Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:41:50 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H4CN2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 82 47 13 2808 1213 191 Max 83 48 14 2811 1235 194 Sum 2965 1701 497 101135 44051 6941 bravais-lattice index = 14 lattice parameter (alat) = 10.6675 a.u. unit-cell volume = 1011.5602 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.667503 celldm(2)= 1.000000 celldm(3)= 0.833304 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 0.833304 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.200043 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops. (no inversion) found ( 4 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 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] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0033003 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0033003 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0033003 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0033003 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0033003 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0033003 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0033003 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0033003 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0033003 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0033003 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0033003 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0033003 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0033003 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0033003 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0033003 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0033003 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033003 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0033003 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0033003 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0033003 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033003 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033003 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0033003 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0033003 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0033003 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033003 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0033003 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0033003 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.0176477), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.0352954), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.0529431), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.0705907), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0882384), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.1058861), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.1235338), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.1411815), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.1588292), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.1764768), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.1941245), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.2117722), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.2294199), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.2470676), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.2647153), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.2823629), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.3000106), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.3176583), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.3353060), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.3529537), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.3706014), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.3882490), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.4058967), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.4235444), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.4411921), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.4588398), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.4764875), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.4941352), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.5117828), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.5294305), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.5470782), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.5647259), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.5823736), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.6000213), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.6000213), wk = 0.0033003 k( 136) = ( 0.0000000 0.0178571 0.6000213), wk = 0.0033003 k( 137) = ( 0.0000000 0.0357143 0.6000213), wk = 0.0033003 k( 138) = ( 0.0000000 0.0535714 0.6000213), wk = 0.0033003 k( 139) = ( 0.0000000 0.0714286 0.6000213), wk = 0.0033003 k( 140) = ( 0.0000000 0.0892857 0.6000213), wk = 0.0033003 k( 141) = ( 0.0000000 0.1071429 0.6000213), wk = 0.0033003 k( 142) = ( 0.0000000 0.1250000 0.6000213), wk = 0.0033003 k( 143) = ( 0.0000000 0.1428571 0.6000213), wk = 0.0033003 k( 144) = ( 0.0000000 0.1607143 0.6000213), wk = 0.0033003 k( 145) = ( 0.0000000 0.1785714 0.6000213), wk = 0.0033003 k( 146) = ( 0.0000000 0.1964286 0.6000213), wk = 0.0033003 k( 147) = ( 0.0000000 0.2142857 0.6000213), wk = 0.0033003 k( 148) = ( 0.0000000 0.2321429 0.6000213), wk = 0.0033003 k( 149) = ( 0.0000000 0.2500000 0.6000213), wk = 0.0033003 k( 150) = ( 0.0000000 0.2678571 0.6000213), wk = 0.0033003 k( 151) = ( 0.0000000 0.2857143 0.6000213), wk = 0.0033003 k( 152) = ( 0.0000000 0.3035714 0.6000213), wk = 0.0033003 k( 