412 -8.7412 -0.5629 -0.5629 -0.5629 -0.5629 1.6213 1.6213 1.6213 1.6213 2.1140 2.1140 2.1140 2.1140 3.3630 3.3630 3.3630 3.3630 9.3714 9.3714 9.3714 9.3714 9.4654 9.4654 9.4654 9.4654 k = 0.0250 0.5000-0.0000 ( 4042 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7406 -8.7406 -8.7406 -8.7406 -0.5633 -0.5633 -0.5633 -0.5633 1.6229 1.6229 1.6229 1.6229 2.1074 2.1074 2.1074 2.1074 3.3656 3.3656 3.3656 3.3656 9.3784 9.3784 9.3784 9.3784 9.4567 9.4567 9.4567 9.4567 k = 0.0375 0.5000-0.0000 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7396 -8.7396 -8.7396 -8.7396 -0.5640 -0.5640 -0.5640 -0.5640 1.6254 1.6254 1.6254 1.6254 2.0965 2.0965 2.0965 2.0965 3.3699 3.3699 3.3699 3.3699 9.3900 9.3900 9.3900 9.3900 9.4423 9.4423 9.4423 9.4423 k = 0.0500 0.5000-0.0000 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7381 -8.7381 -8.7381 -8.7381 -0.5650 -0.5650 -0.5650 -0.5650 1.6290 1.6290 1.6290 1.6290 2.0819 2.0819 2.0819 2.0819 3.3754 3.3754 3.3754 3.3754 9.4059 9.4059 9.4059 9.4059 9.4227 9.4227 9.4227 9.4227 k = 0.0625 0.5000-0.0000 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7363 -8.7363 -8.7363 -8.7363 -0.5663 -0.5663 -0.5663 -0.5663 1.6335 1.6335 1.6335 1.6335 2.0638 2.0638 2.0638 2.0638 3.3818 3.3818 3.3818 3.3818 9.3969 9.3969 9.3969 9.3969 9.4272 9.4272 9.4272 9.4272 k = 0.0750 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7341 -8.7341 -8.7341 -8.7341 -0.5680 -0.5680 -0.5680 -0.5680 1.6390 1.6390 1.6390 1.6390 2.0430 2.0430 2.0430 2.0430 3.3887 3.3887 3.3887 3.3887 9.3668 9.3668 9.3668 9.3668 9.4522 9.4522 9.4522 9.4522 k = 0.0875 0.5000-0.0000 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5221 -36.5221 -36.5221 -36.5221 -36.4274 -36.4274 -36.4274 -36.4274 -8.7315 -8.7315 -8.7315 -8.7315 -0.5702 -0.5702 -0.5702 -0.5702 1.6455 1.6455 1.6455 1.6455 2.0199 2.0199 2.0199 2.0199 3.3954 3.3954 3.3954 3.3954 9.3318 9.3318 9.3318 9.3318 9.4816 9.4816 9.4816 9.4816 k = 0.1000 0.5000-0.0000 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5221 -36.5221 -36.5221 -36.5221 -36.4274 -36.4274 -36.4274 -36.4274 -8.7285 -8.7285 -8.7285 -8.7285 -0.5729 -0.5729 -0.5729 -0.5729 1.6529 1.6529 1.6529 1.6529 1.9951 1.9951 1.9951 1.9951 3.4016 3.4016 3.4016 3.4016 9.2925 9.2925 9.2925 9.2925 9.5151 9.5151 9.5151 9.5151 k = 0.1125 0.5000-0.0000 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7252 -8.7252 -8.7252 -8.7252 -0.5760 -0.5760 -0.5760 -0.5760 1.6611 1.6611 1.6611 1.6611 1.9692 1.9692 1.9692 1.9692 3.4067 3.4067 3.4067 3.4067 9.2491 9.2491 9.2491 9.2491 9.5525 9.5525 9.5525 9.5525 k = 0.1250 0.5000-0.0000 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7216 -8.7216 -8.7216 -8.7216 -0.5798 -0.5798 -0.5798 -0.5798 1.6702 1.6702 1.6702 1.6702 1.9427 1.9427 1.9427 1.9427 3.4105 3.4105 3.4105 3.4105 9.2021 9.2021 9.2021 9.2021 9.5935 9.5935 9.5935 9.5935 k = 0.1375 0.5000-0.0000 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7177 -8.7177 -8.7177 -8.7177 -0.5842 -0.5842 -0.5842 -0.5842 1.6801 1.6801 1.6801 1.6801 1.9163 1.9163 1.9163 1.9163 3.4126 3.4126 3.4126 3.4126 9.1519 9.1519 9.1519 9.1519 9.6378 9.6378 9.6378 9.6378 k = 0.1500 0.5000-0.0000 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4275 -36.4275 -36.4275 -36.4275 -8.7134 -8.7134 -8.7134 -8.7134 -0.5894 -0.5894 -0.5894 -0.5894 1.6908 1.6908 1.6908 1.6908 1.8904 1.8904 1.8904 1.8904 3.4126 3.4126 3.4126 3.4126 9.0989 9.0989 9.0989 9.0989 9.6849 9.6849 9.6849 9.6849 k = 0.1625 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4275 -36.4275 -36.4275 -36.4275 -8.7090 -8.7090 -8.7090 -8.7090 -0.5952 -0.5952 -0.5952 -0.5952 1.7022 1.7022 1.7022 1.7022 1.8654 1.8654 1.8654 1.8654 3.4103 3.4103 3.4103 3.4103 9.0435 9.0435 9.0435 9.0435 9.7343 9.7343 9.7343 9.7343 k = 0.1750 0.5000-0.0000 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4275 -36.4275 -36.4275 -36.4275 -8.7043 -8.7043 -8.7043 -8.7043 -0.6019 -0.6019 -0.6019 -0.6019 1.7142 1.7142 1.7142 1.7142 1.8418 1.8418 1.8418 1.8418 3.4055 3.4055 3.4055 3.4055 8.9862 8.9862 8.9862 8.9862 9.7854 9.7854 9.7854 9.7854 k = 0.1875 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4275 -36.4275 -36.4275 -36.4275 -8.6993 -8.6993 -8.6993 -8.6993 -0.6094 -0.6094 -0.6094 -0.6094 1.7268 1.7268 1.7268 1.7268 1.8199 1.8199 1.8199 1.8199 3.3982 3.3982 3.3982 3.3982 8.9274 8.9274 8.9274 8.9274 9.8375 9.8375 9.8375 9.8375 k = 0.2000 0.5000-0.0000 ( 4030 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4275 -36.4275 -36.4275 -36.4275 -8.6942 -8.6942 -8.6942 -8.6942 -0.6177 -0.6177 -0.6177 -0.6177 1.7399 1.7399 1.7399 1.7399 1.8000 1.8000 1.8000 1.8000 3.3881 3.3881 3.3881 3.3881 8.8673 8.8673 8.8673 8.8673 9.8897 9.8897 9.8897 9.8897 k = 0.2125 0.5000-0.0000 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5222 -36.5222 -36.5222 -36.5222 -36.4276 -36.4276 -36.4276 -36.4276 -8.6890 -8.6890 -8.6890 -8.6890 -0.6269 -0.6269 -0.6269 -0.6269 1.7534 1.7534 1.7534 1.7534 1.7824 1.7824 1.7824 1.7824 3.3754 3.3754 3.3754 3.3754 8.8066 8.8066 8.8066 8.8066 9.9411 9.9411 9.9411 9.9411 k = 0.2250 0.5000-0.0000 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5223 -36.5223 -36.5223 -36.5223 -36.4276 -36.4276 -36.4276 -36.4276 -8.6836 -8.6836 -8.6836 -8.6836 -0.6368 -0.6368 -0.6368 -0.6368 1.7654 1.7654 1.7654 1.7654 1.7693 1.7693 1.7693 1.7693 3.3599 3.3599 3.3599 3.3599 8.7454 8.7454 8.7454 8.7454 9.9907 9.9907 9.9907 9.9907 k = 0.2375 0.5000-0.0000 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7795 -36.7795 -36.5223 -36.5223 -36.5223 -36.5223 -36.4276 -36.4276 -36.4276 -36.4276 -8.6782 -8.6782 -8.6782 -8.6782 -0.6476 -0.6476 -0.6476 -0.6476 1.7545 1.7545 1.7545 1.7545 1.7820 1.7820 1.7820 1.7820 3.3419 3.3419 3.3419 3.3419 8.6843 8.6843 8.6843 8.6843 10.0374 10.0374 10.0374 10.0374 k = 0.2500 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4276 -36.4276 -36.4276 -36.4276 -8.6727 -8.6727 -8.6727 -8.6727 -0.6590 -0.6590 -0.6590 -0.6590 1.7448 1.7448 1.7448 1.7448 1.7965 1.7965 1.7965 1.7965 3.3214 3.3214 3.3214 3.3214 8.6235 8.6235 8.6235 8.6235 10.0802 10.0802 10.0802 10.0802 k = 0.2625 0.5000-0.0000 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4277 -36.4277 -36.4277 -36.4277 -8.6672 -8.6672 -8.6672 -8.6672 -0.6711 -0.6711 -0.6711 -0.6711 1.7379 1.7379 1.7379 1.7379 1.8111 1.8111 1.8111 1.8111 3.2985 3.2985 3.2985 3.2985 8.5634 8.5634 8.5634 8.5634 10.1185 10.1185 10.1185 10.1185 k = 0.2750 0.5000-0.0000 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4277 -36.4277 -36.4277 -36.4277 -8.6617 -8.6617 -8.6617 -8.6617 -0.6838 -0.6838 -0.6838 -0.6838 1.7337 1.7337 1.7337 1.7337 1.8258 1.8258 1.8258 1.8258 3.2734 3.2734 3.2734 3.2734 8.5043 8.5043 8.5043 8.5043 10.1516 10.1516 10.1516 10.1516 k = 0.2875 0.5000-0.0000 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4277 -36.4277 -36.4277 -36.4277 -8.6562 -8.6562 -8.6562 -8.6562 -0.6969 -0.6969 -0.6969 -0.6969 1.7324 1.7324 1.7324 1.7324 1.8405 1.8405 1.8405 1.8405 3.2463 3.2463 3.2463 3.2463 8.4465 8.4465 8.4465 8.4465 10.1794 10.1794 10.1794 10.1794 k = 0.3000 0.5000-0.0000 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4277 -36.4277 -36.4277 -36.4277 -8.6509 -8.6509 -8.6509 -8.6509 -0.7104 -0.7104 -0.7104 -0.7104 1.7338 1.7338 1.7338 1.7338 1.8550 1.8550 1.8550 1.8550 3.2174 3.2174 3.2174 3.2174 8.3904 8.3904 8.3904 8.3904 10.2020 10.2020 10.2020 10.2020 k = 0.3125 0.5000-0.0000 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7796 -36.7796 -36.5223 -36.5223 -36.5223 -36.5223 -36.4277 -36.4277 -36.4277 -36.4277 -8.6456 -8.6456 -8.6456 -8.6456 -0.7240 -0.7240 -0.7240 -0.7240 1.7378 1.7378 1.7378 1.7378 1.8693 1.8693 1.8693 1.8693 3.1871 3.1871 3.1871 3.1871 8.3361 8.3361 8.3361 8.3361 10.2198 10.2198 10.2198 10.2198 k = 0.3250 0.5000-0.0000 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4278 -36.4278 -36.4278 -36.4278 -8.6405 -8.6405 -8.6405 -8.6405 -0.7376 -0.7376 -0.7376 -0.7376 1.7443 1.7443 1.7443 1.7443 1.8833 1.8833 1.8833 1.8833 3.1555 3.1555 3.1555 3.1555 8.2840 8.2840 8.2840 8.2840 10.2334 10.2334 10.2334 10.2334 k = 0.3375 0.5000-0.0000 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4278 -36.4278 -36.4278 -36.4278 -8.6356 -8.6356 -8.6356 -8.6356 -0.7512 -0.7512 -0.7512 -0.7512 1.7530 1.7530 1.7530 1.7530 1.8969 1.8969 1.8969 1.8969 3.1230 3.1230 3.1230 3.1230 8.2344 8.2344 8.2344 8.2344 10.2435 10.2435 10.2435 10.2435 k = 0.3500 0.5000-0.0000 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4278 -36.4278 -36.4278 -36.4278 -8.6309 -8.6309 -8.6309 -8.6309 -0.7645 -0.7645 -0.7645 -0.7645 1.7637 1.7637 1.7637 1.7637 1.9100 1.9100 1.9100 1.9100 3.0900 3.0900 3.0900 3.0900 8.1874 8.1874 8.1874 8.1874 10.2506 10.2506 10.2506 10.2506 k = 0.3625 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4278 -36.4278 -36.4278 -36.4278 -8.6264 -8.6264 -8.6264 -8.6264 -0.7774 -0.7774 -0.7774 -0.7774 1.7761 1.7761 1.7761 1.7761 1.9224 1.9224 1.9224 1.9224 3.0568 3.0568 3.0568 3.0568 8.1432 8.1432 8.1432 8.1432 10.2554 10.2554 10.2554 10.2554 k = 0.3750 0.5000-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4278 -36.4278 -36.4278 -36.4278 -8.6223 -8.6223 -8.6223 -8.6223 -0.7897 -0.7897 -0.7897 -0.7897 1.7899 1.7899 1.7899 1.7899 1.9342 1.9342 1.9342 1.9342 3.0238 3.0238 3.0238 3.0238 8.1022 8.1022 8.1022 8.1022 10.2585 10.2585 10.2585 10.2585 k = 0.3875 0.5000-0.0000 ( 4030 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4278 -36.4278 -36.4278 -36.4278 -8.6184 -8.6184 -8.6184 -8.6184 -0.8014 -0.8014 -0.8014 -0.8014 1.8047 1.8047 1.8047 1.8047 1.9451 1.9451 1.9451 1.9451 2.9915 2.9915 2.9915 2.9915 8.0645 8.0645 8.0645 8.0645 10.2601 10.2601 10.2601 10.2601 k = 0.4000 0.5000-0.0000 ( 4024 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4278 -36.4278 -36.4278 -36.4278 -8.6149 -8.6149 -8.6149 -8.6149 -0.8122 -0.8122 -0.8122 -0.8122 1.8201 1.8201 1.8201 1.8201 1.9551 1.9551 1.9551 1.9551 2.9602 2.9602 2.9602 2.9602 8.0302 8.0302 8.0302 8.0302 10.2609 10.2609 10.2609 10.2609 k = 0.4125 0.5000-0.0000 ( 4024 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6117 -8.6117 -8.6117 -8.6117 -0.8221 -0.8221 -0.8221 -0.8221 1.8356 1.8356 1.8356 1.8356 1.9642 1.9642 1.9642 1.9642 2.9306 2.9306 2.9306 2.9306 7.9996 7.9996 7.9996 7.9996 10.2609 10.2609 10.2609 10.2609 k = 0.4250 0.5000-0.0000 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6089 -8.6089 -8.6089 -8.6089 -0.8308 -0.8308 -0.8308 -0.8308 1.8507 1.8507 1.8507 1.8507 1.9722 1.9722 1.9722 1.9722 2.9033 2.9033 2.9033 2.9033 7.9727 7.9727 7.9727 7.9727 10.2606 10.2606 10.2606 10.2606 k = 0.4375 0.5000-0.0000 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6065 -8.6065 -8.6065 -8.6065 -0.8385 -0.8385 -0.8385 -0.8385 1.8649 1.8649 1.8649 1.8649 1.9791 1.9791 1.9791 1.9791 2.8787 2.8787 2.8787 2.8787 7.9498 7.9498 7.9498 7.9498 10.2600 10.2600 10.2600 10.2600 k = 0.4500 0.5000-0.0000 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6045 -8.6045 -8.6045 -8.6045 -0.8448 -0.8448 -0.8448 -0.8448 1.8775 1.8775 1.8775 1.8775 1.9849 1.9849 1.9849 1.9849 2.8575 2.8575 2.8575 2.8575 7.9309 7.9309 7.9309 7.9309 10.2593 10.2593 10.2593 10.2593 k = 0.4625 0.5000-0.0000 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6029 -8.6029 -8.6029 -8.6029 -0.8498 -0.8498 -0.8498 -0.8498 1.8880 1.8880 1.8880 1.8880 1.9894 1.9894 1.9894 1.9894 2.8402 2.8402 2.8402 2.8402 7.9161 7.9161 7.9161 7.9161 10.2587 10.2587 10.2587 10.2587 k = 0.4750 0.5000-0.0000 ( 4044 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6018 -8.6018 -8.6018 -8.6018 -0.8535 -0.8535 -0.8535 -0.8535 1.8960 1.8960 1.8960 1.8960 1.9926 1.9926 1.9926 1.9926 2.8274 2.8274 2.8274 2.8274 7.9054 7.9054 7.9054 7.9054 10.2582 10.2582 10.2582 10.2582 k = 0.4875 0.5000-0.0000 ( 4052 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6012 -8.6012 -8.6012 -8.6012 -0.8557 -0.8557 -0.8557 -0.8557 1.9010 1.9010 1.9010 1.9010 1.9946 1.9946 1.9946 1.9946 2.8196 2.8196 2.8196 2.8196 7.8990 7.8990 7.8990 7.8990 10.2579 10.2579 10.2579 10.2579 k = 0.5000 0.5000-0.0000 ( 4056 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6009 -8.6009 -8.6009 -8.6009 -0.8564 -0.8564 -0.8564 -0.8564 1.9026 1.9026 1.9026 1.9026 1.9952 1.9952 1.9952 1.9952 2.8169 2.8169 2.8169 2.8169 7.8969 7.8969 7.8969 7.8969 10.2578 10.2578 10.2578 10.2578 k = 0.5000 0.5000-0.0000 ( 4056 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6009 -8.6009 -8.6009 -8.6009 -0.8564 -0.8564 -0.8564 -0.8564 1.9026 1.9026 1.9026 1.9026 1.9952 1.9952 1.9952 1.9952 2.8169 2.8169 2.8169 2.8169 7.8969 7.8969 7.8969 7.8969 10.2578 10.2578 10.2578 10.2578 k = 0.4912 0.4912-0.0000 ( 4054 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6015 -8.6015 -8.6008 -8.6008 -0.8559 -0.8559 -0.8555 -0.8555 1.8986 1.8986 1.9034 1.9034 1.9932 1.9932 1.9960 1.9960 2.8178 2.8178 2.8213 2.8213 7.8979 7.8979 7.9001 7.9001 10.2568 10.2568 10.2590 10.2590 k = 0.4825 0.4825-0.0000 ( 4042 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6032 -8.6032 -8.6005 -8.6005 -0.8544 -0.8544 -0.8526 -0.8526 1.8867 1.8867 1.9056 1.9056 1.9872 1.9872 1.9981 1.9981 2.8205 2.8205 2.8340 2.8340 7.9009 7.9009 7.9097 7.9097 10.2538 10.2538 10.2627 10.2627 k = 0.4737 0.4737-0.0000 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6060 -8.6060 -8.5999 -8.5999 -0.8520 -0.8520 -0.8478 -0.8478 1.8677 1.8677 1.9093 1.9093 1.9773 1.9773 2.0017 2.0017 2.8249 2.8249 2.8543 2.8543 7.9060 7.9060 7.9255 7.9255 10.2490 10.2490 10.2688 10.2688 k = 0.4649 0.4649-0.0000 ( 4030 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6098 -8.6098 -8.5991 -8.5991 -0.8485 -0.8485 -0.8411 -0.8411 1.8425 1.8425 1.9145 1.9145 1.9635 1.9635 2.0066 2.0066 2.8309 2.8309 2.8812 2.8812 7.9130 7.9130 7.9476 7.9476 10.2423 10.2423 10.2774 10.2774 k = 0.4561 0.4561-0.0000 ( 4030 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6148 -8.6148 -8.5981 -8.5981 -0.8441 -0.8441 -0.8325 -0.8325 1.8124 1.8124 1.9211 1.9211 1.9460 1.9460 2.0130 2.0130 2.8386 2.8386 2.9135 2.9135 7.9221 7.9221 7.9756 7.9756 10.2339 10.2339 10.2885 10.2885 k = 0.4474 0.4474-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5223 -36.5223 -36.4279 -36.4279 -36.4278 -36.4278 -8.6209 -8.6209 -8.5968 -8.5968 -0.8386 -0.8386 -0.8220 -0.8220 1.7784 1.7784 1.9248 1.9248 1.9294 1.9294 2.0208 2.0208 2.8478 2.8478 2.9500 2.9500 7.9331 7.9331 8.0094 8.0094 10.2240 10.2240 10.3022 10.3022 k = 0.4386 0.4386-0.0000 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5224 -36.5224 -36.5223 -36.5223 -36.4279 -36.4279 -36.4278 -36.4278 -8.6280 -8.6280 -8.5954 -8.5954 -0.8321 -0.8321 -0.8096 -0.8096 1.7415 1.7415 1.9005 1.9005 1.9389 1.9389 2.0299 2.0299 2.8584 2.8584 2.9896 2.9896 7.9461 7.9461 8.0488 8.0488 10.2128 10.2128 10.3186 10.3186 k = 0.4298 0.4298-0.0000 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5224 -36.5224 -36.5223 -36.5223 -36.4279 -36.4279 -36.4278 -36.4278 -8.6361 -8.6361 -8.5938 -8.5938 -0.8246 -0.8246 -0.7954 -0.7954 1.7027 1.7027 1.8729 1.8729 1.9499 1.9499 2.0405 2.0405 2.8703 2.8703 3.0314 3.0314 7.9611 7.9611 8.0934 8.0934 10.2005 10.2005 10.3378 10.3378 k = 0.4211 0.4211-0.0000 ( 4019 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5224 -36.5224 -36.5223 -36.5223 -36.4279 -36.4279 -36.4278 -36.4278 -8.6452 -8.6452 -8.5919 -8.5919 -0.8160 -0.8160 -0.7793 -0.7793 1.6625 1.6625 1.8422 1.8422 1.9623 1.9623 2.0523 2.0523 2.8834 2.8834 3.0746 3.0746 7.9780 7.9780 8.1429 8.1429 10.1874 10.1874 10.3598 10.3598 k = 0.4123 0.4123-0.0000 ( 4021 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7795 -36.7795 -36.5224 -36.5224 -36.5223 -36.5223 -36.4279 -36.4279 -36.4278 -36.4278 -8.6553 -8.6553 -8.5899 -8.5899 -0.8063 -0.8063 -0.7614 -0.7614 1.6217 1.6217 1.8090 1.8090 1.9761 1.9761 2.0655 2.0655 2.8974 2.8974 3.1185 3.1185 7.9969 7.9969 8.1970 8.1970 10.1736 10.1736 10.3847 10.3847 k = 0.4035 0.4035-0.0000 ( 4021 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7795 -36.7795 -36.5224 -36.5224 -36.5223 -36.5223 -36.4278 -36.4278 -36.4278 -36.4278 -8.6663 -8.6663 -8.5877 -8.5877 -0.7955 -0.7955 -0.7416 -0.7416 1.5806 1.5806 1.7731 1.7731 1.9914 1.9914 2.0800 2.0800 2.9123 2.9123 3.1624 3.1624 8.0176 8.0176 8.2552 8.2552 10.1596 10.1596 10.4126 10.4126 k = 0.3947 0.3947-0.0000 ( 4031 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7799 -36.7799 -36.7795 -36.7795 -36.5225 -36.5225 -36.5222 -36.5222 -36.4278 -36.4278 -36.4277 -36.4277 -8.6782 -8.6782 -8.5853 -8.5853 -0.7835 -0.7835 -0.7200 -0.7200 1.5398 1.5398 1.7349 1.7349 2.0080 2.0080 2.0958 2.0958 2.9278 2.9278 3.2058 3.2058 8.0402 8.0402 8.3172 8.3172 10.1456 10.1456 10.4437 10.4437 k = 0.3860 0.3860-0.0000 ( 4035 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7799 -36.7799 -36.7794 -36.7794 -36.5225 -36.5225 -36.5222 -36.5222 -36.4278 -36.4278 -36.4277 -36.4277 -8.6909 -8.6909 -8.5828 -8.5828 -0.7704 -0.7704 -0.6967 -0.6967 1.4995 1.4995 1.6947 1.6947 2.0260 2.0260 2.1129 2.1129 2.9437 2.9437 3.2483 3.2483 8.0647 8.0647 8.3826 8.3826 10.1319 10.1319 10.4780 10.4780 k = 0.3772 0.3772-0.0000 ( 4043 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7799 -36.7799 -36.7794 -36.7794 -36.5225 -36.5225 -36.5222 -36.5222 -36.4278 -36.4278 -36.4277 -36.4277 -8.7044 -8.7044 -8.5802 -8.5802 -0.7561 -0.7561 -0.6716 -0.6716 1.4600 1.4600 1.6528 1.6528 2.0452 2.0452 2.1312 2.1312 2.9599 2.9599 3.2894 3.2894 8.0910 8.0910 8.4509 8.4509 10.1188 10.1188 10.5157 10.5157 k = 0.3684 0.3684-0.0000 ( 4039 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7799 -36.7799 -36.7794 -36.7794 -36.5225 -36.5225 -36.5222 -36.5222 -36.4278 -36.4278 -36.4277 -36.4277 -8.7186 -8.7186 -8.5774 -8.5774 -0.7406 -0.7406 -0.6448 -0.6448 1.4215 1.4215 1.6093 1.6093 2.0659 2.0659 2.1508 2.1508 2.9762 2.9762 3.3289 3.3289 8.1190 8.1190 8.5217 8.5217 10.1067 10.1067 10.5570 10.5570 k = 0.3596 0.3596-0.0000 ( 4035 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7799 -36.7799 -36.7793 -36.7793 -36.5225 -36.5225 -36.5221 -36.5221 -36.4278 -36.4278 -36.4276 -36.4276 -8.7335 -8.7335 -8.5745 -8.5745 -0.7238 -0.7238 -0.6162 -0.6162 1.3843 1.3843 1.5645 1.5645 2.0877 2.0877 2.1715 2.1715 2.9923 2.9923 3.3664 3.3664 8.1488 8.1488 8.5945 8.5945 10.0959 10.0959 10.6018 10.6018 k = 0.3509 0.3509-0.0000 ( 4035 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7793 -36.7793 -36.5225 -36.5225 -36.5221 -36.5221 -36.4278 -36.4278 -36.4276 -36.4276 -8.7491 -8.7491 -8.5715 -8.5715 -0.7058 -0.7058 -0.5861 -0.5861 1.3485 1.3485 1.5186 1.5186 2.1109 2.1109 2.1934 2.1934 3.0080 3.0080 3.4016 3.4016 8.1803 8.1803 8.6688 8.6688 10.0866 10.0866 10.6503 10.6503 k = 0.3421 0.3421-0.0000 ( 4031 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7792 -36.7792 -36.5225 -36.5225 -36.5220 -36.5220 -36.4277 -36.4277 -36.4276 -36.4276 -8.7653 -8.7653 -8.5684 -8.5684 -0.6865 -0.6865 -0.5542 -0.5542 1.3142 1.3142 1.4718 1.4718 2.1352 2.1352 2.2163 2.2163 3.0230 3.0230 3.4343 3.4343 8.2134 8.2134 8.7442 8.7442 10.0791 10.0791 10.6040 10.6040 k = 0.3333 0.3333-0.0000 ( 4027 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7792 -36.7792 -36.5225 -36.5225 -36.5220 -36.5220 -36.4277 -36.4277 -36.4276 -36.4276 -8.7820 -8.7820 -8.5652 -8.5652 -0.6660 -0.6660 -0.5209 -0.5209 1.2816 1.2816 1.4243 1.4243 2.1607 2.1607 2.2403 2.2403 3.0373 3.0373 3.4642 3.4642 8.2481 8.2481 8.8202 8.8202 10.0738 10.0738 10.4684 10.4684 k = 0.3246 0.3246-0.0000 ( 4029 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7799 -36.7799 -36.7792 -36.7792 -36.5225 -36.5225 -36.5220 -36.5220 -36.4277 -36.4277 -36.4275 -36.4275 -8.7992 -8.7992 -8.5620 -8.5620 -0.6442 -0.6442 -0.4859 -0.4859 1.2507 1.2507 1.3764 1.3764 2.1874 2.1874 2.2654 2.2654 3.0505 3.0505 3.4912 3.4912 8.2844 8.2844 8.8961 8.8961 10.0707 10.0707 10.3315 10.3315 k = 0.3158 0.3158-0.0000 ( 4031 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7791 -36.7791 -36.5226 -36.5226 -36.5220 -36.5220 -36.4277 -36.4277 -36.4275 -36.4275 -8.8168 -8.8168 -8.5587 -8.5587 -0.6211 -0.6211 -0.4495 -0.4495 1.2215 1.2215 1.3281 1.3281 2.2151 2.2151 2.2914 2.2914 3.0624 3.0624 3.5152 3.5152 8.3222 8.3222 8.9717 8.9717 10.0703 10.0703 10.1935 10.1935 k = 0.3070 0.3070-0.0000 ( 4015 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7790 -36.7790 -36.5225 -36.5225 -36.5219 -36.5219 -36.4276 -36.4276 -36.4274 -36.4274 -8.8347 -8.8347 -8.5554 -8.5554 -0.5966 -0.5966 -0.4116 -0.4116 1.1943 1.1943 1.2797 1.2797 2.2439 2.2439 2.3183 2.3183 3.0729 3.0729 3.5361 3.5361 8.3614 8.3614 9.0463 9.0463 10.0546 10.0546 10.0726 10.0726 k = 0.2982 0.2982-0.0000 ( 4017 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7790 -36.7790 -36.5226 -36.5226 -36.5218 -36.5218 -36.4276 -36.4276 -36.4274 -36.4274 -8.8530 -8.8530 -8.5521 -8.5521 -0.5709 -0.5709 -0.3724 -0.3724 1.1689 1.1689 1.2314 1.2314 2.2737 2.2737 2.3461 2.3461 3.0817 3.0817 3.5537 3.5537 8.4019 8.4019 9.1194 9.1194 9.9151 9.9151 10.0777 10.0777 k = 0.2895 0.2895-0.0000 ( 4021 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7789 -36.7789 -36.5226 -36.5226 -36.5218 -36.5218 -36.4276 -36.4276 -36.4274 -36.4274 -8.8715 -8.8715 -8.5488 -8.5488 -0.5439 -0.5439 -0.3318 -0.3318 1.1454 1.1454 1.1832 1.1832 2.3045 2.3045 2.3747 2.3747 3.0886 3.0886 3.5681 3.5681 8.4437 8.4437 9.1905 9.1905 9.7753 9.7753 10.0859 10.0859 k = 0.2807 0.2807-0.0000 ( 4009 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7789 -36.7789 -36.5225 -36.5225 -36.5218 -36.5218 -36.4275 -36.4275 -36.4273 -36.4273 -8.8901 -8.8901 -8.5454 -8.5454 -0.5156 -0.5156 -0.2900 -0.2900 1.1238 1.1238 1.1355 1.1355 2.3362 2.3362 2.4041 2.4041 3.0934 3.0934 3.5794 3.5794 8.4867 8.4867 9.2591 9.2591 9.6353 9.6353 10.0971 10.0971 k = 0.2719 0.2719-0.0000 ( 4005 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7788 -36.7788 -36.5225 -36.5225 -36.5217 -36.5217 -36.4275 -36.4275 -36.4273 -36.4273 -8.9089 -8.9089 -8.5421 -8.5421 -0.4860 -0.4860 -0.2470 -0.2470 1.0878 1.0878 1.1045 1.1045 2.3687 2.3687 2.4341 2.4341 3.0960 3.0960 3.5875 3.5875 8.5308 8.5308 9.3248 9.3248 9.4954 9.4954 10.1114 10.1114 k = 0.2632 0.2632-0.0000 ( 4009 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7788 -36.7788 -36.5226 -36.5226 -36.5217 -36.5217 -36.4275 -36.4275 -36.4272 -36.4272 -8.9278 -8.9278 -8.5389 -8.5389 -0.4552 -0.4552 -0.2029 -0.2029 1.0411 1.0411 1.0868 1.0868 2.4020 2.4020 2.4647 2.4647 3.0962 3.0962 3.5925 3.5925 8.5760 8.5760 9.3557 9.3557 9.3872 9.3872 10.1288 10.1288 k = 0.2544 0.2544-0.0000 ( 4007 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7800 -36.7800 -36.7787 -36.7787 -36.5226 -36.5226 -36.5217 -36.5217 -36.4275 -36.4275 -36.4272 -36.4272 -8.9467 -8.9467 -8.5356 -8.5356 -0.4231 -0.4231 -0.1578 -0.1578 0.9949 0.9949 1.0710 1.0710 2.4360 2.4360 2.4959 2.4959 3.0939 3.0939 3.5945 3.5945 8.6220 8.6220 9.2167 9.2167 9.4456 9.4456 10.1492 10.1492 k = 0.2456 0.2456-0.0000 ( 4005 PWs) bands (ev): -69.8264 -69.8264 -69.8262 -69.8262 -36.7800 -36.7800 -36.7787 -36.7787 -36.5226 -36.5226 -36.5216 -36.5216 -36.4274 -36.4274 -36.4271 -36.4271 -8.9655 -8.9655 -8.5325 -8.5325 -0.3897 -0.3897 -0.1118 -0.1118 0.9496 0.9496 1.0571 1.0571 2.4707 2.4707 2.5275 2.5275 3.0888 3.0888 3.5938 3.5938 8.6689 8.6689 9.0784 9.0784 9.4999 9.4999 10.1724 10.1724 k = 0.2368 0.2368-0.0000 ( 4009 PWs) bands (ev): -69.8264 -69.8264 -69.8262 -69.8262 -36.7800 -36.7800 -36.7786 -36.7786 -36.5226 -36.5226 -36.5216 -36.5216 -36.4274 -36.4274 -36.4271 -36.4271 -8.9843 -8.9843 -8.5293 -8.5293 -0.3552 -0.3552 -0.0649 -0.0649 0.9052 0.9052 1.0450 1.0450 2.5059 2.5059 2.5594 2.5594 3.0811 3.0811 3.5904 3.5904 8.7165 8.7165 8.9410 8.9410 9.5498 9.5498 10.1983 10.1983 k = 0.2281 0.2281-0.0000 ( 4017 PWs) bands (ev): -69.8264 -69.8264 -69.8262 -69.8262 -36.7801 -36.7801 -36.7786 -36.7786 -36.5226 -36.5226 -36.5216 -36.5216 -36.4274 -36.4274 -36.4271 -36.4271 -9.0028 -9.0028 -8.5263 -8.5263 -0.3195 -0.3195 -0.0174 -0.0174 0.8617 0.8617 1.0347 1.0347 2.5417 2.5417 2.5917 2.5917 3.0705 3.0705 3.5847 3.5847 8.7647 8.7647 8.8049 8.8049 9.5948 9.5948 10.2267 10.2267 k = 0.2193 0.2193-0.0000 ( 3997 PWs) bands (ev): -69.8264 -69.8264 -69.8262 -69.8262 -36.7801 -36.7801 -36.7785 -36.7785 -36.5226 -36.5226 -36.5215 -36.5215 -36.4274 -36.4274 -36.4270 -36.4270 -9.0212 -9.0212 -8.5234 -8.5234 -0.2826 -0.2826 0.0308 0.0308 0.8194 0.8194 1.0260 1.0260 2.5779 2.5779 2.6242 2.6242 3.0571 3.0571 3.5767 3.5767 8.6701 8.6701 8.8134 8.8134 9.6350 9.6350 10.2573 10.2573 k = 0.2105 0.2105-0.0000 ( 3997 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7784 -36.7784 -36.5226 -36.5226 -36.5215 -36.5215 -36.4273 -36.4273 -36.4270 -36.4270 -9.0393 -9.0393 -8.5205 -8.5205 -0.2447 -0.2447 0.0794 0.0794 0.7781 0.7781 1.0189 1.0189 2.6144 2.6144 2.6567 2.6567 3.0408 3.0408 3.5668 3.5668 8.5370 8.5370 8.8623 8.8623 9.6700 9.6700 10.2365 10.2365 k = 0.2018 0.2018-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7784 -36.7784 -36.5226 -36.5226 -36.5214 -36.5214 -36.4273 -36.4273 -36.4269 -36.4269 -9.0570 -9.0570 -8.5177 -8.5177 -0.2057 -0.2057 0.1284 0.1284 0.7381 0.7381 1.0133 1.0133 2.6511 2.6511 2.6892 2.6892 3.0217 3.0217 3.5551 3.5551 8.4059 8.4059 8.9114 8.9114 9.7000 9.7000 10.1656 10.1656 k = 0.1930 0.1930-0.0000 ( 4005 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7783 -36.7783 -36.5226 -36.5226 -36.5214 -36.5214 -36.4273 -36.4273 -36.4269 -36.4269 -9.0744 -9.0744 -8.5150 -8.5150 -0.1656 -0.1656 0.1776 0.1776 0.6994 0.6994 1.0090 1.0090 2.6880 2.6880 2.7217 2.7217 2.9999 2.9999 3.5419 3.5419 8.2768 8.2768 8.9606 8.9606 9.7250 9.7250 10.0964 10.0964 k = 0.1842 0.1842-0.0000 ( 4001 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7783 -36.7783 -36.5226 -36.5226 -36.5214 -36.5214 -36.4273 -36.4273 -36.4269 -36.4269 -9.0914 -9.0914 -8.5125 -8.5125 -0.1246 -0.1246 0.2268 0.2268 0.6621 0.6621 1.0059 1.0059 2.7249 2.7249 2.7539 2.7539 2.9755 2.9755 3.5274 3.5274 8.1502 8.1502 9.0097 9.0097 9.7451 9.7451 10.0289 10.0289 k = 0.1754 0.1754-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7801 -36.7801 -36.7782 -36.7782 -36.5227 -36.5227 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1079 -9.1079 -8.5100 -8.5100 -0.0828 -0.0828 0.2759 0.2759 0.6261 0.6261 1.0038 1.0038 2.7617 2.7617 2.7858 2.7858 2.9487 2.9487 3.5117 3.5117 8.0263 8.0263 9.0584 9.0584 9.7605 9.7605 9.9633 9.9633 k = 0.1667 0.1667-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7782 -36.7782 -36.5227 -36.5227 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1239 -9.1239 -8.5077 -8.5077 -0.0401 -0.0401 0.3248 0.3248 0.5917 0.5917 1.0026 1.0026 2.7983 2.7983 2.8173 2.8173 2.9196 2.9196 3.4952 3.4952 7.9052 7.9052 9.1067 9.1067 9.7715 9.7715 9.8997 9.8997 k = 0.1579 0.1579-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7781 -36.7781 -36.5227 -36.5227 -36.5213 -36.5213 -36.4272 -36.4272 -36.4268 -36.4268 -9.1393 -9.1393 -8.5054 -8.5054 0.0033 0.0033 0.3731 0.3731 0.5587 0.5587 1.0021 1.0021 2.8345 2.8345 2.8483 2.8483 2.8887 2.8887 3.4780 3.4780 7.7874 7.7874 9.1542 9.1542 9.7783 9.7783 9.8383 9.8383 k = 0.1491 0.1491-0.0000 ( 4011 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7781 -36.7781 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1541 -9.1541 -8.5033 -8.5033 0.0474 0.0474 0.4207 0.4207 0.5273 0.5273 1.0021 1.0021 2.8561 2.8561 2.8700 2.8700 2.8788 2.8788 3.4603 3.4603 7.6731 7.6731 9.2010 9.2010 9.7779 9.7779 9.7825 9.7825 k = 0.1404 0.1404-0.0000 ( 4011 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1684 -9.1684 -8.5014 -8.5014 0.0921 0.0921 0.4675 0.4675 0.4975 0.4975 1.0023 1.0023 2.8222 2.8222 2.9041 2.9041 2.9094 2.9094 3.4422 3.4422 7.5625 7.5625 9.2466 9.2466 9.7220 9.7220 9.7815 9.7815 k = 0.1316 0.1316-0.0000 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1819 -9.1819 -8.4995 -8.4995 0.1372 0.1372 0.4693 0.4693 0.5131 0.5131 1.0026 1.0026 2.7873 2.7873 2.9346 2.9346 2.9418 2.9418 3.4240 3.4240 7.4561 7.4561 9.2910 9.2910 9.6678 9.6678 9.7784 9.7784 k = 0.1228 0.1228-0.0000 ( 4021 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7780 -36.7780 -36.5228 -36.5228 -36.5212 -36.5212 -36.4272 -36.4272 -36.4267 -36.4267 -9.1947 -9.1947 -8.4978 -8.4978 0.1826 0.1826 0.4428 0.4428 0.5574 0.5574 1.0026 1.0026 2.7519 2.7519 2.9625 2.9625 2.9750 2.9750 3.4058 3.4058 7.3540 7.3540 9.3340 9.3340 9.6161 9.6161 9.7730 9.7730 k = 0.1140 0.1140-0.0000 ( 4013 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5228 -36.5228 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2068 -9.2068 -8.4961 -8.4961 0.2281 0.2281 0.4180 0.4180 0.6001 0.6001 1.0022 1.0022 2.7163 2.7163 2.9888 2.9888 3.0074 3.0074 3.3878 3.3878 7.2568 7.2568 9.3752 9.3752 9.5673 9.5673 9.7656 9.7656 k = 0.1053 0.1053-0.0000 ( 4013 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5228 -36.5228 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2181 -9.2181 -8.4947 -8.4947 0.2737 0.2737 0.3949 0.3949 0.6410 0.6410 1.0011 1.0011 2.6809 2.6809 3.0137 3.0137 3.0386 3.0386 3.3701 3.3701 7.1646 7.1646 9.4145 9.4145 9.5215 9.5215 9.7568 9.7568 k = 0.0965 0.0965-0.0000 ( 4021 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7779 -36.7779 -36.5228 -36.5228 -36.5211 -36.5211 -36.4271 -36.4271 -36.4266 -36.4266 -9.2286 -9.2286 -8.4933 -8.4933 0.3191 0.3191 0.3736 0.3736 0.6799 0.6799 0.9989 0.9989 2.6462 2.6462 3.0371 3.0371 3.0685 3.0685 3.3530 3.3530 7.0779 7.0779 9.4516 9.4516 9.4787 9.4787 9.7468 9.7468 k = 0.0877 0.0877-0.0000 ( 4013 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5228 -36.5228 -36.5211 -36.5211 -36.4271 -36.4271 -36.4265 -36.4265 -9.2383 -9.2383 -8.4921 -8.4921 0.3541 0.3541 0.3641 0.3641 0.7164 0.7164 0.9955 0.9955 2.6127 2.6127 3.0590 3.0590 3.0967 3.0967 3.3366 3.3366 6.9970 6.9970 9.4390 9.4390 9.4866 9.4866 9.7362 9.7362 k = 0.0789 0.0789-0.0000 ( 4017 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2472 -9.2472 -8.4910 -8.4910 0.3363 0.3363 0.4085 0.4085 0.7503 0.7503 0.9907 0.9907 2.5807 2.5807 3.0792 3.0792 3.1231 3.1231 3.3211 3.3211 6.9224 6.9224 9.4028 9.4028 9.5188 9.5188 9.7253 9.7253 k = 0.0702 0.0702-0.0000 ( 4013 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2551 -9.2551 -8.4900 -8.4900 0.3205 0.3205 0.4519 0.4519 0.7815 0.7815 0.9842 0.9842 2.5508 2.5508 3.0975 3.0975 3.1476 3.1476 3.3066 3.3066 6.8543 6.8543 9.3700 9.3700 9.5483 9.5483 9.7146 9.7146 k = 0.0614 0.0614-0.0000 ( 4009 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2622 -9.2622 -8.4891 -8.4891 0.3064 0.3064 0.4940 0.4940 0.8097 0.8097 0.9761 0.9761 2.5232 2.5232 3.1140 3.1140 3.1697 3.1697 3.2934 3.2934 6.7931 6.7931 9.3408 9.3408 9.5749 9.5749 9.7043 9.7043 k = 0.0526 0.0526-0.0000 ( 4015 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4271 -36.4271 -36.4265 -36.4265 -9.2684 -9.2684 -8.4883 -8.4883 0.2941 0.2941 0.5343 0.5343 0.8346 0.8346 0.9662 0.9662 2.4984 2.4984 3.1285 3.1285 3.1894 3.1894 3.2815 3.2815 6.7392 6.7392 9.3152 9.3152 9.5983 9.5983 9.6947 9.6947 k = 0.0439 0.0439-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2736 -9.2736 -8.4877 -8.4877 0.2838 0.2838 0.5723 0.5723 0.8560 0.8560 0.9548 0.9548 2.4768 2.4768 3.1408 3.1408 3.2065 3.2065 3.2712 3.2712 6.6930 6.6930 9.2935 9.2935 9.6184 9.6184 9.6862 9.6862 k = 0.0351 0.0351-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4264 -36.4264 -9.2779 -9.2779 -8.4872 -8.4872 0.2753 0.2753 0.6071 0.6071 0.8738 0.8738 0.9422 0.9422 2.4587 2.4587 3.1511 3.1511 3.2208 3.2208 3.2626 3.2626 6.6548 6.6548 9.2755 9.2755 9.6351 9.6351 9.6789 9.6789 k = 0.0263 0.0263-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2813 -9.2813 -8.4868 -8.4868 0.2687 0.2687 0.6375 0.6375 0.8878 0.8878 0.9295 0.9295 2.4443 2.4443 3.1591 3.1591 3.2320 3.2320 3.2558 3.2558 6.6247 6.6247 9.2615 9.2615 9.6482 9.6482 9.6730 9.6730 k = 0.0175 0.0175-0.0000 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2837 -9.2837 -8.4865 -8.4865 0.2639 0.2639 0.6620 0.6620 0.8979 0.8979 0.9179 0.9179 2.4338 2.4338 3.1649 3.1649 3.2401 3.2401 3.2509 3.2509 6.6030 6.6030 9.2514 9.2514 9.6576 9.6576 9.6687 9.6687 k = 0.0088 0.0088-0.0000 ( 3999 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2852 -9.2852 -8.4863 -8.4863 0.2611 0.2611 0.6783 0.6783 0.9036 0.9036 0.9097 0.9097 2.4275 2.4275 3.1684 3.1684 3.2448 3.2448 3.2482 3.2482 6.5900 6.5900 9.2453 9.2453 9.6633 9.6633 9.6661 9.6661 k = 0.0000 0.0000 0.0000 ( 3995 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2857 -9.2857 -8.4863 -8.4863 0.2601 0.2601 0.6840 0.6840 0.9045 0.9045 0.9077 0.9077 2.4254 2.4254 3.1695 3.1695 3.2458 3.2458 3.2478 3.2478 6.5856 6.5856 9.2433 9.2433 9.6652 9.6652 9.6652 9.6652 k = 0.0000 0.0000 0.0000 ( 3995 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2857 -9.2857 -8.4863 -8.4863 0.2601 0.2601 0.6840 0.6840 0.9045 0.9045 0.9077 0.9077 2.4254 2.4254 3.1695 3.1695 3.2458 3.2458 3.2478 3.2478 6.5856 6.5856 9.2433 9.2433 9.6652 9.6652 9.6652 9.6652 k = 0.0000 0.0000 0.0122 ( 4003 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4265 -36.4265 -9.2852 -9.2852 -8.4867 -8.4867 0.2591 0.2591 0.6828 0.6828 0.9049 0.9049 0.9080 0.9080 2.4276 2.4276 3.1704 3.1704 3.2450 3.2450 3.2470 3.2470 6.5867 6.5867 9.2407 9.2407 9.6656 9.6656 9.6656 9.6656 k = 0.0000 0.0000 0.0245 ( 3999 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5209 -36.5209 -36.4270 -36.4270 -36.4264 -36.4264 -9.2837 -9.2837 -8.4881 -8.4881 0.2558 0.2558 0.6791 0.6791 0.9061 0.9061 0.9092 0.9092 2.4341 2.4341 3.1729 3.1729 3.2425 3.2425 3.2445 3.2445 6.5900 6.5900 9.2329 9.2329 9.6666 9.6666 9.6666 9.6666 k = 0.0000 0.0000 0.0367 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2813 -9.2813 -8.4904 -8.4904 0.2505 0.2505 0.6729 0.6729 0.9080 0.9080 0.9110 0.9110 2.4448 2.4448 3.1771 3.1771 3.2385 3.2385 3.2405 3.2405 6.5955 6.5955 9.2199 9.2199 9.6684 9.6684 9.6684 9.6684 k = 0.0000 0.0000 0.0490 ( 4003 PWs) bands (ev): -69.8266 -69.8266 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4264 -36.4264 -9.2779 -9.2779 -8.4937 -8.4937 0.2433 0.2433 0.6644 0.6644 0.9106 0.9106 0.9136 0.9136 2.4596 2.4596 3.1828 3.1828 3.2330 3.2330 3.2349 3.2349 6.6033 6.6033 9.2020 9.2020 9.6708 9.6708 9.6708 9.6708 k = 0.0000 0.0000 0.0612 ( 4011 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5228 -36.5228 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2736 -9.2736 -8.4978 -8.4978 0.2343 0.2343 0.6535 0.6535 0.9139 0.9139 0.9170 0.9170 2.4782 2.4782 3.1900 3.1900 3.2260 3.2260 3.2278 3.2278 6.6132 6.6132 9.1791 9.1791 9.6738 9.6738 9.6739 9.6739 k = 0.0000 0.0000 0.0735 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5227 -36.5227 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2683 -9.2683 -8.5029 -8.5029 0.2237 0.2237 0.6406 0.6406 0.9180 0.9180 0.9210 0.9210 2.5005 2.5005 3.1982 3.1982 3.2178 3.2178 3.2192 3.2192 6.6253 6.6253 9.1515 9.1515 9.6775 9.6775 9.6776 9.6776 k = 0.0000 0.0000 0.0857 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7777 -36.7777 -36.5227 -36.5227 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2622 -9.2622 -8.5089 -8.5089 0.2118 0.2118 0.6256 0.6256 0.9227 0.9227 0.9257 0.9257 2.5260 2.5260 3.2044 3.2044 3.2093 3.2093 3.2116 3.2116 6.6396 6.6396 9.1195 9.1195 9.6817 9.6817 9.6818 9.6818 k = 0.0000 0.0000 0.0979 ( 4015 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5227 -36.5227 -36.5210 -36.5210 -36.4270 -36.4270 -36.4265 -36.4265 -9.2550 -9.2550 -8.5157 -8.5157 0.1988 0.1988 0.6087 0.6087 0.9281 0.9281 0.9310 0.9310 2.5545 2.5545 3.1954 3.1954 3.1980 3.1980 3.2201 3.2201 6.6560 6.6560 9.0833 9.0833 9.6864 9.6864 9.6866 9.6866 k = 0.0000 0.0000 0.1102 ( 4023 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7803 -36.7803 -36.7778 -36.7778 -36.5228 -36.5228 -36.5211 -36.5211 -36.4270 -36.4270 -36.4265 -36.4265 -9.2470 -9.2470 -8.5235 -8.5235 0.1851 0.1851 0.5901 0.5901 0.9341 0.9341 0.9369 0.9369 2.5857 2.5857 3.1833 3.1833 3.1856 3.1856 3.2316 3.2316 6.6747 6.6747 9.0431 9.0431 9.6916 9.6916 9.6918 9.6918 k = 0.0000 0.0000 0.1224 ( 4019 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7778 -36.7778 -36.5227 -36.5227 -36.5211 -36.5211 -36.4270 -36.4270 -36.4265 -36.4265 -9.2382 -9.2382 -8.5320 -8.5320 0.1707 0.1707 0.5700 0.5700 0.9406 0.9406 0.9434 0.9434 2.6192 2.6192 3.1699 3.1699 3.1721 3.1721 3.2440 3.2440 6.6954 6.6954 8.9992 8.9992 9.6973 9.6973 9.6974 9.6974 k = 0.0000 0.0000 0.1347 ( 4019 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7779 -36.7779 -36.5227 -36.5227 -36.5211 -36.5211 -36.4270 -36.4270 -36.4265 -36.4265 -9.2284 -9.2284 -8.5414 -8.5414 0.1561 0.1561 0.5485 0.5485 0.9477 0.9477 0.9505 0.9505 2.6545 2.6545 3.1555 3.1555 3.1576 3.1576 3.2570 3.2570 6.7183 6.7183 8.9519 8.9519 9.7033 9.7033 9.7034 9.7034 k = 0.0000 0.0000 0.1469 ( 4027 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7779 -36.7779 -36.5227 -36.5227 -36.5211 -36.5211 -36.4270 -36.4270 -36.4265 -36.4265 -9.2179 -9.2179 -8.5517 -8.5517 0.1415 0.1415 0.5258 0.5258 0.9552 0.9552 0.9579 0.9579 2.6915 2.6915 3.1403 3.1403 3.1423 3.1423 3.2703 3.2703 6.7434 6.7434 8.9016 8.9016 9.7095 9.7095 9.7097 9.7097 k = 0.0000 0.0000 0.1592 ( 4027 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7802 -36.7802 -36.7779 -36.7779 -36.5227 -36.5227 -36.5212 -36.5212 -36.4270 -36.4270 -36.4265 -36.4265 -9.2065 -9.2065 -8.5627 -8.5627 0.1270 0.1270 0.5021 0.5021 0.9631 0.9631 0.9658 0.9658 2.7297 2.7297 3.1243 3.1243 3.1263 3.1263 3.2837 3.2837 6.7705 6.7705 8.8484 8.8484 9.7160 9.7160 9.7162 9.7162 k = 0.0000 0.0000 0.1714 ( 4027 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7801 -36.7801 -36.7780 -36.7780 -36.5227 -36.5227 -36.5212 -36.5212 -36.4270 -36.4270 -36.4265 -36.4265 -9.1943 -9.1943 -8.5746 -8.5746 0.1130 0.1130 0.4776 0.4776 0.9714 0.9714 0.9740 0.9740 2.7689 2.7689 3.1078 3.1078 3.1097 3.1097 3.2971 3.2971 6.7997 6.7997 8.7928 8.7928 9.7226 9.7226 9.7229 9.7229 k = 0.0000 0.0000 0.1836 ( 4019 PWs) bands (ev): -69.8265 -69.8265 -69.8262 -69.8262 -36.7800 -36.7800 -36.7780 -36.7780 -36.5226 -36.5226 -36.5212 -36.5212 -36.4270 -36.4270 -36.4265 -36.4265 -9.1814 -9.1814 -8.5871 -8.5871 0.0996 0.0996 0.4525 0.4525 0.9800 0.9800 0.9825 0.9825 2.8086 2.8086 3.0909 3.0909 3.0928 3.0928 3.3103 3.3103 6.8310 6.8310 8.7350 8.7350 9.7294 9.7294 9.7296 9.7296 k = 0.0000 0.0000 0.1959 ( 4011 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7800 -36.7800 -36.7781 -36.7781 -36.5226 -36.5226 -36.5212 -36.5212 -36.4270 -36.4270 -36.4266 -36.4266 -9.1677 -9.1677 -8.6004 -8.6004 0.0870 0.0870 0.4269 0.4269 0.9887 0.9887 0.9911 0.9911 2.8485 2.8485 3.0738 3.0738 3.0756 3.0756 3.3230 3.3230 6.8643 6.8643 8.6752 8.6752 9.7361 9.7361 9.7364 9.7364 k = 0.0000 0.0000 0.2081 ( 4015 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7800 -36.7800 -36.7781 -36.7781 -36.5226 -36.5226 -36.5212 -36.5212 -36.4270 -36.4270 -36.4266 -36.4266 -9.1534 -9.1534 -8.6144 -8.6144 0.0753 0.0753 0.4010 0.4010 0.9976 0.9976 0.9999 0.9999 2.8885 2.8885 3.0565 3.0565 3.0583 3.0583 3.3350 3.3350 6.8996 6.8996 8.6138 8.6138 9.7429 9.7429 9.7432 9.7432 k = 0.0000 0.0000 0.2204 ( 4015 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7799 -36.7799 -36.7782 -36.7782 -36.5225 -36.5225 -36.5213 -36.5213 -36.4269 -36.4269 -36.4266 -36.4266 -9.1384 -9.1384 -8.6291 -8.6291 0.0648 0.0648 0.3751 0.3751 1.0065 1.0065 1.0087 1.0087 2.9281 2.9281 3.0394 3.0394 3.0410 3.0410 3.3463 3.3463 6.9369 6.9369 8.5510 8.5510 9.7495 9.7495 9.7498 9.7498 k = 0.0000 0.0000 0.2326 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7798 -36.7798 -36.7782 -36.7782 -36.5225 -36.5225 -36.5213 -36.5213 -36.4269 -36.4269 -36.4266 -36.4266 -9.1228 -9.1228 -8.6444 -8.6444 0.0555 0.0555 0.3492 0.3492 1.0154 1.0154 1.0175 1.0175 2.9672 2.9672 3.0225 3.0225 3.0241 3.0241 3.3566 3.3566 6.9762 6.9762 8.4871 8.4871 9.7560 9.7560 9.7563 9.7563 k = 0.0000 0.0000 0.2449 ( 4007 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7798 -36.7798 -36.7783 -36.7783 -36.5224 -36.5224 -36.5214 -36.5214 -36.4269 -36.4269 -36.4266 -36.4266 -9.1066 -9.1066 -8.6603 -8.6603 0.0476 0.0476 0.3235 0.3235 1.0242 1.0242 1.0261 1.0261 3.0049 3.0049 3.0060 3.0060 3.0081 3.0081 3.3657 3.3657 7.0174 7.0174 8.4223 8.4223 9.7622 9.7622 9.7625 9.7625 k = 0.0000 0.0000 0.2571 ( 4015 PWs) bands (ev): -69.8265 -69.8265 -69.8263 -69.8263 -36.7797 -36.7797 -36.7784 -36.7784 -36.5224 -36.5224 -36.5214 -36.5214 -36.4269 -36.4269 -36.4266 -36.4266 -9.0899 -9.0899 -8.6767 -8.6767 0.0411 0.0411 0.2982 0.2982 1.0327 1.0327 1.0345 1.0345 2.9901 2.9901 2.9914 2.9914 3.0427 3.0427 3.3735 3.3735 7.0604 7.0604 8.3568 8.3568 9.7682 9.7682 9.7685 9.7685 k = 0.0000 0.0000 0.2693 ( 3991 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7796 -36.7796 -36.7784 -36.7784 -36.5223 -36.5223 -36.5214 -36.5214 -36.4269 -36.4269 -36.4266 -36.4266 -9.0726 -9.0726 -8.6936 -8.6936 0.0362 0.0362 0.2733 0.2733 1.0409 1.0409 1.0426 1.0426 2.9749 2.9749 2.9762 2.9762 3.0788 3.0788 3.3798 3.3798 7.1053 7.1053 8.2908 8.2908 9.7739 9.7739 9.7742 9.7742 k = 0.0000 0.0000 0.2816 ( 3975 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7796 -36.7796 -36.7784 -36.7784 -36.5223 -36.5223 -36.5214 -36.5214 -36.4268 -36.4268 -36.4266 -36.4266 -9.0549 -9.0549 -8.7111 -8.7111 0.0328 0.0328 0.2492 0.2492 1.0487 1.0487 1.0503 1.0503 2.9607 2.9607 2.9618 2.9618 3.1133 3.1133 3.3845 3.3845 7.1520 7.1520 8.2247 8.2247 9.7792 9.7792 9.7795 9.7795 k = 0.0000 0.0000 0.2938 ( 3975 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7795 -36.7795 -36.7784 -36.7784 -36.5222 -36.5222 -36.5215 -36.5215 -36.4268 -36.4268 -36.4266 -36.4266 -9.0368 -9.0368 -8.7290 -8.7290 0.0311 0.0311 0.2258 0.2258 1.0560 1.0560 1.0574 1.0574 2.9474 2.9474 2.9485 2.9485 3.1463 3.1463 3.3876 3.3876 7.2005 7.2005 8.1584 8.1584 9.7840 9.7840 9.7843 9.7843 k = 0.0000 0.0000 0.3061 ( 3987 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7795 -36.7795 -36.7785 -36.7785 -36.5222 -36.5222 -36.5215 -36.5215 -36.4268 -36.4268 -36.4266 -36.4266 -9.0183 -9.0183 -8.7473 -8.7473 0.0311 0.0311 0.2033 0.2033 1.0627 1.0627 1.0640 1.0640 2.9353 2.9353 2.9363 2.9363 3.1775 3.1775 3.3887 3.3887 7.2506 7.2506 8.0922 8.0922 9.7884 9.7884 9.7886 9.7886 k = 0.0000 0.0000 0.3183 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7794 -36.7794 -36.7786 -36.7786 -36.5221 -36.5221 -36.5216 -36.5216 -36.4268 -36.4268 -36.4266 -36.4266 -8.9995 -8.9995 -8.7659 -8.7659 0.0329 0.0329 0.1818 0.1818 1.0687 1.0687 1.0698 1.0698 2.9246 2.9246 2.9254 2.9254 3.2068 3.2068 3.3879 3.3879 7.3025 7.3025 8.0263 8.0263 9.7923 9.7923 9.7925 9.7925 k = 0.0000 0.0000 0.3306 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7793 -36.7793 -36.7787 -36.7787 -36.5221 -36.5221 -36.5216 -36.5216 -36.4268 -36.4268 -36.4266 -36.4266 -8.9804 -8.9804 -8.7848 -8.7848 0.0363 0.0363 0.1614 0.1614 1.0740 1.0740 1.0749 1.0749 2.9153 2.9153 2.9160 2.9160 3.2341 3.2341 3.3851 3.3851 7.3559 7.3559 7.9609 7.9609 9.7956 9.7956 9.7958 9.7958 k = 0.0000 0.0000 0.3428 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7793 -36.7793 -36.7787 -36.7787 -36.5221 -36.5221 -36.5217 -36.5217 -36.4268 -36.4268 -36.4267 -36.4267 -8.9611 -8.9611 -8.8040 -8.8040 0.0415 0.0415 0.1422 0.1422 1.0784 1.0784 1.0791 1.0791 2.9076 2.9076 2.9081 2.9081 3.2594 3.2594 3.3802 3.3802 7.4108 7.4108 7.8959 7.8959 9.7984 9.7984 9.7985 9.7985 k = 0.0000 0.0000 0.3550 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7792 -36.7792 -36.7788 -36.7788 -36.5220 -36.5220 -36.5217 -36.5217 -36.4268 -36.4268 -36.4267 -36.4267 -8.9415 -8.9415 -8.8234 -8.8234 0.0484 0.0484 0.1243 0.1243 1.0819 1.0819 1.0825 1.0825 2.9015 2.9015 2.9019 2.9019 3.2824 3.2824 3.3731 3.3731 7.4672 7.4672 7.8317 7.8317 9.8006 9.8006 9.8007 9.8007 k = 0.0000 0.0000 0.3673 ( 3984 PWs) bands (ev): -69.8264 -69.8264 -69.8263 -69.8263 -36.7791 -36.7791 -36.7789 -36.7789 -36.5219 -36.5219 -36.5218 -36.5218 -36.4268 -36.4268 -36.4267 -36.4267 -8.9219 -8.9219 -8.8430 -8.8430 0.0571 0.0571 0.1078 0.1078 1.0845 1.0845 1.0849 1.0849 2.8971 2.8971 2.8974 2.8974 3.3033 3.3033 3.3637 3.3637 7.5249 7.5249 7.7683 7.7683 9.8021 9.8021 9.8022 9.8022 k = 0.0000 0.0000 0.3795 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7789 -36.7789 -36.5219 -36.5219 -36.5218 -36.5218 -36.4267 -36.4267 -36.4267 -36.4267 -8.9022 -8.9022 -8.8627 -8.8627 0.0674 0.0674 0.0928 0.0928 1.0861 1.0861 1.0863 1.0863 2.8944 2.8944 2.8946 2.8946 3.3218 3.3218 3.3521 3.3521 7.5840 7.5840 7.7058 7.7058 9.8031 9.8031 9.8031 9.8031 k = 0.0000 0.0000 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5219 -36.5219 -36.4267 -36.4267 -36.4267 -36.4267 -8.8824 -8.8824 -8.8824 -8.8824 0.0793 0.0793 0.0793 0.0793 1.0867 1.0867 1.0867 1.0867 2.8936 2.8936 2.8936 2.8936 3.3381 3.3381 3.3381 3.3381 7.6444 7.6444 7.6444 7.6444 9.8034 9.8034 9.8034 9.8034 k = 0.0000 0.0000 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5219 -36.5219 -36.4267 -36.4267 -36.4267 -36.4267 -8.8824 -8.8824 -8.8824 -8.8824 0.0793 0.0793 0.0793 0.0793 1.0867 1.0867 1.0867 1.0867 2.8936 2.8936 2.8936 2.8936 3.3381 3.3381 3.3381 3.3381 7.6444 7.6444 7.6444 7.6444 9.8034 9.8034 9.8034 9.8034 k = 0.0000 0.0125 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5218 -36.5218 -36.4268 -36.4268 -36.4267 -36.4267 -8.8822 -8.8822 -8.8822 -8.8822 0.0769 0.0769 0.0769 0.0769 1.0884 1.0884 1.0884 1.0884 2.8929 2.8929 2.8930 2.8930 3.3378 3.3378 3.3378 3.3378 7.6476 7.6476 7.6476 7.6476 9.8013 9.8013 9.8013 9.8013 k = 0.0000 0.0250 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5220 -36.5220 -36.5218 -36.5218 -36.4268 -36.4268 -36.4267 -36.4267 -8.8814 -8.8814 -8.8814 -8.8814 0.0697 0.0697 0.0698 0.0698 1.0934 1.0934 1.0935 1.0935 2.8909 2.8909 2.8911 2.8911 3.3368 3.3368 3.3369 3.3369 7.6573 7.6573 7.6574 7.6574 9.7950 9.7950 9.7950 9.7950 k = 0.0000 0.0375 0.3918 ( 3984 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5220 -36.5220 -36.5217 -36.5217 -36.4268 -36.4268 -36.4266 -36.4266 -8.8801 -8.8801 -8.8800 -8.8800 0.0580 0.0580 0.0580 0.0580 1.1016 1.1016 1.1018 1.1018 2.8877 2.8877 2.8880 2.8880 3.3352 3.3352 3.3354 3.3354 7.6734 7.6734 7.6736 7.6736 9.7846 9.7846 9.7847 9.7847 k = 0.0000 0.0500 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5220 -36.5220 -36.5217 -36.5217 -36.4269 -36.4269 -36.4266 -36.4266 -8.8782 -8.8782 -8.8782 -8.8782 0.0418 0.0418 0.0419 0.0419 1.1129 1.1129 1.1131 1.1131 2.8833 2.8833 2.8837 2.8837 3.3329 3.3329 3.3332 3.3332 7.6957 7.6957 7.6959 7.6959 9.7705 9.7705 9.7705 9.7705 k = 0.0000 0.0625 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5221 -36.5221 -36.5217 -36.5217 -36.4269 -36.4269 -36.4266 -36.4266 -8.8759 -8.8759 -8.8759 -8.8759 0.0216 0.0216 0.0217 0.0217 1.1270 1.1270 1.1272 1.1272 2.8780 2.8780 2.8784 2.8784 3.3299 3.3299 3.3302 3.3302 7.7237 7.7237 7.7240 7.7240 9.7529 9.7529 9.7530 9.7530 k = 0.0000 0.0750 0.3918 ( 3998 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5221 -36.5221 -36.5217 -36.5217 -36.4270 -36.4270 -36.4266 -36.4266 -8.8731 -8.8731 -8.8730 -8.8730 -0.0023 -0.0023 -0.0022 -0.0022 1.1436 1.1436 1.1439 1.1439 2.8718 2.8718 2.8723 2.8723 3.3260 3.3260 3.3264 3.3264 7.7572 7.7572 7.7575 7.7575 9.7324 9.7324 9.7325 9.7325 k = 0.0000 0.0875 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5222 -36.5222 -36.5216 -36.5216 -36.4270 -36.4270 -36.4265 -36.4265 -8.8698 -8.8698 -8.8697 -8.8697 -0.0297 -0.0297 -0.0296 -0.0296 1.1627 1.1627 1.1630 1.1630 2.8649 2.8649 2.8655 2.8655 3.3213 3.3213 3.3216 3.3216 7.7957 7.7957 7.7961 7.7961 9.7095 9.7095 9.7096 9.7096 k = 0.0000 0.1000 0.3918 ( 3996 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5222 -36.5222 -36.5216 -36.5216 -36.4271 -36.4271 -36.4265 -36.4265 -8.8660 -8.8660 -8.8660 -8.8660 -0.0601 -0.0601 -0.0600 -0.0600 1.1838 1.1838 1.1841 1.1841 2.8574 2.8574 2.8581 2.8581 3.3155 3.3155 3.3159 3.3159 7.8385 7.8385 7.8389 7.8389 9.6848 9.6848 9.6849 9.6849 k = 0.0000 0.1125 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5223 -36.5223 -36.5215 -36.5215 -36.4271 -36.4271 -36.4265 -36.4265 -8.8618 -8.8618 -8.8617 -8.8617 -0.0932 -0.0932 -0.0930 -0.0930 1.2067 1.2067 1.2071 1.2071 2.8497 2.8497 2.8504 2.8504 3.3087 3.3087 3.3091 3.3091 7.8850 7.8850 7.8855 7.8855 9.6590 9.6590 9.6591 9.6591 k = 0.0000 0.1250 0.3918 ( 3990 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5223 -36.5223 -36.5215 -36.5215 -36.4272 -36.4272 -36.4265 -36.4265 -8.8572 -8.8572 -8.8571 -8.8571 -0.1286 -0.1286 -0.1285 -0.1285 1.2314 1.2314 1.2318 1.2318 2.8417 2.8417 2.8425 2.8425 3.3008 3.3008 3.3012 3.3012 7.9342 7.9342 7.9349 7.9349 9.6330 9.6330 9.6331 9.6331 k = 0.0000 0.1375 0.3918 ( 3982 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5224 -36.5224 -36.5215 -36.5215 -36.4272 -36.4272 -36.4265 -36.4265 -8.8521 -8.8521 -8.8521 -8.8521 -0.1660 -0.1660 -0.1659 -0.1659 1.2575 1.2575 1.2579 1.2579 2.8337 2.8337 2.8345 2.8345 3.2917 3.2917 3.2921 3.2921 7.9854 7.9854 7.9861 7.9861 9.6077 9.6077 9.6078 9.6078 k = 0.0000 0.1500 0.3918 ( 3996 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5224 -36.5224 -36.5214 -36.5214 -36.4273 -36.4273 -36.4265 -36.4265 -8.8468 -8.8468 -8.8467 -8.8467 -0.2051 -0.2051 -0.2050 -0.2050 1.2849 1.2849 1.2854 1.2854 2.8257 2.8257 2.8265 2.8265 3.2815 3.2815 3.2818 3.2818 8.0374 8.0374 8.0382 8.0382 9.5841 9.5841 9.5842 9.5842 k = 0.0000 0.1625 0.3918 ( 3996 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5225 -36.5225 -36.5214 -36.5214 -36.4273 -36.4273 -36.4265 -36.4265 -8.8410 -8.8410 -8.8410 -8.8410 -0.2456 -0.2456 -0.2454 -0.2454 1.3136 1.3136 1.3141 1.3141 2.8179 2.8179 2.8187 2.8187 3.2700 3.2700 3.2703 3.2703 8.0889 8.0889 8.0899 8.0899 9.5634 9.5634 9.5634 9.5634 k = 0.0000 0.1750 0.3918 ( 3996 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5225 -36.5225 -36.5214 -36.5214 -36.4274 -36.4274 -36.4264 -36.4264 -8.8350 -8.8350 -8.8350 -8.8350 -0.2872 -0.2872 -0.2870 -0.2870 1.3433 1.3433 1.3439 1.3439 2.8103 2.8103 2.8111 2.8111 3.2574 3.2574 3.2576 3.2576 8.1386 8.1386 8.1397 8.1397 9.5468 9.5468 9.5469 9.5469 k = 0.0000 0.1875 0.3918 ( 4004 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7790 -36.7790 -36.5226 -36.5226 -36.5214 -36.5214 -36.4274 -36.4274 -36.4265 -36.4265 -8.8287 -8.8287 -8.8287 -8.8287 -0.3295 -0.3295 -0.3294 -0.3294 1.3741 1.3741 1.3747 1.3747 2.8030 2.8030 2.8038 2.8038 3.2435 3.2435 3.2437 3.2437 8.1850 8.1850 8.1863 8.1863 9.5357 9.5357 9.5359 9.5359 k = 0.0000 0.2000 0.3918 ( 4008 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7790 -36.7790 -36.5226 -36.5226 -36.5214 -36.5214 -36.4275 -36.4275 -36.4264 -36.4264 -8.8222 -8.8222 -8.8221 -8.8221 -0.3724 -0.3724 -0.3723 -0.3723 1.4058 1.4058 1.4064 1.4064 2.7960 2.7960 2.7968 2.7968 3.2286 3.2286 3.2286 3.2286 8.2267 8.2267 8.2281 8.2281 9.5314 9.5314 9.5317 9.5317 k = 0.0000 0.2125 0.3918 ( 4008 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7790 -36.7790 -36.5227 -36.5227 -36.5213 -36.5213 -36.4275 -36.4275 -36.4264 -36.4264 -8.8155 -8.8155 -8.8154 -8.8154 -0.4156 -0.4156 -0.4154 -0.4154 1.4383 1.4383 1.4390 1.4390 2.7893 2.7893 2.7900 2.7900 3.2125 3.2125 3.2125 3.2125 8.2621 8.2621 8.2638 8.2638 9.5351 9.5351 9.5355 9.5355 k = 0.0000 0.2250 0.3918 ( 4010 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7791 -36.7791 -36.5227 -36.5227 -36.5213 -36.5213 -36.4276 -36.4276 -36.4264 -36.4264 -8.8086 -8.8086 -8.8085 -8.8085 -0.4588 -0.4588 -0.4587 -0.4587 1.4716 1.4716 1.4724 1.4724 2.7828 2.7828 2.7835 2.7835 3.1952 3.1952 3.1954 3.1954 8.2903 8.2903 8.2921 8.2921 9.5477 9.5477 9.5483 9.5483 k = 0.0000 0.2375 0.3918 ( 4014 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7794 -36.7794 -36.7791 -36.7791 -36.5228 -36.5228 -36.5213 -36.5213 -36.4276 -36.4276 -36.4264 -36.4264 -8.8016 -8.8016 -8.8015 -8.8015 -0.5018 -0.5018 -0.5017 -0.5017 1.5057 1.5057 1.5065 1.5065 2.7765 2.7765 2.7772 2.7772 3.1771 3.1771 3.1774 3.1774 8.3104 8.3104 8.3125 8.3125 9.5697 9.5697 9.5704 9.5704 k = 0.0000 0.2500 0.3918 ( 4010 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7794 -36.7794 -36.7791 -36.7791 -36.5228 -36.5228 -36.5213 -36.5213 -36.4277 -36.4277 -36.4264 -36.4264 -8.7945 -8.7945 -8.7945 -8.7945 -0.5444 -0.5444 -0.5443 -0.5443 1.5404 1.5404 1.5412 1.5412 2.7704 2.7704 2.7710 2.7710 3.1581 3.1581 3.1586 3.1586 8.3224 8.3224 8.3246 8.3246 9.6010 9.6010 9.6019 9.6019 k = 0.0000 0.2625 0.3918 ( 4002 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5228 -36.5228 -36.5212 -36.5212 -36.4277 -36.4277 -36.4264 -36.4264 -8.7874 -8.7874 -8.7874 -8.7874 -0.5864 -0.5864 -0.5862 -0.5862 1.5758 1.5758 1.5767 1.5767 2.7642 2.7642 2.7648 2.7648 3.1385 3.1385 3.1391 3.1391 8.3265 8.3265 8.3289 8.3289 9.6409 9.6409 9.6419 9.6419 k = 0.0000 0.2750 0.3918 ( 4002 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5229 -36.5229 -36.5212 -36.5212 -36.4278 -36.4278 -36.4264 -36.4264 -8.7803 -8.7803 -8.7803 -8.7803 -0.6274 -0.6274 -0.6273 -0.6273 1.6118 1.6118 1.6127 1.6127 2.7578 2.7578 2.7583 2.7583 3.1183 3.1183 3.1191 3.1191 8.3236 8.3236 8.3261 8.3261 9.6884 9.6884 9.6895 9.6895 k = 0.0000 0.2875 0.3918 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5229 -36.5229 -36.5212 -36.5212 -36.4278 -36.4278 -36.4264 -36.4264 -8.7733 -8.7733 -8.7732 -8.7732 -0.6675 -0.6675 -0.6673 -0.6673 1.6482 1.6482 1.6492 1.6492 2.7510 2.7510 2.7513 2.7513 3.0979 3.0979 3.0989 3.0989 8.3147 8.3147 8.3174 8.3174 9.7419 9.7419 9.7431 9.7431 k = 0.0000 0.3000 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5229 -36.5229 -36.5212 -36.5212 -36.4278 -36.4278 -36.4264 -36.4264 -8.7664 -8.7664 -8.7663 -8.7663 -0.7063 -0.7063 -0.7061 -0.7061 1.6852 1.6852 1.6863 1.6863 2.7436 2.7436 2.7438 2.7438 3.0775 3.0775 3.0788 3.0788 8.3010 8.3010 8.3038 8.3038 9.8001 9.8001 9.8014 9.8014 k = 0.0000 0.3125 0.3918 ( 4002 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7791 -36.7791 -36.5230 -36.5230 -36.5212 -36.5212 -36.4279 -36.4279 -36.4264 -36.4264 -8.7596 -8.7596 -8.7595 -8.7595 -0.7437 -0.7437 -0.7435 -0.7435 1.7226 1.7226 1.7237 1.7237 2.7352 2.7352 2.7352 2.7352 3.0574 3.0574 3.0589 3.0589 8.2836 8.2836 8.2866 8.2866 9.8614 9.8614 9.8628 9.8628 k = 0.0000 0.3250 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7791 -36.7791 -36.5230 -36.5230 -36.5212 -36.5212 -36.4279 -36.4279 -36.4264 -36.4264 -8.7530 -8.7530 -8.7529 -8.7529 -0.7794 -0.7794 -0.7793 -0.7793 1.7604 1.7604 1.7615 1.7615 2.7253 2.7253 2.7255 2.7255 3.0379 3.0379 3.0397 3.0397 8.2637 8.2637 8.2667 8.2667 9.9244 9.9244 9.9260 9.9260 k = 0.0000 0.3375 0.3918 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7791 -36.7791 -36.5231 -36.5231 -36.5211 -36.5211 -36.4280 -36.4280 -36.4264 -36.4264 -8.7467 -8.7467 -8.7466 -8.7466 -0.8135 -0.8135 -0.8133 -0.8133 1.7984 1.7984 1.7997 1.7997 2.7139 2.7139 2.7142 2.7142 3.0194 3.0194 3.0215 3.0215 8.2421 8.2421 8.2452 8.2452 9.9878 9.9878 9.9895 9.9895 k = 0.0000 0.3500 0.3918 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7791 -36.7791 -36.5231 -36.5231 -36.5211 -36.5211 -36.4280 -36.4280 -36.4264 -36.4264 -8.7406 -8.7406 -8.7405 -8.7405 -0.8456 -0.8456 -0.8454 -0.8454 1.8367 1.8367 1.8380 1.8380 2.7005 2.7005 2.7010 2.7010 3.0022 3.0022 3.0046 3.0046 8.2196 8.2196 8.2228 8.2228 10.0505 10.0505 10.0523 10.0523 k = 0.0000 0.3625 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7791 -36.7791 -36.5231 -36.5231 -36.5211 -36.5211 -36.4280 -36.4280 -36.4264 -36.4264 -8.7348 -8.7348 -8.7347 -8.7347 -0.8757 -0.8757 -0.8755 -0.8755 1.8751 1.8751 1.8765 1.8765 2.6849 2.6849 2.6856 2.6856 2.9867 2.9867 2.9894 2.9894 8.1970 8.1970 8.2003 8.2003 10.1115 10.1115 10.1133 10.1133 k = 0.0000 0.3750 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4281 -36.4281 -36.4264 -36.4264 -8.7294 -8.7294 -8.7293 -8.7293 -0.9036 -0.9036 -0.9035 -0.9035 1.9135 1.9135 1.9150 1.9150 2.6670 2.6670 2.6678 2.6678 2.9730 2.9730 2.9760 2.9760 8.1748 8.1748 8.1781 8.1781 10.1698 10.1698 10.1717 10.1717 k = 0.0000 0.3875 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4281 -36.4281 -36.4264 -36.4264 -8.7244 -8.7244 -8.7243 -8.7243 -0.9292 -0.9292 -0.9291 -0.9291 1.9518 1.9518 1.9534 1.9534 2.6468 2.6468 2.6477 2.6477 2.9613 2.9613 2.9645 2.9645 8.1535 8.1535 8.1569 8.1569 10.2247 10.2247 10.2267 10.2267 k = 0.0000 0.4000 0.3918 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4281 -36.4281 -36.4264 -36.4264 -8.7198 -8.7198 -8.7197 -8.7197 -0.9525 -0.9525 -0.9523 -0.9523 1.9897 1.9897 1.9915 1.9915 2.6245 2.6245 2.6254 2.6254 2.9515 2.9515 2.9549 2.9549 8.1335 8.1335 8.1369 8.1369 10.2755 10.2755 10.2776 10.2776 k = 0.0000 0.4125 0.3918 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4281 -36.4281 -36.4264 -36.4264 -8.7157 -8.7157 -8.7156 -8.7156 -0.9732 -0.9732 -0.9730 -0.9730 2.0272 2.0272 2.0291 2.0291 2.6003 2.6003 2.6012 2.6012 2.9436 2.9436 2.9470 2.9470 8.1152 8.1152 8.1186 8.1186 10.3217 10.3217 10.3239 10.3239 k = 0.0000 0.4250 0.3918 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4264 -36.4264 -8.7120 -8.7120 -8.7120 -8.7120 -0.9913 -0.9913 -0.9911 -0.9911 2.0638 2.0638 2.0659 2.0659 2.5748 2.5748 2.5756 2.5756 2.9372 2.9372 2.9408 2.9408 8.0988 8.0988 8.1022 8.1022 10.3627 10.3627 10.3649 10.3649 k = 0.0000 0.4375 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4264 -36.4264 -8.7089 -8.7089 -8.7088 -8.7088 -1.0068 -1.0068 -1.0066 -1.0066 2.0990 2.0990 2.1013 2.1013 2.5485 2.5485 2.5492 2.5492 2.9323 2.9323 2.9359 2.9359 8.0845 8.0845 8.0880 8.0880 10.3981 10.3981 10.4004 10.4004 k = 0.0000 0.4500 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4264 -36.4264 -8.7063 -8.7063 -8.7062 -8.7062 -1.0195 -1.0195 -1.0194 -1.0194 2.1322 2.1322 2.1347 2.1347 2.5225 2.5225 2.5229 2.5229 2.9285 2.9285 2.9322 2.9322 8.0726 8.0726 8.0762 8.0762 10.4275 10.4275 