153) = ( 0.0000000 0.3214286 0.6000213), wk = 0.0033003 k( 154) = ( 0.0000000 0.3392857 0.6000213), wk = 0.0033003 k( 155) = ( 0.0000000 0.3571429 0.6000213), wk = 0.0033003 k( 156) = ( 0.0000000 0.3750000 0.6000213), wk = 0.0033003 k( 157) = ( 0.0000000 0.3928571 0.6000213), wk = 0.0033003 k( 158) = ( 0.0000000 0.4107143 0.6000213), wk = 0.0033003 k( 159) = ( 0.0000000 0.4285714 0.6000213), wk = 0.0033003 k( 160) = ( 0.0000000 0.4464286 0.6000213), wk = 0.0033003 k( 161) = ( 0.0000000 0.4642857 0.6000213), wk = 0.0033003 k( 162) = ( 0.0000000 0.4821429 0.6000213), wk = 0.0033003 k( 163) = ( 0.0000000 0.5000000 0.6000213), wk = 0.0033003 k( 164) = ( 0.0000000 0.5000000 0.6000213), wk = 0.0033003 k( 165) = ( 0.0178571 0.5000000 0.6000213), wk = 0.0033003 k( 166) = ( 0.0357143 0.5000000 0.6000213), wk = 0.0033003 k( 167) = ( 0.0535714 0.5000000 0.6000213), wk = 0.0033003 k( 168) = ( 0.0714286 0.5000000 0.6000213), wk = 0.0033003 k( 169) = ( 0.0892857 0.5000000 0.6000213), wk = 0.0033003 k( 170) = ( 0.1071429 0.5000000 0.6000213), wk = 0.0033003 k( 171) = ( 0.1250000 0.5000000 0.6000213), wk = 0.0033003 k( 172) = ( 0.1428571 0.5000000 0.6000213), wk = 0.0033003 k( 173) = ( 0.1607143 0.5000000 0.6000213), wk = 0.0033003 k( 174) = ( 0.1785714 0.5000000 0.6000213), wk = 0.0033003 k( 175) = ( 0.1964286 0.5000000 0.6000213), wk = 0.0033003 k( 176) = ( 0.2142857 0.5000000 0.6000213), wk = 0.0033003 k( 177) = ( 0.2321429 0.5000000 0.6000213), wk = 0.0033003 k( 178) = ( 0.2500000 0.5000000 0.6000213), wk = 0.0033003 k( 179) = ( 0.2678571 0.5000000 0.6000213), wk = 0.0033003 k( 180) = ( 0.2857143 0.5000000 0.6000213), wk = 0.0033003 k( 181) = ( 0.3035714 0.5000000 0.6000213), wk = 0.0033003 k( 182) = ( 0.3214286 0.5000000 0.6000213), wk = 0.0033003 k( 183) = ( 0.3392857 0.5000000 0.6000213), wk = 0.0033003 k( 184) = ( 0.3571429 0.5000000 0.6000213), wk = 0.0033003 k( 185) = ( 0.3750000 0.5000000 0.6000213), wk = 0.0033003 k( 186) = ( 0.3928571 0.5000000 0.6000213), wk = 0.0033003 k( 187) = ( 0.4107143 0.5000000 0.6000213), wk = 0.0033003 k( 188) = ( 0.4285714 0.5000000 0.6000213), wk = 0.0033003 k( 189) = ( 0.4464286 0.5000000 0.6000213), wk = 0.0033003 k( 190) = ( 0.4642857 0.5000000 0.6000213), wk = 0.0033003 k( 191) = ( 0.4821429 0.5000000 0.6000213), wk = 0.0033003 k( 192) = ( 0.5000000 0.5000000 0.6000213), wk = 0.0033003 k( 193) = ( 0.5000000 0.5000000 0.6000213), wk = 0.0033003 k( 194) = ( 0.4875000 0.4875000 0.6000213), wk = 0.0033003 k( 195) = ( 0.4750000 0.4750000 0.6000213), wk = 0.0033003 k( 196) = ( 0.4625000 0.4625000 0.6000213), wk = 0.0033003 k( 197) = ( 0.4500000 0.4500000 0.6000213), wk = 0.0033003 k( 198) = ( 0.4375000 0.4375000 0.6000213), wk = 0.0033003 k( 199) = ( 0.4250000 0.4250000 0.6000213), wk = 0.0033003 k( 200) = ( 0.4125000 0.4125000 0.6000213), wk = 0.0033003 k( 201) = ( 0.4000000 0.4000000 0.6000213), wk = 0.0033003 k( 202) = ( 0.3875000 0.3875000 0.6000213), wk = 0.0033003 k( 203) = ( 0.3750000 0.3750000 0.6000213), wk = 0.0033003 k( 204) = ( 0.3625000 0.3625000 0.6000213), wk = 0.0033003 k( 205) = ( 0.3500000 0.3500000 0.6000213), wk = 0.0033003 k( 206) = ( 0.3375000 0.3375000 0.6000213), wk = 0.0033003 k( 207) = ( 0.3250000 0.3250000 0.6000213), wk = 0.0033003 k( 208) = ( 0.3125000 0.3125000 0.6000213), wk = 0.0033003 k( 209) = ( 0.3000000 0.3000000 0.6000213), wk = 0.0033003 k( 210) = ( 0.2875000 0.2875000 0.6000213), wk = 0.0033003 k( 211) = ( 0.2750000 0.2750000 0.6000213), wk = 0.0033003 k( 212) = ( 0.2625000 0.2625000 0.6000213), wk = 0.0033003 k( 213) = ( 0.2500000 0.2500000 0.6000213), wk = 0.0033003 k( 214) = ( 0.2375000 0.2375000 0.6000213), wk = 0.0033003 k( 215) = ( 0.2250000 0.2250000 0.6000213), wk = 0.0033003 k( 216) = ( 0.2125000 0.2125000 0.6000213), wk = 0.0033003 k( 217) = ( 0.2000000 0.2000000 0.6000213), wk = 0.0033003 k( 218) = ( 0.1875000 0.1875000 0.6000213), wk = 0.0033003 k( 219) = ( 0.1750000 0.1750000 0.6000213), wk = 0.0033003 k( 220) = ( 0.1625000 0.1625000 0.6000213), wk = 0.0033003 k( 221) = ( 0.1500000 0.1500000 0.6000213), wk = 0.0033003 k( 222) = ( 0.1375000 0.1375000 0.6000213), wk = 0.0033003 k( 223) = ( 0.1250000 0.1250000 0.6000213), wk = 0.0033003 k( 224) = ( 0.1125000 0.1125000 0.6000213), wk = 0.0033003 k( 225) = ( 0.1000000 0.1000000 0.6000213), wk = 0.0033003 k( 226) = ( 0.0875000 0.0875000 0.6000213), wk = 0.0033003 k( 227) = ( 0.0750000 0.0750000 0.6000213), wk = 0.0033003 k( 228) = ( 0.0625000 0.0625000 0.6000213), wk = 0.0033003 k( 229) = ( 0.0500000 0.0500000 0.6000213), wk = 0.0033003 k( 230) = ( 0.0375000 0.0375000 0.6000213), wk = 0.0033003 k( 231) = ( 0.0250000 0.0250000 0.6000213), wk = 0.0033003 k( 232) = ( 0.0125000 0.0125000 0.6000213), wk = 0.0033003 k( 233) = ( 0.0000000 0.0000000 0.6000213), wk = 0.0033003 k( 234) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 235) = ( 0.0000000 0.5000000 0.0176477), wk = 0.0033003 k( 236) = ( 0.0000000 0.5000000 0.0352954), wk = 0.0033003 k( 237) = ( 0.0000000 0.5000000 0.0529431), wk = 0.0033003 k( 238) = ( 0.0000000 0.5000000 0.0705907), wk = 0.0033003 k( 239) = ( 0.0000000 0.5000000 0.0882384), wk = 0.0033003 k( 240) = ( 0.0000000 0.5000000 0.1058861), wk = 0.0033003 k( 241) = ( 0.0000000 0.5000000 0.1235338), wk = 0.0033003 k( 242) = ( 0.0000000 0.5000000 0.1411815), wk = 0.0033003 k( 243) = ( 0.0000000 0.5000000 0.1588292), wk = 0.0033003 k( 244) = ( 0.0000000 0.5000000 0.1764768), wk = 0.0033003 k( 245) = ( 0.0000000 0.5000000 0.1941245), wk = 0.0033003 k( 246) = ( 0.0000000 0.5000000 0.2117722), wk = 0.0033003 k( 247) = ( 0.0000000 0.5000000 0.2294199), wk = 0.0033003 k( 248) = ( 0.0000000 0.5000000 0.2470676), wk = 0.0033003 k( 249) = ( 0.0000000 0.5000000 0.2647153), wk = 0.0033003 k( 250) = ( 0.0000000 0.5000000 0.2823629), wk = 0.0033003 k( 251) = ( 0.0000000 0.5000000 0.3000106), wk = 0.0033003 k( 252) = ( 0.0000000 0.5000000 0.3176583), wk = 0.0033003 k( 253) = ( 0.0000000 0.5000000 0.3353060), wk = 0.0033003 k( 254) = ( 0.0000000 0.5000000 0.3529537), wk = 0.0033003 k( 255) = ( 0.0000000 0.5000000 0.3706014), wk = 0.0033003 k( 256) = ( 0.0000000 0.5000000 0.3882490), wk = 0.0033003 k( 257) = ( 0.0000000 0.5000000 0.4058967), wk = 0.0033003 k( 258) = ( 0.0000000 0.5000000 0.4235444), wk = 0.0033003 k( 259) = ( 0.0000000 0.5000000 0.4411921), wk = 0.0033003 k( 260) = ( 0.0000000 0.5000000 0.4588398), wk = 0.0033003 k( 261) = ( 0.0000000 0.5000000 0.4764875), wk = 0.0033003 k( 262) = ( 0.0000000 0.5000000 0.4941352), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 0.5117828), wk = 0.0033003 k( 264) = ( 0.0000000 0.5000000 0.5294305), wk = 0.0033003 k( 265) = ( 0.0000000 0.5000000 0.5470782), wk = 0.0033003 k( 266) = ( 0.0000000 0.5000000 0.5647259), wk = 0.0033003 k( 267) = ( 0.0000000 0.5000000 0.5823736), wk = 0.0033003 k( 268) = ( 0.0000000 0.5000000 0.6000213), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0176477), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0352954), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.0529431), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.0705907), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.0882384), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.1058861), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1235338), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1411815), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1588292), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1764768), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.1941245), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.2117722), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.2294199), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2470676), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2647153), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2823629), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.3000106), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.3176583), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.3353060), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.3529537), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3706014), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3882490), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.4058967), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.4235444), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.4411921), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.4588398), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.4764875), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4941352), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.5117828), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.5294305), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.5470782), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.5647259), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.5823736), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.6000213), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0033003 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0033003 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0033003 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0033003 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0033003 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0033003 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0033003 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033003 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0033003 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0033003 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0033003 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0033003 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0033003 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0033003 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0033003 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0033003 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0033003 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0033003 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0033003 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0033003 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0033003 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0033003 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0033003 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0033003 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0033003 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0033003 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0033003 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0033003 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0033003 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0033003 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0033003 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033003 k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033003 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0033003 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0033003 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033003 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0033003 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0033003 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033003 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0033003 