10.4299 10.4299 k = 0.0000 0.4625 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4264 -36.4264 -8.7043 -8.7043 -8.7042 -8.7042 -1.0295 -1.0295 -1.0293 -1.0293 2.1621 2.1621 2.1649 2.1649 2.4979 2.4979 2.4981 2.4981 2.9258 2.9258 2.9295 2.9295 8.0632 8.0632 8.0668 8.0668 10.4507 10.4507 10.4531 10.4531 k = 0.0000 0.4750 0.3918 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7028 -8.7028 -8.7027 -8.7027 -1.0367 -1.0367 -1.0365 -1.0365 2.1870 2.1870 2.1900 2.1900 2.4767 2.4767 2.4768 2.4768 2.9240 2.9240 2.9277 2.9277 8.0564 8.0564 8.0600 8.0600 10.4674 10.4674 10.4699 10.4699 k = 0.0000 0.4875 0.3918 ( 3992 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7019 -8.7019 -8.7019 -8.7019 -1.0410 -1.0410 -1.0408 -1.0408 2.2040 2.2040 2.2073 2.2073 2.4617 2.4617 2.4620 2.4620 2.9229 2.9229 2.9267 2.9267 8.0523 8.0523 8.0559 8.0559 10.4775 10.4775 10.4800 10.4800 k = 0.0000 0.5000 0.3918 ( 3980 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7791 -36.7791 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7016 -8.7016 -8.7016 -8.7016 -1.0424 -1.0424 -1.0422 -1.0422 2.2101 2.2101 2.2136 2.2136 2.4562 2.4562 2.4566 2.4566 2.9226 2.9226 2.9264 2.9264 8.0510 8.0510 8.0546 8.0546 10.4809 10.4809 10.4834 10.4834 k = 0.0000 0.5000 0.3918 ( 3980 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7791 -36.7791 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7016 -8.7016 -8.7016 -8.7016 -1.0424 -1.0424 -1.0422 -1.0422 2.2101 2.2101 2.2136 2.2136 2.4562 2.4562 2.4566 2.4566 2.9226 2.9226 2.9264 2.9264 8.0510 8.0510 8.0546 8.0546 10.4809 10.4809 10.4834 10.4834 k = 0.0125 0.5000 0.3918 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4264 -36.4264 -8.7015 -8.7015 -8.7014 -8.7014 -1.0415 -1.0415 -1.0413 -1.0413 2.1917 2.1917 2.1949 2.1949 2.4732 2.4732 2.4739 2.4739 2.9214 2.9214 2.9251 2.9251 8.0524 8.0524 8.0560 8.0560 10.4826 10.4826 10.4851 10.4851 k = 0.0250 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7009 -8.7009 -8.7008 -8.7008 -1.0388 -1.0388 -1.0387 -1.0387 2.1467 2.1467 2.1496 2.1496 2.5142 2.5142 2.5151 2.5151 2.9178 2.9178 2.9215 2.9215 8.0569 8.0569 8.0605 8.0605 10.4877 10.4877 10.4903 10.4903 k = 0.0375 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6999 -8.6999 -8.6999 -8.6999 -1.0344 -1.0344 -1.0343 -1.0343 2.0888 2.0888 2.0914 2.0914 2.5651 2.5651 2.5662 2.5662 2.9122 2.9122 2.9158 2.9158 8.0643 8.0643 8.0679 8.0679 10.4963 10.4963 10.4989 10.4989 k = 0.0500 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6986 -8.6986 -8.6985 -8.6985 -1.0283 -1.0283 -1.0281 -1.0281 2.0249 2.0249 2.0274 2.0274 2.6185 2.6185 2.6196 2.6196 2.9051 2.9051 2.9086 2.9086 8.0746 8.0746 8.0783 8.0783 10.5084 10.5084 10.5109 10.5109 k = 0.0625 0.5000 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6969 -8.6969 -8.6968 -8.6968 -1.0204 -1.0204 -1.0202 -1.0202 1.9580 1.9580 1.9604 1.9604 2.6702 2.6702 2.6712 2.6712 2.8980 2.8980 2.9012 2.9012 8.0878 8.0878 8.0915 8.0915 10.5239 10.5239 10.5265 10.5265 k = 0.0750 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6949 -8.6949 -8.6948 -8.6948 -1.0107 -1.0107 -1.0106 -1.0106 1.8895 1.8895 1.8918 1.8918 2.7156 2.7156 2.7161 2.7161 2.8942 2.8942 2.8967 2.8967 8.1039 8.1039 8.1076 8.1076 10.5430 10.5430 10.5455 10.5455 k = 0.0875 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6925 -8.6925 -8.6924 -8.6924 -0.9995 -0.9995 -0.9993 -0.9993 1.8203 1.8203 1.8225 1.8225 2.7470 2.7470 2.7476 2.7476 2.9005 2.9005 2.9018 2.9018 8.1227 8.1227 8.1264 8.1264 10.5655 10.5655 10.5681 10.5681 k = 0.1000 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.6897 -8.6897 -8.6896 -8.6896 -0.9865 -0.9865 -0.9864 -0.9864 1.7508 1.7508 1.7529 1.7529 2.7565 2.7565 2.7584 2.7584 2.9237 2.9237 2.9238 2.9238 8.1441 8.1441 8.1479 8.1479 10.5916 10.5916 10.5943 10.5943 k = 0.1125 0.5000 0.3918 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4266 -36.4266 -8.6867 -8.6867 -8.6866 -8.6866 -0.9720 -0.9720 -0.9719 -0.9719 1.6816 1.6816 1.6836 1.6836 2.7474 2.7474 2.7502 2.7502 2.9602 2.9602 2.9611 2.9611 8.1681 8.1681 8.1719 8.1719 10.6213 10.6213 10.6240 10.6240 k = 0.1250 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4266 -36.4266 -8.6833 -8.6833 -8.6832 -8.6832 -0.9560 -0.9560 -0.9558 -0.9558 1.6129 1.6129 1.6149 1.6149 2.7271 2.7271 2.7302 2.7302 3.0036 3.0036 3.0050 3.0050 8.1946 8.1946 8.1984 8.1984 10.6546 10.6546 10.6573 10.6573 k = 0.1375 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4266 -36.4266 -8.6797 -8.6797 -8.6796 -8.6796 -0.9385 -0.9385 -0.9383 -0.9383 1.5451 1.5451 1.5470 1.5470 2.7000 2.7000 2.7032 2.7032 3.0492 3.0492 3.0508 3.0508 8.2233 8.2233 8.2271 8.2271 10.6914 10.6914 10.6941 10.6941 k = 0.1500 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4267 -36.4267 -8.6758 -8.6758 -8.6757 -8.6757 -0.9196 -0.9196 -0.9194 -0.9194 1.4784 1.4784 1.4803 1.4803 2.6680 2.6680 2.6713 2.6713 3.0950 3.0950 3.0967 3.0967 8.2542 8.2542 8.2580 8.2580 10.7318 10.7318 10.7345 10.7345 k = 0.1625 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4267 -36.4267 -8.6716 -8.6716 -8.6716 -8.6716 -0.8994 -0.8994 -0.8992 -0.8992 1.4131 1.4131 1.4150 1.4150 2.6323 2.6323 2.6355 2.6355 3.1398 3.1398 3.1416 3.1416 8.2872 8.2872 8.2910 8.2910 10.7757 10.7757 10.7784 10.7784 k = 0.1750 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5232 -36.5232 -36.5213 -36.5213 -36.4282 -36.4282 -36.4267 -36.4267 -8.6673 -8.6673 -8.6672 -8.6672 -0.8780 -0.8780 -0.8777 -0.8777 1.3495 1.3495 1.3514 1.3514 2.5931 2.5931 2.5963 2.5963 3.1833 3.1833 3.1851 3.1851 8.3219 8.3219 8.3257 8.3257 10.8230 10.8230 10.8257 10.8257 k = 0.1875 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5231 -36.5231 -36.5213 -36.5213 -36.4283 -36.4283 -36.4268 -36.4268 -8.6628 -8.6628 -8.6627 -8.6627 -0.8554 -0.8554 -0.8552 -0.8552 1.2879 1.2879 1.2897 1.2897 2.5510 2.5510 2.5542 2.5542 3.2251 3.2251 3.2270 3.2270 8.3583 8.3583 8.3621 8.3621 10.8737 10.8737 10.8765 10.8765 k = 0.2000 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7793 -36.7793 -36.5231 -36.5231 -36.5213 -36.5213 -36.4282 -36.4282 -36.4268 -36.4268 -8.6581 -8.6581 -8.6580 -8.6580 -0.8319 -0.8319 -0.8316 -0.8316 1.2285 1.2285 1.2303 1.2303 2.5061 2.5061 2.5092 2.5092 3.2652 3.2652 3.2670 3.2670 8.3962 8.3962 8.4000 8.4000 10.9277 10.9277 10.9304 10.9304 k = 0.2125 0.5000 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5231 -36.5231 -36.5214 -36.5214 -36.4283 -36.4283 -36.4269 -36.4269 -8.6532 -8.6532 -8.6531 -8.6531 -0.8075 -0.8075 -0.8073 -0.8073 1.1715 1.1715 1.1733 1.1733 2.4586 2.4586 2.4617 2.4617 3.3035 3.3035 3.3053 3.3053 8.4353 8.4353 8.4391 8.4391 10.9847 10.9847 10.9875 10.9875 k = 0.2250 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5231 -36.5231 -36.5214 -36.5214 -36.4283 -36.4283 -36.4269 -36.4269 -8.6483 -8.6483 -8.6482 -8.6482 -0.7825 -0.7825 -0.7822 -0.7822 1.1173 1.1173 1.1191 1.1191 2.4088 2.4088 2.4118 2.4118 3.3399 3.3399 3.3416 3.3416 8.4755 8.4755 8.4792 8.4792 11.0447 11.0447 11.0474 11.0474 k = 0.2375 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5231 -36.5231 -36.5215 -36.5215 -36.4282 -36.4282 -36.4269 -36.4269 -8.6432 -8.6432 -8.6432 -8.6432 -0.7569 -0.7569 -0.7566 -0.7566 1.0661 1.0661 1.0679 1.0679 2.3568 2.3568 2.3597 2.3597 3.3744 3.3744 3.3761 3.3761 8.5166 8.5166 8.5203 8.5203 11.1073 11.1073 11.1101 11.1101 k = 0.2500 0.5000 0.3918 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5230 -36.5230 -36.5215 -36.5215 -36.4282 -36.4282 -36.4270 -36.4270 -8.6382 -8.6382 -8.6381 -8.6381 -0.7310 -0.7310 -0.7307 -0.7307 1.0183 1.0183 1.0201 1.0201 2.3028 2.3028 2.3056 2.3056 3.4071 3.4071 3.4088 3.4088 8.5584 8.5584 8.5620 8.5620 11.1723 11.1723 11.1750 11.1750 k = 0.2625 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5230 -36.5230 -36.5215 -36.5215 -36.4282 -36.4282 -36.4270 -36.4270 -8.6331 -8.6331 -8.6330 -8.6330 -0.7050 -0.7050 -0.7047 -0.7047 0.9740 0.9740 0.9759 0.9759 2.2469 2.2469 2.2497 2.2497 3.4379 3.4379 3.4395 3.4395 8.6006 8.6006 8.6041 8.6041 11.2393 11.2393 11.2420 11.2420 k = 0.2750 0.5000 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5230 -36.5230 -36.5216 -36.5216 -36.4282 -36.4282 -36.4271 -36.4271 -8.6280 -8.6280 -8.6279 -8.6279 -0.6792 -0.6792 -0.6789 -0.6789 0.9337 0.9337 0.9356 0.9356 2.1894 2.1894 2.1921 2.1921 3.4669 3.4669 3.4685 3.4685 8.6431 8.6431 8.6465 8.6465 11.3079 11.3079 11.3106 11.3106 k = 0.2875 0.5000 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5230 -36.5230 -36.5216 -36.5216 -36.4282 -36.4282 -36.4271 -36.4271 -8.6230 -8.6230 -8.6229 -8.6229 -0.6538 -0.6538 -0.6534 -0.6534 0.8977 0.8977 0.8995 0.8995 2.1303 2.1303 2.1330 2.1330 3.4941 3.4941 3.4956 3.4956 8.6856 8.6856 8.6890 8.6890 11.3776 11.3776 11.3802 11.3802 k = 0.3000 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4272 -36.4272 -8.6180 -8.6180 -8.6180 -8.6180 -0.6290 -0.6290 -0.6286 -0.6286 0.8662 0.8662 0.8681 0.8681 2.0700 2.0700 2.0726 2.0726 3.5196 3.5196 3.5211 3.5211 8.7280 8.7280 8.7312 8.7312 11.4473 11.4473 11.4500 11.4500 k = 0.3125 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4272 -36.4272 -8.6132 -8.6132 -8.6131 -8.6131 -0.6051 -0.6051 -0.6048 -0.6048 0.8395 0.8395 0.8414 0.8414 2.0087 2.0087 2.0112 2.0112 3.5434 3.5434 3.5448 3.5448 8.7700 8.7700 8.7731 8.7731 11.5158 11.5158 11.5185 11.5185 k = 0.3250 0.5000 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4273 -36.4273 -8.6085 -8.6085 -8.6084 -8.6084 -0.5825 -0.5825 -0.5821 -0.5821 0.8180 0.8180 0.8200 0.8200 1.9464 1.9464 1.9489 1.9489 3.5655 3.5655 3.5668 3.5668 8.8113 8.8113 8.8143 8.8143 11.5797 11.5797 11.5824 11.5824 k = 0.3375 0.5000 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5218 -36.5218 -36.4282 -36.4282 -36.4273 -36.4273 -8.6040 -8.6040 -8.6039 -8.6039 -0.5613 -0.5613 -0.5609 -0.5609 0.8020 0.8020 0.8039 0.8039 1.8834 1.8834 1.8858 1.8858 3.5860 3.5860 3.5872 3.5872 8.8518 8.8518 8.8547 8.8547 11.6280 11.6280 11.6307 11.6307 k = 0.3500 0.5000 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5218 -36.5218 -36.4282 -36.4282 -36.4274 -36.4274 -8.5996 -8.5996 -8.5996 -8.5996 -0.5418 -0.5418 -0.5414 -0.5414 0.7915 0.7915 0.7935 0.7935 1.8199 1.8199 1.8223 1.8223 3.6048 3.6048 3.6059 3.6059 8.8912 8.8912 8.8939 8.8939 11.6357 11.6357 11.6379 11.6379 k = 0.3625 0.5000 0.3918 ( 4024 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5219 -36.5219 -36.4282 -36.4282 -36.4274 -36.4274 -8.5955 -8.5955 -8.5955 -8.5955 -0.5241 -0.5241 -0.5237 -0.5237 0.7868 0.7868 0.7888 0.7888 1.7562 1.7562 1.7585 1.7585 3.6220 3.6220 3.6231 3.6231 8.9292 8.9292 8.9317 8.9317 11.6056 11.6056 11.6072 11.6072 k = 0.3750 0.5000 0.3918 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5220 -36.5220 -36.4282 -36.4282 -36.4275 -36.4275 -8.5917 -8.5917 -8.5917 -8.5917 -0.5084 -0.5084 -0.5081 -0.5081 0.7880 0.7880 0.7899 0.7899 1.6924 1.6924 1.6947 1.6947 3.6377 3.6377 3.6386 3.6386 8.9655 8.9655 8.9678 8.9678 11.5638 11.5638 11.5651 11.5651 k = 0.3875 0.5000 0.3918 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5220 -36.5220 -36.4282 -36.4282 -36.4275 -36.4275 -8.5881 -8.5881 -8.5881 -8.5881 -0.4947 -0.4947 -0.4944 -0.4944 0.7949 0.7949 0.7969 0.7969 1.6288 1.6288 1.6311 1.6311 3.6518 3.6518 3.6527 3.6527 8.9998 8.9998 9.0020 9.0020 11.5204 11.5204 11.5215 11.5215 k = 0.4000 0.5000 0.3918 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5227 -36.5227 -36.5221 -36.5221 -36.4281 -36.4281 -36.4276 -36.4276 -8.5849 -8.5849 -8.5848 -8.5848 -0.4831 -0.4831 -0.4828 -0.4828 0.8076 0.8076 0.8096 0.8096 1.5657 1.5657 1.5679 1.5679 3.6644 3.6644 3.6652 3.6652 9.0318 9.0318 9.0338 9.0338 11.4785 11.4785 11.4795 11.4795 k = 0.4125 0.5000 0.3918 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5227 -36.5227 -36.5221 -36.5221 -36.4281 -36.4281 -36.4276 -36.4276 -8.5819 -8.5819 -8.5819 -8.5819 -0.4734 -0.4734 -0.4731 -0.4731 0.8258 0.8258 0.8278 0.8278 1.5032 1.5032 1.5054 1.5054 3.6755 3.6755 3.6762 3.6762 9.0612 9.0612 9.0630 9.0630 11.4396 11.4396 11.4405 11.4405 k = 0.4250 0.5000 0.3918 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5227 -36.5227 -36.5221 -36.5221 -36.4281 -36.4281 -36.4277 -36.4277 -8.5794 -8.5794 -8.5793 -8.5793 -0.4655 -0.4655 -0.4652 -0.4652 0.8492 0.8492 0.8512 0.8512 1.4418 1.4418 1.4439 1.4439 3.6851 3.6851 3.6857 3.6857 9.0876 9.0876 9.0891 9.0891 11.4045 11.4045 11.4052 11.4052 k = 0.4375 0.5000 0.3918 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5222 -36.5222 -36.4281 -36.4281 -36.4277 -36.4277 -8.5772 -8.5772 -8.5771 -8.5771 -0.4592 -0.4592 -0.4590 -0.4590 0.8773 0.8773 0.8793 0.8793 1.3817 1.3817 1.3837 1.3837 3.6932 3.6932 3.6937 3.6937 9.1107 9.1107 9.1120 9.1120 11.3738 11.3738 11.3744 11.3744 k = 0.4500 0.5000 0.3918 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5222 -36.5222 -36.4280 -36.4280 -36.4278 -36.4278 -8.5753 -8.5753 -8.5753 -8.5753 -0.4544 -0.4544 -0.4542 -0.4542 0.9096 0.9096 0.9115 0.9115 1.3234 1.3234 1.3254 1.3254 3.6998 3.6998 3.7002 3.7002 9.1302 9.1302 9.1312 9.1312 11.3479 11.3479 11.3484 11.3484 k = 0.4625 0.5000 0.3918 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5223 -36.5223 -36.4280 -36.4280 -36.4278 -36.4278 -8.5739 -8.5739 -8.5739 -8.5739 -0.4509 -0.4509 -0.4508 -0.4508 0.9453 0.9453 0.9471 0.9471 1.2678 1.2678 1.2697 1.2697 3.7049 3.7049 3.7052 3.7052 9.1457 9.1457 9.1465 9.1465 11.3274 11.3274 11.3277 11.3277 k = 0.4750 0.5000 0.3918 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5225 -36.5225 -36.5223 -36.5223 -36.4280 -36.4280 -36.4278 -36.4278 -8.5729 -8.5729 -8.5728 -8.5728 -0.4485 -0.4485 -0.4484 -0.4484 0.9826 0.9826 0.9843 0.9843 1.2163 1.2163 1.2181 1.2181 3.7086 3.7086 3.7088 3.7088 9.1570 9.1570 9.1575 9.1575 11.3125 11.3125 11.3127 11.3127 k = 0.4875 0.5000 0.3918 ( 4044 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5225 -36.5225 -36.5224 -36.5224 -36.4280 -36.4280 -36.4279 -36.4279 -8.5722 -8.5722 -8.5722 -8.5722 -0.4471 -0.4471 -0.4471 -0.4471 1.0173 1.0173 1.0186 1.0186 1.1736 1.1736 1.1749 1.1749 3.7109 3.7109 3.7110 3.7110 9.1639 9.1639 9.1642 9.1642 11.3035 11.3035 11.3036 11.3036 k = 0.5000 0.5000 0.3918 ( 4048 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5720 -8.5720 -8.5720 -8.5720 -0.4466 -0.4466 -0.4466 -0.4466 1.0350 1.0350 1.0350 1.0350 1.1544 1.1544 1.1544 1.1544 3.7116 3.7116 3.7116 3.7116 9.1663 9.1663 9.1663 9.1663 11.3005 11.3005 11.3005 11.3005 k = 0.5000 0.5000 0.3918 ( 4048 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5720 -8.5720 -8.5720 -8.5720 -0.4466 -0.4466 -0.4466 -0.4466 1.0350 1.0350 1.0350 1.0350 1.1544 1.1544 1.1544 1.1544 3.7116 3.7116 3.7116 3.7116 9.1663 9.1663 9.1663 9.1663 11.3005 11.3005 11.3005 11.3005 k = 0.4912 0.4912 0.3918 ( 4048 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5225 -36.5225 -36.5224 -36.5224 -36.4280 -36.4280 -36.4279 -36.4279 -8.5722 -8.5722 -8.5722 -8.5722 -0.4484 -0.4484 -0.4458 -0.4458 1.0034 1.0034 1.0360 1.0360 1.1577 1.1577 1.1872 1.1872 3.7103 3.7103 3.7115 3.7115 9.1619 9.1619 9.1663 9.1663 11.3004 11.3004 11.3065 11.3065 k = 0.4825 0.4825 0.3918 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5225 -36.5225 -36.5223 -36.5223 -36.4280 -36.4280 -36.4278 -36.4278 -8.5729 -8.5729 -8.5728 -8.5728 -0.4535 -0.4535 -0.4432 -0.4432 0.9455 0.9455 1.0389 1.0389 1.1675 1.1675 1.2490 1.2490 3.7064 3.7064 3.7112 3.7112 9.1489 9.1489 9.1660 9.1660 11.3004 11.3004 11.3244 11.3244 k = 0.4737 0.4737 0.3918 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5225 -36.5225 -36.5223 -36.5223 -36.4280 -36.4280 -36.4278 -36.4278 -8.5739 -8.5739 -8.5738 -8.5738 -0.4619 -0.4619 -0.4388 -0.4388 0.8832 0.8832 1.0438 1.0438 1.1836 1.1836 1.3178 1.3178 3.6998 3.6998 3.7106 3.7106 9.1278 9.1278 9.1656 9.1656 11.3003 11.3003 11.3536 11.3536 k = 0.4649 0.4649 0.3918 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5222 -36.5222 -36.4280 -36.4280 -36.4278 -36.4278 -8.5754 -8.5754 -8.5752 -8.5752 -0.4733 -0.4733 -0.4328 -0.4328 0.8207 0.8207 1.0506 1.0506 1.2058 1.2058 1.3893 1.3893 3.6906 3.6906 3.7098 3.7098 9.0995 9.0995 9.1650 9.1650 11.3002 11.3002 11.3933 11.3933 k = 0.4561 0.4561 0.3918 ( 4024 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5222 -36.5222 -36.4280 -36.4280 -36.4277 -36.4277 -8.5772 -8.5772 -8.5770 -8.5770 -0.4872 -0.4872 -0.4250 -0.4250 0.7591 0.7591 1.0593 1.0593 1.2335 1.2335 1.4623 1.4623 3.6789 3.6789 3.7087 3.7087 9.0648 9.0648 9.1641 9.1641 11.3003 11.3003 11.4426 11.4426 k = 0.4474 0.4474 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5226 -36.5226 -36.5221 -36.5221 -36.4281 -36.4281 -36.4277 -36.4277 -8.5795 -8.5795 -8.5792 -8.5792 -0.5034 -0.5034 -0.4155 -0.4155 0.6991 0.6991 1.0700 1.0700 1.2665 1.2665 1.5362 1.5362 3.6645 3.6645 3.7074 3.7074 9.0250 9.0250 9.1630 9.1630 11.3005 11.3005 11.5004 11.5004 k = 0.4386 0.4386 0.3918 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7797 -36.7797 -36.5227 -36.5227 -36.5221 -36.5221 -36.4281 -36.4281 -36.4276 -36.4276 -8.5822 -8.5822 -8.5818 -8.5818 -0.5213 -0.5213 -0.4044 -0.4044 0.6407 0.6407 1.0826 1.0826 1.3041 1.3041 1.6107 1.6107 3.6477 3.6477 3.7059 3.7059 8.9810 8.9810 9.1617 9.1617 11.3011 11.3011 11.5655 11.5655 k = 0.4298 0.4298 0.3918 ( 4024 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5227 -36.5227 -36.5220 -36.5220 -36.4281 -36.4281 -36.4276 -36.4276 -8.5853 -8.5853 -8.5848 -8.5848 -0.5404 -0.5404 -0.3915 -0.3915 0.5842 0.5842 1.0972 1.0972 1.3459 1.3459 1.6855 1.6855 3.6283 3.6283 3.7041 3.7041 8.9339 8.9339 9.1600 9.1600 11.3021 11.3021 11.6370 11.6370 k = 0.4211 0.4211 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5227 -36.5227 -36.5220 -36.5220 -36.4281 -36.4281 -36.4275 -36.4275 -8.5888 -8.5888 -8.5882 -8.5882 -0.5605 -0.5605 -0.3770 -0.3770 0.5297 0.5297 1.1136 1.1136 1.3915 1.3915 1.7604 1.7604 3.6066 3.6066 3.7020 3.7020 8.8848 8.8848 9.1579 9.1579 11.3036 11.3036 11.7138 11.7138 k = 0.4123 0.4123 0.3918 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5219 -36.5219 -36.4282 -36.4282 -36.4275 -36.4275 -8.5926 -8.5926 -8.5919 -8.5919 -0.5810 -0.5810 -0.3608 -0.3608 0.4772 0.4772 1.1319 1.1319 1.4402 1.4402 1.8351 1.8351 3.5824 3.5824 3.6997 3.6997 8.8345 8.8345 9.1555 9.1555 11.3058 11.3058 11.7951 11.7951 k = 0.4035 0.4035 0.3918 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5219 -36.5219 -36.4282 -36.4282 -36.4274 -36.4274 -8.5969 -8.5969 -8.5960 -8.5960 -0.6016 -0.6016 -0.3430 -0.3430 0.4270 0.4270 1.1521 1.1521 1.4916 1.4916 1.9094 1.9094 3.5558 3.5558 3.6971 3.6971 8.7839 8.7839 9.1526 9.1526 11.3088 11.3088 11.7317 11.7317 k = 0.3947 0.3947 0.3918 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7796 -36.7796 -36.5228 -36.5228 -36.5219 -36.5219 -36.4282 -36.4282 -36.4274 -36.4274 -8.6015 -8.6015 -8.6005 -8.6005 -0.6220 -0.6220 -0.3236 -0.3236 0.3790 0.3790 1.1741 1.1741 1.5454 1.5454 1.9830 1.9830 3.5270 3.5270 3.6942 3.6942 8.7337 8.7337 9.1491 9.1491 11.3128 11.3128 11.6403 11.6403 k = 0.3860 0.3860 0.3918 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5228 -36.5228 -36.5218 -36.5218 -36.4282 -36.4282 -36.4273 -36.4273 -8.6065 -8.6065 -8.6054 -8.6054 -0.6417 -0.6417 -0.3026 -0.3026 0.3332 0.3332 1.1979 1.1979 1.6011 1.6011 2.0558 2.0558 3.4960 3.4960 3.6910 3.6910 8.6845 8.6845 9.1451 9.1451 11.3178 11.3178 11.5446 11.5446 k = 0.3772 0.3772 0.3918 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5228 -36.5228 -36.5218 -36.5218 -36.4282 -36.4282 -36.4273 -36.4273 -8.6118 -8.6118 -8.6106 -8.6106 -0.6606 -0.6606 -0.2800 -0.2800 0.2899 0.2899 1.2236 1.2236 1.6582 1.6582 2.1275 2.1275 3.4629 3.4629 3.6874 3.6874 8.6370 8.6370 9.1403 9.1403 11.3240 11.3240 11.4449 11.4449 k = 0.3684 0.3684 0.3918 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4272 -36.4272 -8.6175 -8.6175 -8.6161 -8.6161 -0.6785 -0.6785 -0.2559 -0.2559 0.2488 0.2488 1.2510 1.2510 1.7165 1.7165 2.1977 2.1977 3.4277 3.4277 3.6836 3.6836 8.5916 8.5916 9.1347 9.1347 11.3316 11.3316 11.3419 11.3419 k = 0.3596 0.3596 0.3918 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4272 -36.4272 -8.6235 -8.6235 -8.6220 -8.6220 -0.6950 -0.6950 -0.2303 -0.2303 0.2102 0.2102 1.2802 1.2802 1.7755 1.7755 2.2664 2.2664 3.3906 3.3906 3.6793 3.6793 8.5490 8.5490 9.1283 9.1283 11.2357 11.2357 11.3406 11.3406 k = 0.3509 0.3509 0.3918 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4272 -36.4272 -8.6299 -8.6299 -8.6282 -8.6282 -0.7100 -0.7100 -0.2032 -0.2032 0.1740 0.1740 1.3111 1.3111 1.8349 1.8349 2.3332 2.3332 3.3517 3.3517 3.6747 3.6747 8.5095 8.5095 9.1208 9.1208 11.1268 11.1268 11.3511 11.3511 k = 0.3421 0.3421 0.3918 ( 4030 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7795 -36.7795 -36.5229 -36.5229 -36.5217 -36.5217 -36.4282 -36.4282 -36.4271 -36.4271 -8.6365 -8.6365 -8.6347 -8.6347 -0.7234 -0.7234 -0.1747 -0.1747 0.1402 0.1402 1.3437 1.3437 1.8944 1.8944 2.3979 2.3979 3.3111 3.3111 3.6697 3.6697 8.4735 8.4735 9.1122 9.1122 11.0155 11.0155 11.3632 11.3632 k = 0.3333 0.3333 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5229 -36.5229 -36.5216 -36.5216 -36.4282 -36.4282 -36.4271 -36.4271 -8.6434 -8.6434 -8.6415 -8.6415 -0.7349 -0.7349 -0.1449 -0.1449 0.1089 0.1089 1.3780 1.3780 1.9536 1.9536 2.4603 2.4603 3.2691 3.2691 3.6642 3.6642 8.4414 8.4414 9.1023 9.1023 10.9022 10.9022 11.2944 11.2944 k = 0.3246 0.3246 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5230 -36.5230 -36.5216 -36.5216 -36.4282 -36.4282 -36.4270 -36.4270 -8.6506 -8.6506 -8.6486 -8.6486 -0.7446 -0.7446 -0.1136 -0.1136 0.0800 0.0800 1.4139 1.4139 2.0122 2.0122 2.5202 2.5202 3.2257 3.2257 3.6583 3.6583 8.4136 8.4136 9.0910 9.0910 10.7871 10.7871 11.2145 11.2145 k = 0.3158 0.3158 0.3918 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7794 -36.7794 -36.5230 -36.5230 -36.5215 -36.5215 -36.4281 -36.4281 -36.4270 -36.4270 -8.6580 -8.6580 -8.6559 -8.6559 -0.7522 -0.7522 -0.0811 -0.0811 0.0535 0.0535 1.4513 1.4513 2.0697 2.0697 2.5773 2.5773 3.1813 3.1813 3.6518 3.6518 8.3903 8.3903 9.0781 9.0781 10.6706 10.6706 11.1344 11.1344 k = 0.3070 0.3070 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7794 -36.7794 -36.5230 -36.5230 -36.5215 -36.5215 -36.4281 -36.4281 -36.4269 -36.4269 -8.6656 -8.6656 -8.6635 -8.6635 -0.7577 -0.7577 -0.0474 -0.0474 0.0295 0.0295 1.4902 1.4902 2.1256 2.1256 2.6316 2.6316 3.1362 3.1362 3.6447 3.6447 8.3719 8.3719 9.0635 9.0635 10.5528 10.5528 11.0546 11.0546 k = 0.2982 0.2982 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7793 -36.7793 -36.5229 -36.5229 -36.5215 -36.5215 -36.4281 -36.4281 -36.4269 -36.4269 -8.6735 -8.6735 -8.6712 -8.6712 -0.7610 -0.7610 -0.0125 -0.0125 0.0078 0.0078 1.5306 1.5306 2.1794 2.1794 2.6828 2.6828 3.0908 3.0908 3.6371 3.6371 8.3586 8.3586 9.0469 9.0469 10.4342 10.4342 10.9753 10.9753 k = 0.2895 0.2895 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7793 -36.7793 -36.5229 -36.5229 -36.5215 -36.5215 -36.4281 -36.4281 -36.4269 -36.4269 -8.6815 -8.6815 -8.6792 -8.6792 -0.7621 -0.7621 -0.0115 -0.0115 0.0236 0.0236 1.5725 1.5725 2.2305 2.2305 2.7307 2.7307 3.0457 3.0457 3.6288 3.6288 8.3505 8.3505 9.0281 9.0281 10.3148 10.3148 10.8970 10.8970 k = 0.2807 0.2807 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7793 -36.7793 -36.5229 -36.5229 -36.5214 -36.5214 -36.4280 -36.4280 -36.4268 -36.4268 -8.6897 -8.6897 -8.6874 -8.6874 -0.7609 -0.7609 -0.0285 -0.0285 0.0606 0.0606 1.6156 1.6156 2.2778 2.2778 2.7754 2.7754 3.0018 3.0018 3.6198 3.6198 8.3477 8.3477 9.0069 9.0069 10.1951 10.1951 10.8200 10.8200 k = 0.2719 0.2719 0.3918 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7793 -36.7793 -36.5229 -36.5229 -36.5214 -36.5214 -36.4280 -36.4280 -36.4268 -36.4268 -8.6981 -8.6981 -8.6957 -8.6957 -0.7574 -0.7574 -0.0432 -0.0432 0.0987 0.0987 1.6600 1.6600 2.3200 2.3200 2.8167 2.8167 2.9604 2.9604 3.6101 3.6101 8.3505 8.3505 8.9832 8.9832 10.0753 10.0753 10.7446 10.7446 k = 0.2632 0.2632 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7793 -36.7793 -36.5229 -36.5229 -36.5214 -36.5214 -36.4280 -36.4280 -36.4268 -36.4268 -8.7065 -8.7065 -8.7041 -8.7041 -0.7516 -0.7516 -0.0557 -0.0557 0.1376 0.1376 1.7057 1.7057 2.3553 2.3553 2.8545 2.8545 2.9232 2.9232 3.5997 3.5997 8.3589 8.3589 8.9567 8.9567 9.9555 9.9555 10.6712 10.6712 k = 0.2544 0.2544 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4280 -36.4280 -36.4267 -36.4267 -8.7151 -8.7151 -8.7127 -8.7127 -0.7434 -0.7434 -0.0660 -0.0660 0.1774 0.1774 1.7525 1.7525 2.3811 2.3811 2.8889 2.8889 2.8927 2.8927 3.5885 3.5885 8.3729 8.3729 8.9273 8.9273 9.8362 9.8362 10.6001 10.6001 k = 0.2456 0.2456 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4280 -36.4280 -36.4267 -36.4267 -8.7237 -8.7237 -8.7213 -8.7213 -0.7329 -0.7329 -0.0743 -0.0743 0.2179 0.2179 1.8003 1.8003 2.3946 2.3946 2.8718 2.8718 2.9198 2.9198 3.5765 3.5765 8.3925 8.3925 8.8947 8.8947 9.7174 9.7174 10.5318 10.5318 k = 0.2368 0.2368 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4279 -36.4279 -36.4267 -36.4267 -8.7323 -8.7323 -8.7300 -8.7300 -0.7200 -0.7200 -0.0804 -0.0804 0.2591 0.2591 1.8490 1.8490 2.3934 2.3934 2.8626 2.8626 2.9474 2.9474 3.5638 3.5638 8.4176 8.4176 8.8589 8.8589 9.5996 9.5996 10.4664 10.4664 k = 0.2281 0.2281 0.3918 ( 4016 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4279 -36.4279 -36.4266 -36.4266 -8.7409 -8.7409 -8.7387 -8.7387 -0.7048 -0.7048 -0.0847 -0.0847 0.3007 0.3007 1.8986 1.8986 2.3773 2.3773 2.8657 2.8657 2.9715 2.9715 3.5505 3.5505 8.4480 8.4480 8.8197 8.8197 9.4828 9.4828 10.4043 10.4043 k = 0.2193 0.2193 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4279 -36.4279 -36.4266 -36.4266 -8.7496 -8.7496 -8.7473 -8.7473 -0.6873 -0.6873 -0.0871 -0.0871 0.3428 0.3428 1.9490 1.9490 2.3478 2.3478 2.8794 2.8794 2.9923 2.9923 3.5365 3.5365 8.4836 8.4836 8.7772 8.7772 9.3673 9.3673 10.3457 10.3457 k = 0.2105 0.2105 0.3918 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5213 -36.5213 -36.4278 -36.4278 -36.4266 -36.4266 -8.7581 -8.7581 -8.7560 -8.7560 -0.6676 -0.6676 -0.0877 -0.0877 0.3853 0.3853 1.9999 1.9999 2.3080 2.3080 2.9007 2.9007 3.0099 3.0099 3.5220 3.5220 8.5241 8.5241 8.7313 8.7313 9.2535 9.2535 10.2907 10.2907 k = 0.2018 0.2018 0.3918 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5228 -36.5228 -36.5213 -36.5213 -36.4278 -36.4278 -36.4266 -36.4266 -8.7666 -8.7666 -8.7645 -8.7645 -0.6456 -0.6456 -0.0866 -0.0866 0.4279 0.4279 2.0513 2.0513 2.2606 2.2606 2.9270 2.9270 3.0244 3.0244 3.5072 3.5072 8.5695 8.5695 8.6823 8.6823 9.1415 9.1415 10.2394 10.2394 k = 0.1930 0.1930 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5228 -36.5228 -36.5214 -36.5214 -36.4277 -36.4277 -36.4266 -36.4266 -8.7750 -8.7750 -8.7730 -8.7730 -0.6215 -0.6215 -0.0841 -0.0841 0.4705 0.4705 2.1031 2.1031 2.2078 2.2078 2.9559 2.9559 3.0357 3.0357 3.4922 3.4922 8.6189 8.6189 8.6305 8.6305 9.0316 9.0316 10.1919 10.1919 k = 0.1842 0.1842 0.3918 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7791 -36.7791 -36.5227 -36.5227 -36.5214 -36.5214 -36.4277 -36.4277 -36.4266 -36.4266 -8.7833 -8.7833 -8.7814 -8.7814 -0.5952 -0.5952 -0.0800 -0.0800 0.5131 0.5131 2.1507 2.1507 2.1554 2.1554 2.9861 2.9861 3.0439 3.0439 3.4772 3.4772 8.5755 8.5755 8.6731 8.6731 8.9241 8.9241 10.1481 10.1481 k = 0.1754 0.1754 0.3918 ( 4020 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7794 -36.7794 -36.7791 -36.7791 -36.5227 -36.5227 -36.5214 -36.5214 -36.4276 -36.4276 -36.4265 -36.4265 -8.7914 -8.7914 -8.7896 -8.7896 -0.5670 -0.5670 -0.0747 -0.0747 0.5555 0.5555 2.0917 2.0917 2.2071 2.2071 3.0166 3.0166 3.0493 3.0493 3.4624 3.4624 8.5184 8.5184 8.7305 8.7305 8.8191 8.8191 10.1079 10.1079 k = 0.1667 0.1667 0.3918 ( 4016 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7794 -36.7794 -36.7791 -36.7791 -36.5227 -36.5227 -36.5214 -36.5214 -36.4276 -36.4276 -36.4265 -36.4265 -8.7992 -8.7992 -8.7976 -8.7976 -0.5367 -0.5367 -0.0681 -0.0681 0.5974 0.5974 2.0304 2.0304 2.2589 2.2589 3.0464 3.0464 3.0520 3.0520 3.4481 3.4481 8.4594 8.4594 8.7170 8.7170 8.7914 8.7914 10.0712 10.0712 k = 0.1579 0.1579 0.3918 ( 3998 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7793 -36.7793 -36.7791 -36.7791 -36.5227 -36.5227 -36.5214 -36.5214 -36.4275 -36.4275 -36.4265 -36.4265 -8.8069 -8.8069 -8.8054 -8.8054 -0.5047 -0.5047 -0.0605 -0.0605 0.6389 0.6389 1.9677 1.9677 2.3104 2.3104 3.0513 3.0513 3.0761 3.0761 3.4344 3.4344 8.3990 8.3990 8.6180 8.6180 8.8551 8.8551 10.0378 10.0378 k = 0.1491 0.1491 0.3918 ( 3998 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7793 -36.7793 -36.7790 -36.7790 -36.5226 -36.5226 -36.5214 -36.5214 -36.4275 -36.4275 -36.4265 -36.4265 -8.8143 -8.8143 -8.8129 -8.8129 -0.4709 -0.4709 -0.0520 -0.0520 0.6796 0.6796 1.9041 1.9041 2.3613 2.3613 3.0485 3.0485 3.1042 3.1042 3.4215 3.4215 8.3376 8.3376 8.5223 8.5223 8.9212 8.9212 10.0075 10.0075 k = 0.1404 0.1404 0.3918 ( 3998 