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0033003 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0033003 k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0033003 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0033003 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033003 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033003 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0033003 k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0033003 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033003 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0033003 k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0033003 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0033003 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0033003 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 101) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0033003 k( 102) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0033003 k( 103) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0033003 k( 104) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 136) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0033003 k( 139) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0033003 k( 140) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0033003 k( 141) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0033003 k( 142) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0033003 k( 144) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0033003 k( 145) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0033003 k( 146) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0033003 k( 147) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0033003 k( 148) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0033003 k( 149) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033003 k( 150) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0033003 k( 151) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0033003 k( 152) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0033003 k( 153) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0033003 k( 154) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0033003 k( 155) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0033003 k( 156) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0033003 k( 157) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0033003 k( 158) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0033003 k( 159) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0033003 k( 160) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0033003 k( 161) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0033003 k( 162) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0033003 k( 163) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0033003 k( 186) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0033003 k( 187) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0033003 k( 188) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0033003 k( 189) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0033003 k( 190) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0033003 k( 191) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0033003 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 194) = ( 0.4875000 0.4875000 0.5000000), wk = 0.0033003 k( 195) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0033003 k( 196) = ( 0.4625000 0.4625000 0.5000000), wk = 0.0033003 k( 197) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0033003 k( 198) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0033003 k( 199) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0033003 k( 200) = ( 0.4125000 0.4125000 0.5000000), wk = 0.0033003 k( 201) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0033003 k( 202) = ( 0.3875000 0.3875000 0.5000000), wk = 0.0033003 k( 203) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0033003 k( 204) = ( 0.3625000 0.3625000 0.5000000), wk = 0.0033003 k( 205) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0033003 k( 206) = ( 0.3375000 0.3375000 0.5000000), wk = 0.0033003 k( 207) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0033003 k( 208) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033003 k( 209) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033003 k( 210) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0033003 k( 211) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0033003 k( 212) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0033003 k( 213) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 214) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0033003 k( 215) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0033003 k( 216) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0033003 k( 217) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033003 k( 218) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033003 k( 219) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0033003 k( 220) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0033003 k( 221) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0033003 k( 222) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0033003 k( 223) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033003 k( 224) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0033003 k( 225) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033003 k( 226) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0033003 k( 227) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0033003 k( 228) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033003 k( 229) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0033003 k( 230) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0033003 k( 231) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0033003 k( 232) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0033003 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 234) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 235) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0033003 k( 236) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0033003 k( 237) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0033003 k( 238) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0033003 k( 239) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0033003 k( 240) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0033003 k( 241) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0033003 k( 242) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0033003 k( 243) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0033003 k( 244) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0033003 k( 245) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0033003 k( 246) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0033003 k( 247) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0033003 k( 248) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0033003 k( 249) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0033003 k( 250) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0033003 k( 251) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033003 k( 252) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0033003 k( 253) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0033003 k( 254) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0033003 k( 255) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0033003 k( 256) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0033003 k( 257) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0033003 k( 258) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0033003 k( 259) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0033003 k( 260) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0033003 k( 261) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0033003 k( 262) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0033003 k( 264) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0033003 k( 265) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0033003 k( 266) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0033003 k( 267) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0033003 k( 268) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.4558824), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 Dense grid: 101135 G-vectors FFT dimensions: ( 64, 64, 54) Smooth grid: 44051 G-vectors FFT dimensions: ( 48, 48, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 316, 58) NL pseudopotentials 0.31 Mb ( 158, 128) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2810) G-vector shells 0.01 Mb ( 1375) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 316, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.23 Mb ( 128, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./H4CN2O.save/charge-density.dat Starting wfc are 80 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 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.2 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.6 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.0 secs Computing kpt #: 13 total cpu time spent up to now is 11.7 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.8 secs Computing kpt #: 17 total cpu time spent up to now is 14.5 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 16.0 secs Computing kpt #: 20 total cpu time spent up to now is 16.7 secs Computing kpt #: 21 total cpu time spent up to now is 17.4 secs Computing kpt #: 22 total cpu time spent up to now is 18.2 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.7 secs Computing kpt #: 25 total cpu time spent up to now is 20.5 secs Computing kpt #: 26 total cpu time spent up to now is 21.3 secs Computing kpt #: 27 total cpu time spent up to now is 22.1 secs Computing kpt #: 28 total cpu time spent up to now is 22.9 secs Computing kpt #: 29 total cpu time spent up to now is 23.8 secs Computing kpt #: 30 total cpu time spent up to now is 24.6 secs Computing kpt #: 31 total cpu time spent up to now is 25.4 secs Computing kpt #: 32 total cpu time spent up to now is 26.2 secs Computing kpt #: 33 total cpu time spent up to now is 27.1 secs Computing kpt #: 34 total cpu time spent up to now is 27.9 secs Computing kpt #: 35 total cpu time spent up to now is 28.7 secs Computing kpt #: 36 total cpu time spent up to now is 29.5 secs Computing kpt #: 37 total cpu time spent up to now is 30.3 secs Computing kpt #: 38 total cpu time spent up to now is 31.1 secs Computing kpt #: 39 total cpu time spent up to now is 32.0 secs Computing kpt #: 40 total cpu time spent up to now is 32.9 secs Computing kpt #: 41 total cpu time spent up to now is 33.8 secs Computing kpt #: 42 total cpu time spent up to now is 34.7 secs Computing kpt #: 43 total cpu time spent up to now is 35.6 secs Computing kpt #: 44 total cpu time spent up to now is 36.5 secs Computing kpt #: 45 total cpu time spent up to now is 37.4 secs Computing kpt #: 46 total cpu time spent up to now is 38.3 secs Computing kpt #: 47 total cpu time spent up to now is 39.1 secs Computing kpt #: 48 total cpu time spent up to now is 39.9 secs Computing kpt #: 49 total cpu time spent up to now is 40.8 secs Computing kpt #: 50 total cpu time spent up to now is 41.7 secs Computing kpt #: 51 total cpu time spent up to now is 42.5 secs Computing kpt #: 52 total cpu time spent up to now is 43.4 secs Computing kpt #: 53 total cpu time spent up to now is 44.2 secs Computing kpt #: 54 total cpu time spent up