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7790 -36.7790 -36.5226 -36.5226 -36.5214 -36.5214 -36.4274 -36.4274 -36.4265 -36.4265 -8.8215 -8.8215 -8.8202 -8.8202 -0.4355 -0.4355 -0.0428 -0.0428 0.7194 0.7194 1.8399 1.8399 2.4114 2.4114 3.0432 3.0432 3.1310 3.1310 3.4096 3.4096 8.2757 8.2757 8.4302 8.4302 8.9893 8.9893 9.9801 9.9801 k = 0.1316 0.1316 0.3918 ( 4002 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7793 -36.7793 -36.7790 -36.7790 -36.5225 -36.5225 -36.5214 -36.5214 -36.4274 -36.4274 -36.4265 -36.4265 -8.8284 -8.8284 -8.8272 -8.8272 -0.3987 -0.3987 -0.0329 -0.0329 0.7582 0.7582 1.7755 1.7755 2.4606 2.4606 3.0357 3.0357 3.1562 3.1562 3.3988 3.3988 8.2140 8.2140 8.3420 8.3420 9.0588 9.0588 9.9554 9.9554 k = 0.1228 0.1228 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5225 -36.5225 -36.5214 -36.5214 -36.4273 -36.4273 -36.4265 -36.4265 -8.8349 -8.8349 -8.8339 -8.8339 -0.3606 -0.3606 -0.0226 -0.0226 0.7957 0.7957 1.7112 1.7112 2.5085 2.5085 3.0263 3.0263 3.1799 3.1799 3.3891 3.3891 8.1529 8.1529 8.2580 8.2580 9.1293 9.1293 9.9331 9.9331 k = 0.1140 0.1140 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5224 -36.5224 -36.5214 -36.5214 -36.4273 -36.4273 -36.4265 -36.4265 -8.8411 -8.8411 -8.8402 -8.8402 -0.3214 -0.3214 -0.0121 -0.0121 0.8318 0.8318 1.6474 1.6474 2.5549 2.5549 3.0154 3.0154 3.2020 3.2020 3.3805 3.3805 8.0931 8.0931 8.1783 8.1783 9.2000 9.2000 9.9132 9.9132 k = 0.1053 0.1053 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5224 -36.5224 -36.5215 -36.5215 -36.4272 -36.4272 -36.4265 -36.4265 -8.8470 -8.8470 -8.8462 -8.8462 -0.2813 -0.2813 -0.0014 -0.0014 0.8663 0.8663 1.5842 1.5842 2.5995 2.5995 3.0033 3.0033 3.2224 3.2224 3.3730 3.3730 8.0350 8.0350 8.1032 8.1032 9.2703 9.2703 9.8953 9.8953 k = 0.0965 0.0965 0.3918 ( 3990 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7792 -36.7792 -36.7790 -36.7790 -36.5224 -36.5224 -36.5215 -36.5215 -36.4272 -36.4272 -36.4265 -36.4265 -8.8524 -8.8524 -8.8517 -8.8517 -0.2408 -0.2408 0.0092 0.0092 0.8989 0.8989 1.5222 1.5222 2.6420 2.6420 2.9904 2.9904 3.2412 3.2412 3.3664 3.3664 7.9792 7.9792 8.0330 8.0330 9.3397 9.3397 9.8794 9.8794 k = 0.0877 0.0877 0.3918 ( 3998 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5223 -36.5223 -36.5215 -36.5215 -36.4271 -36.4271 -36.4265 -36.4265 -8.8575 -8.8575 -8.8569 -8.8569 -0.2000 -0.2000 0.0196 0.0196 0.9294 0.9294 1.4616 1.4616 2.6821 2.6821 2.9772 2.9772 3.2582 3.2582 3.3608 3.3608 7.9262 7.9262 7.9680 7.9680 9.4072 9.4072 9.8654 9.8654 k = 0.0789 0.0789 0.3918 ( 4002 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5223 -36.5223 -36.5216 -36.5216 -36.4271 -36.4271 -36.4265 -36.4265 -8.8621 -8.8621 -8.8616 -8.8616 -0.1594 -0.1594 0.0296 0.0296 0.9578 0.9578 1.4031 1.4031 2.7196 2.7196 2.9639 2.9639 3.2735 3.2735 3.3559 3.3559 7.8765 7.8765 7.9083 7.9083 9.4723 9.4723 9.8529 9.8529 k = 0.0702 0.0702 0.3918 ( 4000 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5222 -36.5222 -36.5216 -36.5216 -36.4271 -36.4271 -36.4265 -36.4265 -8.8663 -8.8663 -8.8659 -8.8659 -0.1194 -0.1194 0.0391 0.0391 0.9837 0.9837 1.3470 1.3470 2.7541 2.7541 2.9510 2.9510 3.2872 3.2872 3.3518 3.3518 7.8305 7.8305 7.8542 7.8542 9.5340 9.5340 9.8421 9.8421 k = 0.0614 0.0614 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5222 -36.5222 -36.5216 -36.5216 -36.4270 -36.4270 -36.4265 -36.4265 -8.8700 -8.8700 -8.8697 -8.8697 -0.0808 -0.0808 0.0478 0.0478 1.0071 1.0071 1.2940 1.2940 2.7855 2.7855 2.9389 2.9389 3.2992 3.2992 3.3484 3.3484 7.7888 7.7888 7.8059 7.8059 9.5915 9.5915 9.8328 9.8328 k = 0.0526 0.0526 0.3918 ( 3984 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7791 -36.7791 -36.7790 -36.7790 -36.5221 -36.5221 -36.5216 -36.5216 -36.4270 -36.4270 -36.4265 -36.4265 -8.8733 -8.8733 -8.8730 -8.8730 -0.0441 -0.0441 0.0557 0.0557 1.0277 1.0277 1.2449 1.2449 2.8133 2.8133 2.9277 2.9277 3.3096 3.3096 3.3455 3.3455 7.7517 7.7517 7.7637 7.7637 9.6439 9.6439 9.8248 9.8248 k = 0.0439 0.0439 0.3918 ( 3980 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5221 -36.5221 -36.5217 -36.5217 -36.4269 -36.4269 -36.4266 -36.4266 -8.8760 -8.8760 -8.8759 -8.8759 -0.0103 -0.0103 0.0627 0.0627 1.0455 1.0455 1.2005 1.2005 2.8373 2.8373 2.9178 2.9178 3.3184 3.3184 3.3432 3.3432 7.7197 7.7197 7.7275 7.7275 9.6902 9.6902 9.8182 9.8182 k = 0.0351 0.0351 0.3918 ( 3976 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5220 -36.5220 -36.5217 -36.5217 -36.4269 -36.4269 -36.4266 -36.4266 -8.8783 -8.8783 -8.8782 -8.8782 0.0196 0.0196 0.0685 0.0685 1.0602 1.0602 1.1619 1.1619 2.8573 2.8573 2.9093 2.9093 3.3255 3.3255 3.3413 3.3413 7.6930 7.6930 7.6978 7.6978 9.7297 9.7297 9.8128 9.8128 k = 0.0263 0.0263 0.3918 ( 3980 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5220 -36.5220 -36.5217 -36.5217 -36.4268 -36.4268 -36.4266 -36.4266 -8.8801 -8.8801 -8.8801 -8.8801 0.0446 0.0446 0.0732 0.0732 1.0717 1.0717 1.1302 1.1302 2.8730 2.8730 2.9026 2.9026 3.3310 3.3310 3.3399 3.3399 7.6719 7.6719 7.6745 7.6745 9.7613 9.7613 9.8087 9.8087 k = 0.0175 0.0175 0.3918 ( 3984 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5218 -36.5218 -36.4268 -36.4268 -36.4266 -36.4266 -8.8814 -8.8814 -8.8814 -8.8814 0.0635 0.0635 0.0765 0.0765 1.0800 1.0800 1.1064 1.1064 2.8844 2.8844 2.8976 2.8976 3.3350 3.3350 3.3389 3.3389 7.6566 7.6566 7.6578 7.6578 9.7845 9.7845 9.8058 9.8058 k = 0.0088 0.0088 0.3918 ( 3988 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5218 -36.5218 -36.4268 -36.4268 -36.4267 -36.4267 -8.8822 -8.8822 -8.8822 -8.8822 0.0753 0.0753 0.0786 0.0786 1.0850 1.0850 1.0917 1.0917 2.8913 2.8913 2.8946 2.8946 3.3373 3.3373 3.3383 3.3383 7.6474 7.6474 7.6477 7.6477 9.7987 9.7987 9.8040 9.8040 k = 0.0000 0.0000 0.3918 ( 3992 PWs) bands (ev): -69.8264 -69.8264 -69.8264 -69.8264 -36.7790 -36.7790 -36.7790 -36.7790 -36.5219 -36.5219 -36.5219 -36.5219 -36.4267 -36.4267 -36.4267 -36.4267 -8.8824 -8.8824 -8.8824 -8.8824 0.0793 0.0793 0.0793 0.0793 1.0867 1.0867 1.0867 1.0867 2.8936 2.8936 2.8936 2.8936 3.3381 3.3381 3.3381 3.3381 7.6444 7.6444 7.6444 7.6444 9.8034 9.8034 9.8034 9.8034 k = 0.0000 0.5000-0.0000 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5222 -36.5222 -36.4274 -36.4274 -36.4274 -36.4274 -8.7414 -8.7414 -8.7414 -8.7414 -0.5627 -0.5627 -0.5627 -0.5627 1.6208 1.6208 1.6208 1.6208 2.1163 2.1163 2.1163 2.1163 3.3620 3.3620 3.3620 3.3620 9.3690 9.3690 9.3690 9.3690 9.4683 9.4683 9.4683 9.4683 k = 0.0000 0.5000 0.0122 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5222 -36.5222 -36.5221 -36.5221 -36.4274 -36.4274 -36.4273 -36.4273 -8.7413 -8.7413 -8.7413 -8.7413 -0.5642 -0.5642 -0.5641 -0.5641 1.6225 1.6225 1.6226 1.6226 2.1166 2.1166 2.1167 2.1167 3.3613 3.3613 3.3614 3.3614 9.3476 9.3476 9.3493 9.3493 9.4860 9.4860 9.4877 9.4877 k = 0.0000 0.5000 0.0245 ( 4038 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5223 -36.5223 -36.5220 -36.5220 -36.4275 -36.4275 -36.4273 -36.4273 -8.7411 -8.7411 -8.7410 -8.7410 -0.5684 -0.5684 -0.5684 -0.5684 1.6278 1.6278 1.6279 1.6279 2.1176 2.1176 2.1177 2.1177 3.3593 3.3593 3.3596 3.3596 9.3051 9.3051 9.3072 9.3072 9.5221 9.5221 9.5243 9.5243 k = 0.0000 0.5000 0.0367 ( 4034 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5223 -36.5223 -36.5220 -36.5220 -36.4275 -36.4275 -36.4272 -36.4272 -8.7406 -8.7406 -8.7406 -8.7406 -0.5754 -0.5754 -0.5754 -0.5754 1.6364 1.6364 1.6366 1.6366 2.1194 2.1194 2.1195 2.1195 3.3560 3.3560 3.3564 3.3564 9.2555 9.2555 9.2577 9.2577 9.5619 9.5619 9.5643 9.5643 k = 0.0000 0.5000 0.0490 ( 4034 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7794 -36.7794 -36.7794 -36.7794 -36.5224 -36.5224 -36.5219 -36.5219 -36.4276 -36.4276 -36.4272 -36.4272 -8.7399 -8.7399 -8.7399 -8.7399 -0.5851 -0.5851 -0.5850 -0.5850 1.6483 1.6483 1.6486 1.6486 2.1218 2.1218 2.1220 2.1220 3.3513 3.3513 3.3519 3.3519 9.2023 9.2023 9.2046 9.2046 9.6021 9.6021 9.6045 9.6045 k = 0.0000 0.5000 0.0612 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7794 -36.7794 -36.5224 -36.5224 -36.5219 -36.5219 -36.4276 -36.4276 -36.4272 -36.4272 -8.7391 -8.7391 -8.7391 -8.7391 -0.5972 -0.5972 -0.5971 -0.5971 1.6634 1.6634 1.6637 1.6637 2.1249 2.1249 2.1251 2.1251 3.3454 3.3454 3.3461 3.3461 9.1468 9.1468 9.1491 9.1491 9.6418 9.6418 9.6443 9.6443 k = 0.0000 0.5000 0.0735 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5225 -36.5225 -36.5218 -36.5218 -36.4276 -36.4276 -36.4271 -36.4271 -8.7381 -8.7381 -8.7381 -8.7381 -0.6116 -0.6116 -0.6115 -0.6115 1.6814 1.6814 1.6818 1.6818 2.1287 2.1287 2.1290 2.1290 3.3382 3.3382 3.3390 3.3390 9.0896 9.0896 9.0919 9.0919 9.6812 9.6812 9.6837 9.6837 k = 0.0000 0.5000 0.0857 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5225 -36.5225 -36.5218 -36.5218 -36.4277 -36.4277 -36.4271 -36.4271 -8.7370 -8.7370 -8.7369 -8.7369 -0.6280 -0.6280 -0.6279 -0.6279 1.7020 1.7020 1.7026 1.7026 2.1331 2.1331 2.1335 2.1335 3.3298 3.3298 3.3307 3.3307 9.0310 9.0310 9.0334 9.0334 9.7201 9.7201 9.7227 9.7227 k = 0.0000 0.5000 0.0979 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5226 -36.5226 -36.5217 -36.5217 -36.4277 -36.4277 -36.4270 -36.4270 -8.7357 -8.7357 -8.7356 -8.7356 -0.6462 -0.6462 -0.6461 -0.6461 1.7252 1.7252 1.7258 1.7258 2.1382 2.1382 2.1386 2.1386 3.3201 3.3201 3.3212 3.3212 8.9717 8.9717 8.9741 8.9741 9.7589 9.7589 9.7615 9.7615 k = 0.0000 0.5000 0.1102 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5226 -36.5226 -36.5217 -36.5217 -36.4278 -36.4278 -36.4270 -36.4270 -8.7343 -8.7343 -8.7342 -8.7342 -0.6659 -0.6659 -0.6658 -0.6658 1.7504 1.7504 1.7511 1.7511 2.1439 2.1439 2.1443 2.1443 3.3092 3.3092 3.3104 3.3104 8.9119 8.9119 8.9143 8.9143 9.7977 9.7977 9.8003 9.8003 k = 0.0000 0.5000 0.1224 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5226 -36.5226 -36.5216 -36.5216 -36.4278 -36.4278 -36.4269 -36.4269 -8.7327 -8.7327 -8.7327 -8.7327 -0.6870 -0.6870 -0.6869 -0.6869 1.7776 1.7776 1.7784 1.7784 2.1503 2.1503 2.1507 2.1507 3.2971 3.2971 3.2984 3.2984 8.8521 8.8521 8.8545 8.8545 9.8368 9.8368 9.8394 9.8394 k = 0.0000 0.5000 0.1347 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5227 -36.5227 -36.5216 -36.5216 -36.4278 -36.4278 -36.4269 -36.4269 -8.7310 -8.7310 -8.7310 -8.7310 -0.7090 -0.7090 -0.7089 -0.7089 1.8064 1.8064 1.8073 1.8073 2.1572 2.1572 2.1577 2.1577 3.2838 3.2838 3.2853 3.2853 8.7925 8.7925 8.7950 8.7950 9.8760 9.8760 9.8786 9.8786 k = 0.0000 0.5000 0.1469 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5227 -36.5227 -36.5215 -36.5215 -36.4278 -36.4278 -36.4268 -36.4268 -8.7293 -8.7293 -8.7292 -8.7292 -0.7317 -0.7317 -0.7316 -0.7316 1.8365 1.8365 1.8375 1.8375 2.1648 2.1648 2.1652 2.1652 3.2695 3.2695 3.2710 3.2710 8.7335 8.7335 8.7361 8.7361 9.9155 9.9155 9.9181 9.9181 k = 0.0000 0.5000 0.1592 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7793 -36.7793 -36.5228 -36.5228 -36.5215 -36.5215 -36.4279 -36.4279 -36.4268 -36.4268 -8.7275 -8.7275 -8.7274 -8.7274 -0.7550 -0.7550 -0.7549 -0.7549 1.8675 1.8675 1.8686 1.8686 2.1729 2.1729 2.1734 2.1734 3.2540 3.2540 3.2557 3.2557 8.6755 8.6755 8.6782 8.6782 9.9552 9.9552 9.9579 9.9579 k = 0.0000 0.5000 0.1714 ( 4006 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5228 -36.5228 -36.5214 -36.5214 -36.4279 -36.4279 -36.4268 -36.4268 -8.7256 -8.7256 -8.7255 -8.7255 -0.7785 -0.7785 -0.7784 -0.7784 1.8993 1.8993 1.9005 1.9005 2.1817 2.1817 2.1822 2.1822 3.2375 3.2375 3.2393 3.2393 8.6188 8.6188 8.6215 8.6215 9.9952 9.9952 9.9978 9.9978 k = 0.0000 0.5000 0.1836 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5214 -36.5214 -36.4279 -36.4279 -36.4267 -36.4267 -8.7236 -8.7236 -8.7236 -8.7236 -0.8020 -0.8020 -0.8019 -0.8019 1.9313 1.9313 1.9327 1.9327 2.1912 2.1912 2.1916 2.1916 3.2200 3.2200 3.2219 3.2219 8.5636 8.5636 8.5663 8.5663 10.0352 10.0352 10.0379 10.0379 k = 0.0000 0.5000 0.1959 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5213 -36.5213 -36.4280 -36.4280 -36.4267 -36.4267 -8.7217 -8.7217 -8.7216 -8.7216 -0.8253 -0.8253 -0.8252 -0.8252 1.9633 1.9633 1.9648 1.9648 2.2014 2.2014 2.2018 2.2018 3.2016 3.2016 3.2036 3.2036 8.5102 8.5102 8.5130 8.5130 10.0751 10.0751 10.0778 10.0778 k = 0.0000 0.5000 0.2081 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5229 -36.5229 -36.5213 -36.5213 -36.4280 -36.4280 -36.4267 -36.4267 -8.7197 -8.7197 -8.7197 -8.7197 -0.8482 -0.8482 -0.8480 -0.8480 1.9948 1.9948 1.9965 1.9965 2.2126 2.2126 2.2129 2.2129 3.1823 3.1823 3.1845 3.1845 8.4588 8.4588 8.4617 8.4617 10.1148 10.1148 10.1174 10.1174 k = 0.0000 0.5000 0.2204 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7795 -36.7795 -36.7792 -36.7792 -36.5230 -36.5230 -36.5213 -36.5213 -36.4280 -36.4280 -36.4266 -36.4266 -8.7178 -8.7178 -8.7177 -8.7177 -0.8705 -0.8705 -0.8703 -0.8703 2.0254 2.0254 2.0273 2.0273 2.2248 2.2248 2.2251 2.2251 3.1623 3.1623 3.1646 3.1646 8.4096 8.4096 8.4126 8.4126 10.1539 10.1539 10.1565 10.1565 k = 0.0000 0.5000 0.2326 ( 4010 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5230 -36.5230 -36.5213 -36.5213 -36.4280 -36.4280 -36.4266 -36.4266 -8.7159 -8.7159 -8.7158 -8.7158 -0.8919 -0.8919 -0.8918 -0.8918 2.0545 2.0545 2.0566 2.0566 2.2384 2.2384 2.2386 2.2386 3.1417 3.1417 3.1440 3.1440 8.3630 8.3630 8.3660 8.3660 10.1922 10.1922 10.1948 10.1948 k = 0.0000 0.5000 0.2449 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5231 -36.5231 -36.5213 -36.5213 -36.4281 -36.4281 -36.4266 -36.4266 -8.7141 -8.7141 -8.7140 -8.7140 -0.9125 -0.9125 -0.9123 -0.9123 2.0815 2.0815 2.0839 2.0839 2.2536 2.2536 2.2536 2.2536 3.1204 3.1204 3.1229 3.1229 8.3190 8.3190 8.3221 8.3221 10.2294 10.2294 10.2320 10.2320 k = 0.0000 0.5000 0.2571 ( 4018 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5231 -36.5231 -36.5212 -36.5212 -36.4281 -36.4281 -36.4266 -36.4266 -8.7123 -8.7123 -8.7122 -8.7122 -0.9319 -0.9319 -0.9317 -0.9317 2.1060 2.1060 2.1087 2.1087 2.2706 2.2706 2.2707 2.2707 3.0988 3.0988 3.1014 3.1014 8.2779 8.2779 8.2811 8.2811 10.2652 10.2652 10.2678 10.2678 k = 0.0000 0.5000 0.2693 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5212 -36.5212 -36.4281 -36.4281 -36.4266 -36.4266 -8.7106 -8.7106 -8.7105 -8.7105 -0.9501 -0.9501 -0.9499 -0.9499 2.1275 2.1275 2.1304 2.1304 2.2894 2.2894 2.2896 2.2896 3.0770 3.0770 3.0797 3.0797 8.2398 8.2398 8.2430 8.2430 10.2992 10.2992 10.3018 10.3018 k = 0.0000 0.5000 0.2816 ( 4026 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4266 -36.4266 -8.7090 -8.7090 -8.7089 -8.7089 -0.9669 -0.9669 -0.9667 -0.9667 2.1459 2.1459 2.1490 2.1490 2.3101 2.3101 2.3104 2.3104 3.0551 3.0551 3.0579 3.0579 8.2048 8.2048 8.2081 8.2081 10.3311 10.3311 10.3337 10.3337 k = 0.0000 0.5000 0.2938 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5212 -36.5212 -36.4282 -36.4282 -36.4265 -36.4265 -8.7076 -8.7076 -8.7075 -8.7075 -0.9822 -0.9822 -0.9821 -0.9821 2.1614 2.1614 2.1646 2.1646 2.3321 2.3321 2.3323 2.3323 3.0335 3.0335 3.0364 3.0364 8.1732 8.1732 8.1765 8.1765 10.3607 10.3607 10.3633 10.3633 k = 0.0000 0.5000 0.3061 ( 4022 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7062 -8.7062 -8.7061 -8.7061 -0.9960 -0.9960 -0.9958 -0.9958 2.1740 2.1740 2.1773 2.1773 2.3547 2.3547 2.3549 2.3549 3.0124 3.0124 3.0154 3.0154 8.1450 8.1450 8.1484 8.1484 10.3876 10.3876 10.3902 10.3902 k = 0.0000 0.5000 0.3183 ( 4014 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7051 -8.7051 -8.7050 -8.7050 -1.0081 -1.0081 -1.0079 -1.0079 2.1844 2.1844 2.1877 2.1877 2.3771 2.3771 2.3771 2.3771 2.9922 2.9922 2.9954 2.9954 8.1203 8.1203 8.1238 8.1238 10.4116 10.4116 10.4141 10.4141 k = 0.0000 0.5000 0.3306 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7040 -8.7040 -8.7039 -8.7039 -1.0184 -1.0184 -1.0183 -1.0183 2.1926 2.1926 2.1960 2.1960 2.3983 2.3983 2.3983 2.3983 2.9734 2.9734 2.9767 2.9767 8.0993 8.0993 8.1028 8.1028 10.4323 10.4323 10.4348 10.4348 k = 0.0000 0.5000 0.3428 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7032 -8.7032 -8.7031 -8.7031 -1.0270 -1.0270 -1.0268 -1.0268 2.1991 2.1991 2.2025 2.2025 2.4173 2.4173 2.4175 2.4175 2.9566 2.9566 2.9601 2.9601 8.0820 8.0820 8.0855 8.0855 10.4495 10.4495 10.4520 10.4520 k = 0.0000 0.5000 0.3550 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7025 -8.7025 -8.7024 -8.7024 -1.0337 -1.0337 -1.0335 -1.0335 2.2040 2.2040 2.2074 2.2074 2.4335 2.4335 2.4337 2.4337 2.9425 2.9425 2.9461 2.9461 8.0684 8.0684 8.0720 8.0720 10.4631 10.4631 10.4656 10.4656 k = 0.0000 0.5000 0.3673 ( 4008 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5233 -36.5233 -36.5211 -36.5211 -36.4282 -36.4282 -36.4265 -36.4265 -8.7020 -8.7020 -8.7020 -8.7020 -1.0385 -1.0385 -1.0384 -1.0384 2.2074 2.2074 2.2109 2.2109 2.4458 2.4458 2.4461 2.4461 2.9317 2.9317 2.9354 2.9354 8.0587 8.0587 8.0623 8.0623 10.4729 10.4729 10.4755 10.4755 k = 0.0000 0.5000 0.3795 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7792 -36.7792 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7018 -8.7018 -8.7017 -8.7017 -1.0414 -1.0414 -1.0413 -1.0413 2.2094 2.2094 2.2129 2.2129 2.4535 2.4535 2.4539 2.4539 2.9249 2.9249 2.9286 2.9286 8.0529 8.0529 8.0565 8.0565 10.4789 10.4789 10.4814 10.4814 k = 0.0000 0.5000 0.3918 ( 3980 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7796 -36.7796 -36.7791 -36.7791 -36.5232 -36.5232 -36.5210 -36.5210 -36.4282 -36.4282 -36.4264 -36.4264 -8.7016 -8.7016 -8.7016 -8.7016 -1.0424 -1.0424 -1.0422 -1.0422 2.2101 2.2101 2.2136 2.2136 2.4562 2.4562 2.4566 2.4566 2.9226 2.9226 2.9264 2.9264 8.0510 8.0510 8.0546 8.0546 10.4809 10.4809 10.4834 10.4834 k = 0.5000 0.5000-0.0000 ( 4056 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6009 -8.6009 -8.6009 -8.6009 -0.8564 -0.8564 -0.8564 -0.8564 1.9026 1.9026 1.9026 1.9026 1.9952 1.9952 1.9952 1.9952 2.8169 2.8169 2.8169 2.8169 7.8969 7.8969 7.8969 7.8969 10.2578 10.2578 10.2578 10.2578 k = 0.5000 0.5000 0.0122 ( 4060 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5225 -36.5225 -36.5225 -36.5225 -36.4279 -36.4279 -36.4279 -36.4279 -8.6009 -8.6009 -8.6009 -8.6009 -0.8557 -0.8557 -0.8557 -0.8557 1.9006 1.9006 1.9006 1.9006 1.9910 1.9910 1.9910 1.9910 2.8213 2.8213 2.8213 2.8213 7.8998 7.8998 7.8998 7.8998 10.2595 10.2595 10.2595 10.2595 k = 0.5000 0.5000 0.0245 ( 4060 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5225 -36.5225 -36.5225 -36.5225 -36.4279 -36.4279 -36.4279 -36.4279 -8.6007 -8.6007 -8.6007 -8.6007 -0.8535 -0.8535 -0.8535 -0.8535 1.8946 1.8946 1.8946 1.8946 1.9786 1.9786 1.9786 1.9786 2.8341 2.8341 2.8341 2.8341 7.9085 7.9085 7.9085 7.9085 10.2646 10.2646 10.2646 10.2646 k = 0.5000 0.5000 0.0367 ( 4044 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.6003 -8.6003 -8.6003 -8.6003 -0.8498 -0.8498 -0.8498 -0.8498 1.8847 1.8847 1.8847 1.8847 1.9590 1.9590 1.9590 1.9590 2.8546 2.8546 2.8546 2.8546 7.9231 7.9231 7.9231 7.9231 10.2731 10.2731 10.2731 10.2731 k = 0.5000 0.5000 0.0490 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5998 -8.5998 -8.5998 -8.5998 -0.8447 -0.8447 -0.8447 -0.8447 1.8709 1.8709 1.8709 1.8709 1.9331 1.9331 1.9331 1.9331 2.8815 2.8815 2.8815 2.8815 7.9432 7.9432 7.9432 7.9432 10.2851 10.2851 10.2851 10.2851 k = 0.5000 0.5000 0.0612 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5992 -8.5992 -8.5992 -8.5992 -0.8382 -0.8382 -0.8382 -0.8382 1.8535 1.8535 1.8535 1.8535 1.9022 1.9022 1.9022 1.9022 2.9137 2.9137 2.9137 2.9137 7.9686 7.9686 7.9686 7.9686 10.3003 10.3003 10.3003 10.3003 k = 0.5000 0.5000 0.0735 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5985 -8.5985 -8.5985 -8.5985 -0.8303 -0.8303 -0.8303 -0.8303 1.8325 1.8325 1.8325 1.8325 1.8675 1.8675 1.8675 1.8675 2.9500 2.9500 2.9500 2.9500 7.9993 7.9993 7.9993 7.9993 10.3189 10.3189 10.3189 10.3189 k = 0.5000 0.5000 0.0857 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5977 -8.5977 -8.5977 -8.5977 -0.8211 -0.8211 -0.8211 -0.8211 1.8081 1.8081 1.8081 1.8081 1.8300 1.8300 1.8300 1.8300 2.9893 2.9893 2.9893 2.9893 8.0349 8.0349 8.0349 8.0349 10.3408 10.3408 10.3408 10.3408 k = 0.5000 0.5000 0.0979 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5967 -8.5967 -8.5967 -8.5967 -0.8105 -0.8105 -0.8105 -0.8105 1.7804 1.7804 1.7804 1.7804 1.7908 1.7908 1.7908 1.7908 3.0307 3.0307 3.0307 3.0307 8.0750 8.0750 8.0750 8.0750 10.3658 10.3658 10.3658 10.3658 k = 0.5000 0.5000 0.1102 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5957 -8.5957 -8.5957 -8.5957 -0.7986 -0.7986 -0.7986 -0.7986 1.7476 1.7476 1.7476 1.7476 1.7528 1.7528 1.7528 1.7528 3.0735 3.0735 3.0735 3.0735 8.1194 8.1194 8.1194 8.1194 10.3941 10.3941 10.3941 10.3941 k = 0.5000 0.5000 0.1224 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5945 -8.5945 -8.5945 -8.5945 -0.7855 -0.7855 -0.7855 -0.7855 1.7076 1.7076 1.7076 1.7076 1.7188 1.7188 1.7188 1.7188 3.1171 3.1171 3.1171 3.1171 8.1675 8.1675 8.1675 8.1675 10.4254 10.4254 10.4254 10.4254 k = 0.5000 0.5000 0.1347 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5933 -8.5933 -8.5933 -8.5933 -0.7712 -0.7712 -0.7712 -0.7712 1.6664 1.6664 1.6664 1.6664 1.6837 1.6837 1.6837 1.6837 3.1610 3.1610 3.1610 3.1610 8.2191 8.2191 8.2191 8.2191 10.4596 10.4596 10.4596 10.4596 k = 0.5000 0.5000 0.1469 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5920 -8.5920 -8.5920 -8.5920 -0.7558 -0.7558 -0.7558 -0.7558 1.6252 1.6252 1.6252 1.6252 1.6468 1.6468 1.6468 1.6468 3.2047 3.2047 3.2047 3.2047 8.2735 8.2735 8.2735 8.2735 10.4967 10.4967 10.4967 10.4967 k = 0.5000 0.5000 0.1592 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5907 -8.5907 -8.5907 -8.5907 -0.7394 -0.7394 -0.7394 -0.7394 1.5847 1.5847 1.5847 1.5847 1.6083 1.6083 1.6083 1.6083 3.2479 3.2479 3.2479 3.2479 8.3305 8.3305 8.3305 8.3305 10.5365 10.5365 10.5365 10.5365 k = 0.5000 0.5000 0.1714 ( 3996 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5893 -8.5893 -8.5893 -8.5893 -0.7220 -0.7220 -0.7220 -0.7220 1.5450 1.5450 1.5450 1.5450 1.5686 1.5686 1.5686 1.5686 3.2902 3.2902 3.2902 3.2902 8.3894 8.3894 8.3894 8.3894 10.5789 10.5789 10.5789 10.5789 k = 0.5000 0.5000 0.1836 ( 3996 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5879 -8.5879 -8.5879 -8.5879 -0.7038 -0.7038 -0.7038 -0.7038 1.5064 1.5064 1.5064 1.5064 1.5279 1.5279 1.5279 1.5279 3.3315 3.3315 3.3315 3.3315 8.4498 8.4498 8.4498 8.4498 10.6235 10.6235 10.6235 10.6235 k = 0.5000 0.5000 0.1959 ( 3996 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5865 -8.5865 -8.5865 -8.5865 -0.6849 -0.6849 -0.6849 -0.6849 1.4691 1.4691 1.4691 1.4691 1.4866 1.4866 1.4866 1.4866 3.3714 3.3714 3.3714 3.3714 8.5111 8.5111 8.5111 8.5111 10.6703 10.6703 10.6703 10.6703 k = 0.5000 0.5000 0.2081 ( 3996 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5851 -8.5851 -8.5851 -8.5851 -0.6654 -0.6654 -0.6654 -0.6654 1.4333 1.4333 1.4333 1.4333 1.4451 1.4451 1.4451 1.4451 3.4098 3.4098 3.4098 3.4098 8.5728 8.5728 8.5728 8.5728 10.7189 10.7189 10.7189 10.7189 k = 0.5000 0.5000 0.2204 ( 4004 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5837 -8.5837 -8.5837 -8.5837 -0.6455 -0.6455 -0.6455 -0.6455 1.3987 1.3987 1.3987 1.3987 1.4040 1.4040 1.4040 1.4040 3.4464 3.4464 3.4464 3.4464 8.6343 8.6343 8.6343 8.6343 10.7690 10.7690 10.7690 10.7690 k = 0.5000 0.5000 0.2326 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5823 -8.5823 -8.5823 -8.5823 -0.6253 -0.6253 -0.6253 -0.6253 1.3615 1.3615 1.3615 1.3615 1.3679 1.3679 1.3679 1.3679 3.4811 3.4811 3.4811 3.4811 8.6950 8.6950 8.6950 8.6950 10.8202 10.8202 10.8202 10.8202 k = 0.5000 0.5000 0.2449 ( 4000 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5223 -36.5223 -36.5223 -36.5223 -36.4279 -36.4279 -36.4279 -36.4279 -8.5810 -8.5810 -8.5810 -8.5810 -0.6050 -0.6050 -0.6050 -0.6050 1.3215 1.3215 1.3215 1.3215 1.3372 1.3372 1.3372 1.3372 3.5138 3.5138 3.5138 3.5138 8.7545 8.7545 8.7545 8.7545 10.8721 10.8721 10.8721 10.8721 k = 0.5000 0.5000 0.2571 ( 4012 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5797 -8.5797 -8.5797 -8.5797 -0.5849 -0.5849 -0.5849 -0.5849 1.2824 1.2824 1.2824 1.2824 1.3089 1.3089 1.3089 1.3089 3.5444 3.5444 3.5444 3.5444 8.8120 8.8120 8.8120 8.8120 10.9243 10.9243 10.9243 10.9243 k = 0.5000 0.5000 0.2693 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5785 -8.5785 -8.5785 -8.5785 -0.5651 -0.5651 -0.5651 -0.5651 1.2448 1.2448 1.2448 1.2448 1.2827 1.2827 1.2827 1.2827 3.5726 3.5726 3.5726 3.5726 8.8670 8.8670 8.8670 8.8670 10.9760 10.9760 10.9760 10.9760 k = 0.5000 0.5000 0.2816 ( 4020 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5773 -8.5773 -8.5773 -8.5773 -0.5459 -0.5459 -0.5459 -0.5459 1.2090 1.2090 1.2090 1.2090 1.2588 1.2588 1.2588 1.2588 3.5984 3.5984 3.5984 3.5984 8.9190 8.9190 8.9190 8.9190 11.0268 11.0268 11.0268 11.0268 k = 0.5000 0.5000 0.2938 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5763 -8.5763 -8.5763 -8.5763 -0.5276 -0.5276 -0.5276 -0.5276 1.1756 1.1756 1.1756 1.1756 1.2372 1.2372 1.2372 1.2372 3.6218 3.6218 3.6218 3.6218 8.9673 8.9673 8.9673 8.9673 11.0758 11.0758 11.0758 11.0758 k = 0.5000 0.5000 0.3061 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5753 -8.5753 -8.5753 -8.5753 -0.5104 -0.5104 -0.5104 -0.5104 1.1448 1.1448 1.1448 1.1448 1.2180 1.2180 1.2180 1.2180 3.6426 3.6426 3.6426 3.6426 9.0115 9.0115 9.0115 9.0115 11.1222 11.1222 11.1222 11.1222 k = 0.5000 0.5000 0.3183 ( 4028 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5745 -8.5745 -8.5745 -8.5745 -0.4947 -0.4947 -0.4947 -0.4947 1.1171 1.1171 1.1171 1.1171 1.2013 1.2013 1.2013 1.2013 3.6607 3.6607 3.6607 3.6607 9.0509 9.0509 9.0509 9.0509 11.1652 11.1652 11.1652 11.1652 k = 0.5000 0.5000 0.3306 ( 4036 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5737 -8.5737 -8.5737 -8.5737 -0.4808 -0.4808 -0.4808 -0.4808 1.0929 1.0929 1.0929 1.0929 1.1871 1.1871 1.1871 1.1871 3.6762 3.6762 3.6762 3.6762 9.0852 9.0852 9.0852 9.0852 11.2038 11.2038 11.2038 11.2038 k = 0.5000 0.5000 0.3428 ( 4032 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7797 -36.7797 -36.7797 -36.7797 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5731 -8.5731 -8.5731 -8.5731 -0.4689 -0.4689 -0.4689 -0.4689 1.0726 1.0726 1.0726 1.0726 1.1753 1.1753 1.1753 1.1753 3.6889 3.6889 3.6889 3.6889 9.1139 9.1139 9.1139 9.1139 11.2371 11.2371 11.2371 11.2371 k = 0.5000 0.5000 0.3550 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5726 -8.5726 -8.5726 -8.5726 -0.4594 -0.4594 -0.4594 -0.4594 1.0563 1.0563 1.0563 1.0563 1.1662 1.1662 1.1662 1.1662 3.6988 3.6988 3.6988 3.6988 9.1366 9.1366 9.1366 9.1366 11.2641 11.2641 11.2641 11.2641 k = 0.5000 0.5000 0.3673 ( 4040 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5723 -8.5723 -8.5723 -8.5723 -0.4524 -0.4524 -0.4524 -0.4524 1.0445 1.0445 1.0445 1.0445 1.1597 1.1597 1.1597 1.1597 3.7059 3.7059 3.7059 3.7059 9.1531 9.1531 9.1531 9.1531 11.2841 11.2841 11.2841 11.2841 k = 0.5000 0.5000 0.3795 ( 4048 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5721 -8.5721 -8.5721 -8.5721 -0.4481 -0.4481 -0.4481 -0.4481 1.0374 1.0374 1.0374 1.0374 1.1557 1.1557 1.1557 1.1557 3.7102 3.7102 3.7102 3.7102 9.1630 9.1630 9.1630 9.1630 11.2963 11.2963 11.2963 11.2963 k = 0.5000 0.5000 0.3918 ( 4048 PWs) bands (ev): -69.8263 -69.8263 -69.8263 -69.8263 -36.7798 -36.7798 -36.7798 -36.7798 -36.5224 -36.5224 -36.5224 -36.5224 -36.4279 -36.4279 -36.4279 -36.4279 -8.5720 -8.5720 -8.5720 -8.5720 -0.4466 -0.4466 -0.4466 -0.4466 1.0350 1.0350 1.0350 1.0350 1.1544 1.1544 1.1544 1.1544 3.7116 3.7116 3.7116 3.7116 9.1663 9.1663 9.1663 9.1663 11.3005 11.3005 11.3005 11.3005 Writing output data file MgC2.save init_run : 0.13s CPU 0.60s WALL ( 1 calls) electrons : 102.80s CPU 106.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 102.80s CPU 106.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 379 calls) cegterg : 93.77s CPU 95.32s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 56.60s CPU 57.89s WALL ( 5896 calls) s_psi : 1.48s CPU 1.42s WALL ( 5896 calls) g_psi : 0.17s CPU 0.18s WALL ( 5137 calls) cdiaghg : 32.55s CPU 32.86s WALL ( 5516 calls) cegterg:over : 3.84s CPU 4.02s WALL ( 5137 calls) cegterg:upda : 3.20s CPU 3.13s WALL ( 5137 calls) cegterg:last : 1.89s CPU 1.98s WALL ( 1150 calls) cdiaghg:chol : 1.91s CPU 1.83s WALL ( 5516 calls) cdiaghg:inve : 1.04s CPU 1.08s WALL ( 5516 calls) cdiaghg:para : 1.94s CPU 1.92s WALL ( 11032 calls) Called by h_psi: h_psi:vloc : 52.38s CPU 53.47s WALL ( 5896 calls) h_psi:vnl : 4.08s CPU 4.27s WALL ( 5896 calls) add_vuspsi : 1.66s CPU 1.71s WALL ( 5896 calls) General routines calbec : 2.38s CPU 2.55s WALL ( 5896 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.12s CPU 50.16s WALL ( 659520 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.20s WALL ( 758 calls) Parallel routines fft_scatter : 18.30s CPU 18.97s WALL ( 659543 calls) PWSCF : 1m57.62s CPU 2m33.54s WALL This run was terminated on: 16:21:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=