to now is 45.1 secs Computing kpt #: 55 total cpu time spent up to now is 45.9 secs Computing kpt #: 56 total cpu time spent up to now is 46.7 secs Computing kpt #: 57 total cpu time spent up to now is 47.4 secs Computing kpt #: 58 total cpu time spent up to now is 48.0 secs Computing kpt #: 59 total cpu time spent up to now is 48.6 secs Computing kpt #: 60 total cpu time spent up to now is 49.4 secs Computing kpt #: 61 total cpu time spent up to now is 50.2 secs Computing kpt #: 62 total cpu time spent up to now is 50.9 secs Computing kpt #: 63 total cpu time spent up to now is 51.7 secs Computing kpt #: 64 total cpu time spent up to now is 52.5 secs Computing kpt #: 65 total cpu time spent up to now is 53.3 secs Computing kpt #: 66 total cpu time spent up to now is 54.1 secs Computing kpt #: 67 total cpu time spent up to now is 54.9 secs Computing kpt #: 68 total cpu time spent up to now is 55.6 secs Computing kpt #: 69 total cpu time spent up to now is 56.3 secs Computing kpt #: 70 total cpu time spent up to now is 57.1 secs Computing kpt #: 71 total cpu time spent up to now is 57.8 secs Computing kpt #: 72 total cpu time spent up to now is 58.5 secs Computing kpt #: 73 total cpu time spent up to now is 59.2 secs Computing kpt #: 74 total cpu time spent up to now is 60.0 secs Computing kpt #: 75 total cpu time spent up to now is 60.6 secs Computing kpt #: 76 total cpu time spent up to now is 61.4 secs Computing kpt #: 77 total cpu time spent up to now is 62.0 secs Computing kpt #: 78 total cpu time spent up to now is 62.8 secs Computing kpt #: 79 total cpu time spent up to now is 63.4 secs Computing kpt #: 80 total cpu time spent up to now is 64.2 secs Computing kpt #: 81 total cpu time spent up to now is 64.9 secs Computing kpt #: 82 total cpu time spent up to now is 65.7 secs Computing kpt #: 83 total cpu time spent up to now is 66.5 secs Computing kpt #: 84 total cpu time spent up to now is 67.3 secs Computing kpt #: 85 total cpu time spent up to now is 68.1 secs Computing kpt #: 86 total cpu time spent up to now is 68.9 secs Computing kpt #: 87 total cpu time spent up to now is 69.7 secs Computing kpt #: 88 total cpu time spent up to now is 70.5 secs Computing kpt #: 89 total cpu time spent up to now is 71.3 secs Computing kpt #: 90 total cpu time spent up to now is 72.1 secs Computing kpt #: 91 total cpu time spent up to now is 72.9 secs Computing kpt #: 92 total cpu time spent up to now is 73.7 secs Computing kpt #: 93 total cpu time spent up to now is 74.5 secs Computing kpt #: 94 total cpu time spent up to now is 75.3 secs Computing kpt #: 95 total cpu time spent up to now is 76.1 secs Computing kpt #: 96 total cpu time spent up to now is 76.9 secs Computing kpt #: 97 total cpu time spent up to now is 77.8 secs Computing kpt #: 98 total cpu time spent up to now is 78.6 secs Computing kpt #: 99 total cpu time spent up to now is 79.7 secs Computing kpt #: 100 total cpu time spent up to now is 80.6 secs Computing kpt #: 101 total cpu time spent up to now is 81.6 secs Computing kpt #: 102 total cpu time spent up to now is 82.6 secs Computing kpt #: 103 total cpu time spent up to now is 83.6 secs Computing kpt #: 104 total cpu time spent up to now is 84.5 secs Computing kpt #: 105 total cpu time spent up to now is 85.4 secs Computing kpt #: 106 total cpu time spent up to now is 86.4 secs Computing kpt #: 107 total cpu time spent up to now is 87.4 secs Computing kpt #: 108 total cpu time spent up to now is 88.6 secs Computing kpt #: 109 total cpu time spent up to now is 90.0 secs Computing kpt #: 110 total cpu time spent up to now is 91.3 secs Computing kpt #: 111 total cpu time spent up to now is 92.7 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.6 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.6 secs Computing kpt #: 114 total cpu time spent up to now is 97.7 secs Computing kpt #: 115 total cpu time spent up to now is 98.8 secs Computing kpt #: 116 total cpu time spent up to now is 99.9 secs Computing kpt #: 117 total cpu time spent up to now is 101.0 secs Computing kpt #: 118 total cpu time spent up to now is 102.1 secs Computing kpt #: 119 total cpu time spent up to now is 103.1 secs Computing kpt #: 120 total cpu time spent up to now is 104.1 secs Computing kpt #: 121 total cpu time spent up to now is 105.2 secs Computing kpt #: 122 total cpu time spent up to now is 106.3 secs Computing kpt #: 123 total cpu time spent up to now is 107.3 secs Computing kpt #: 124 total cpu time spent up to now is 108.3 secs Computing kpt #: 125 total cpu time spent up to now is 109.3 secs Computing kpt #: 126 total cpu time spent up to now is 110.2 secs Computing kpt #: 127 total cpu time spent up to now is 111.2 secs Computing kpt #: 128 total cpu time spent up to now is 112.2 secs Computing kpt #: 129 total cpu time spent up to now is 113.2 secs Computing kpt #: 130 total cpu time spent up to now is 114.1 secs Computing kpt #: 131 total cpu time spent up to now is 115.0 secs Computing kpt #: 132 total cpu time spent up to now is 116.0 secs Computing kpt #: 133 total cpu time spent up to now is 116.9 secs Computing kpt #: 134 total cpu time spent up to now is 117.8 secs Computing kpt #: 135 total cpu time spent up to now is 118.8 secs Computing kpt #: 136 total cpu time spent up to now is 119.6 secs Computing kpt #: 137 total cpu time spent up to now is 120.5 secs Computing kpt #: 138 total cpu time spent up to now is 121.4 secs Computing kpt #: 139 total cpu time spent up to now is 122.2 secs Computing kpt #: 140 total cpu time spent up to now is 123.1 secs Computing kpt #: 141 total cpu time spent up to now is 124.0 secs Computing kpt #: 142 total cpu time spent up to now is 124.8 secs Computing kpt #: 143 total cpu time spent up to now is 125.7 secs Computing kpt #: 144 total cpu time spent up to now is 126.5 secs Computing kpt #: 145 total cpu time spent up to now is 127.4 secs Computing kpt #: 146 total cpu time spent up to now is 128.3 secs Computing kpt #: 147 total cpu time spent up to now is 129.2 secs Computing kpt #: 148 total cpu time spent up to now is 130.1 secs Computing kpt #: 149 total cpu time spent up to now is 131.0 secs Computing kpt #: 150 total cpu time spent up to now is 131.9 secs Computing kpt #: 151 total cpu time spent up to now is 132.8 secs Computing kpt #: 152 total cpu time spent up to now is 133.6 secs Computing kpt #: 153 total cpu time spent up to now is 134.6 secs Computing kpt #: 154 total cpu time spent up to now is 135.4 secs Computing kpt #: 155 total cpu time spent up to now is 136.3 secs Computing kpt #: 156 total cpu time spent up to now is 137.2 secs Computing kpt #: 157 total cpu time spent up to now is 138.1 secs Computing kpt #: 158 total cpu time spent up to now is 139.0 secs Computing kpt #: 159 total cpu time spent up to now is 139.8 secs Computing kpt #: 160 total cpu time spent up to now is 140.6 secs Computing kpt #: 161 total cpu time spent up to now is 141.5 secs Computing kpt #: 162 total cpu time spent up to now is 142.4 secs Computing kpt #: 163 total cpu time spent up to now is 143.2 secs Computing kpt #: 164 total cpu time spent up to now is 144.1 secs Computing kpt #: 165 total cpu time spent up to now is 145.1 secs Computing kpt #: 166 total cpu time spent up to now is 146.2 secs Computing kpt #: 167 total cpu time spent up to now is 147.3 secs Computing kpt #: 168 total cpu time spent up to now is 148.1 secs Computing kpt #: 169 total cpu time spent up to now is 149.0 secs Computing kpt #: 170 total cpu time spent up to now is 150.0 secs Computing kpt #: 171 total cpu time spent up to now is 150.8 secs Computing kpt #: 172 total cpu time spent up to now is 151.8 secs Computing kpt #: 173 total cpu time spent up to now is 152.7 secs Computing kpt #: 174 total cpu time spent up to now is 153.5 secs Computing kpt #: 175 total cpu time spent up to now is 154.4 secs Computing kpt #: 176 total cpu time spent up to now is 155.3 secs Computing kpt #: 177 total cpu time spent up to now is 156.2 secs Computing kpt #: 178 total cpu time spent up to now is 157.1 secs Computing kpt #: 179 total cpu time spent up to now is 158.0 secs Computing kpt #: 180 total cpu time spent up to now is 158.9 secs Computing kpt #: 181 total cpu time spent up to now is 159.8 secs Computing kpt #: 182 total cpu time spent up to now is 160.7 secs Computing kpt #: 183 total cpu time spent up to now is 161.7 secs Computing kpt #: 184 total cpu time spent up to now is 162.6 secs Computing kpt #: 185 total cpu time spent up to now is 163.4 secs Computing kpt #: 186 total cpu time spent up to now is 164.4 secs Computing kpt #: 187 total cpu time spent up to now is 165.4 secs Computing kpt #: 188 total cpu time spent up to now is 166.3 secs Computing kpt #: 189 total cpu time spent up to now is 167.3 secs Computing kpt #: 190 total cpu time spent up to now is 168.2 secs Computing kpt #: 191 total cpu time spent up to now is 169.1 secs Computing kpt #: 192 total cpu time spent up to now is 169.9 secs Computing kpt #: 193 total cpu time spent up to now is 170.8 secs Computing kpt #: 194 total cpu time spent up to now is 171.7 secs Computing kpt #: 195 total cpu time spent up to now is 172.5 secs Computing kpt #: 196 total cpu time spent up to now is 173.4 secs Computing kpt #: 197 total cpu time spent up to now is 174.2 secs Computing kpt #: 198 total cpu time spent up to now is 175.1 secs Computing kpt #: 199 total cpu time spent up to now is 176.0 secs Computing kpt #: 200 total cpu time spent up to now is 176.8 secs Computing kpt #: 201 total cpu time spent up to now is 177.7 secs Computing kpt #: 202 total cpu time spent up to now is 178.5 secs Computing kpt #: 203 total cpu time spent up to now is 179.4 secs Computing kpt #: 204 total cpu time spent up to now is 180.2 secs Computing kpt #: 205 total cpu time spent up to now is 181.1 secs Computing kpt #: 206 total cpu time spent up to now is 182.0 secs Computing kpt #: 207 total cpu time spent up to now is 182.9 secs Computing kpt #: 208 total cpu time spent up to now is 183.8 secs Computing kpt #: 209 total cpu time spent up to now is 184.6 secs Computing kpt #: 210 total cpu time spent up to now is 185.5 secs Computing kpt #: 211 total cpu time spent up to now is 186.4 secs Computing kpt #: 212 total cpu time spent up to now is 187.2 secs Computing kpt #: 213 total cpu time spent up to now is 188.1 secs Computing kpt #: 214 total cpu time spent up to now is 189.0 secs Computing kpt #: 215 total cpu time spent up to now is 189.9 secs Computing kpt #: 216 total cpu time spent up to now is 190.8 secs Computing kpt #: 217 total cpu time spent up to now is 191.7 secs Computing kpt #: 218 total cpu time spent up to now is 192.6 secs Computing kpt #: 219 total cpu time spent up to now is 193.5 secs Computing kpt #: 220 total cpu time spent up to now is 194.4 secs Computing kpt #: 221 total cpu time spent up to now is 195.2 secs Computing kpt #: 222 total cpu time spent up to now is 196.1 secs Computing kpt #: 223 total cpu time spent up to now is 197.0 secs Computing kpt #: 224 total cpu time spent up to now is 197.9 secs Computing kpt #: 225 total cpu time spent up to now is 198.8 secs Computing kpt #: 226 total cpu time spent up to now is 199.6 secs Computing kpt #: 227 total cpu time spent up to now is 200.5 secs Computing kpt #: 228 total cpu time spent up to now is 201.4 secs Computing kpt #: 229 total cpu time spent up to now is 202.2 secs Computing kpt #: 230 total cpu time spent up to now is 203.1 secs Computing kpt #: 231 total cpu time spent up to now is 204.0 secs Computing kpt #: 232 total cpu time spent up to now is 204.8 secs Computing kpt #: 233 total cpu time spent up to now is 205.7 secs Computing kpt #: 234 total cpu time spent up to now is 206.5 secs Computing kpt #: 235 total cpu time spent up to now is 207.3 secs Computing kpt #: 236 total cpu time spent up to now is 208.1 secs Computing kpt #: 237 total cpu time spent up to now is 209.0 secs Computing kpt #: 238 total cpu time spent up to now is 209.8 secs Computing kpt #: 239 total cpu time spent up to now is 210.6 secs Computing kpt #: 240 total cpu time spent up to now is 211.5 secs Computing kpt #: 241 total cpu time spent up to now is 212.4 secs Computing kpt #: 242 total cpu time spent up to now is 213.3 secs Computing kpt #: 243 total cpu time spent up to now is 214.4 secs Computing kpt #: 244 total cpu time spent up to now is 215.6 secs Computing kpt #: 245 total cpu time spent up to now is 217.0 secs Computing kpt #: 246 total cpu time spent up to now is 217.9 secs Computing kpt #: 247 total cpu time spent up to now is 218.8 secs Computing kpt #: 248 total cpu time spent up to now is 220.0 secs Computing kpt #: 249 total cpu time spent up to now is 221.4 secs Computing kpt #: 250 total cpu time spent up to now is 222.9 secs Computing kpt #: 251 total cpu time spent up to now is 224.1 secs Computing kpt #: 252 total cpu time spent up to now is 225.0 secs Computing kpt #: 253 total cpu time spent up to now is 226.2 secs Computing kpt #: 254 total cpu time spent up to now is 227.4 secs Computing kpt #: 255 total cpu time spent up to now is 228.6 secs Computing kpt #: 256 total cpu time spent up to now is 229.8 secs Computing kpt #: 257 total cpu time spent up to now is 230.7 secs Computing kpt #: 258 total cpu time spent up to now is 231.8 secs Computing kpt #: 259 total cpu time spent up to now is 232.8 secs Computing kpt #: 260 total cpu time spent up to now is 233.7 secs Computing kpt #: 261 total cpu time spent up to now is 234.7 secs Computing kpt #: 262 total cpu time spent up to now is 235.6 secs Computing kpt #: 263 total cpu time spent up to now is 236.6 secs Computing kpt #: 264 total cpu time spent up to now is 237.5 secs Computing kpt #: 265 total cpu time spent up to now is 238.4 secs Computing kpt #: 266 total cpu time spent up to now is 239.3 secs Computing kpt #: 267 total cpu time spent up to now is 240.2 secs Computing kpt #: 268 total cpu time spent up to now is 241.0 secs Computing kpt #: 269 total cpu time spent up to now is 241.7 secs Computing kpt #: 270 total cpu time spent up to now is 242.3 secs Computing kpt #: 271 total cpu time spent up to now is 243.0 secs Computing kpt #: 272 total cpu time spent up to now is 243.6 secs Computing kpt #: 273 total cpu time spent up to now is 244.2 secs Computing kpt #: 274 total cpu time spent up to now is 244.9 secs Computing kpt #: 275 total cpu time spent up to now is 245.5 secs Computing kpt #: 276 total cpu time spent up to now is 246.2 secs Computing kpt #: 277 total cpu time spent up to now is 246.8 secs Computing kpt #: 278 total cpu time spent up to now is 247.4 secs Computing kpt #: 279 total cpu time spent up to now is 248.1 secs Computing kpt #: 280 total cpu time spent up to now is 248.8 secs Computing kpt #: 281 total cpu time spent up to now is 249.5 secs Computing kpt #: 282 total cpu time spent up to now is 250.1 secs Computing kpt #: 283 total cpu time spent up to now is 250.8 secs Computing kpt #: 284 total cpu time spent up to now is 251.4 secs Computing kpt #: 285 total cpu time spent up to now is 252.1 secs Computing kpt #: 286 total cpu time spent up to now is 252.9 secs Computing kpt #: 287 total cpu time spent up to now is 253.6 secs Computing kpt #: 288 total cpu time spent up to now is 254.3 secs Computing kpt #: 289 total cpu time spent up to now is 255.0 secs Computing kpt #: 290 total cpu time spent up to now is 255.7 secs Computing kpt #: 291 total cpu time spent up to now is 256.5 secs Computing kpt #: 292 total cpu time spent up to now is 257.2 secs Computing kpt #: 293 total cpu time spent up to now is 258.0 secs Computing kpt #: 294 total cpu time spent up to now is 258.7 secs Computing kpt #: 295 total cpu time spent up to now is 259.5 secs Computing kpt #: 296 total cpu time spent up to now is 260.3 secs Computing kpt #: 297 total cpu time spent up to now is 261.0 secs Computing kpt #: 298 total cpu time spent up to now is 261.9 secs Computing kpt #: 299 total cpu time spent up to now is 262.7 secs Computing kpt #: 300 total cpu time spent up to now is 263.5 secs Computing kpt #: 301 total cpu time spent up to now is 264.3 secs Computing kpt #: 302 total cpu time spent up to now is 265.2 secs Computing kpt #: 303 total cpu time spent up to now is 266.0 secs ethr = 2.08E-08, avg # of iterations = 27.9 total cpu time spent up to now is 266.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5463 PWs) bands (ev): -20.6928 -20.6928 -20.5342 -20.5342 -17.1467 -17.1467 -17.1130 -17.1130 -15.9910 -15.9910 -15.9909 -15.9909 -9.8568 -9.8568 -9.3087 -9.3087 -8.3714 -8.3714 -7.6456 -7.6456 -7.6347 -7.6347 -7.6337 -7.6337 -6.0519 -6.0519 -6.0508 -6.0508 -4.6600 -4.6600 -4.6582 -4.6582 -4.1527 -4.1527 -3.7690 -3.7690 -1.0622 -1.0622 -1.0595 -1.0595 -1.0076 -1.0076 -0.6488 -0.6488 -0.6464 -0.6464 -0.0532 -0.0532 5.0976 5.0976 6.0872 6.0872 6.0880 6.0880 7.9865 7.9865 8.9717 8.9717 k = 0.0000 0.0179-0.0000 ( 5483 PWs) bands (ev): -20.6927 -20.6927 -20.5343 -20.5343 -17.1467 -17.1467 -17.1131 -17.1131 -15.9910 -15.9910 -15.9909 -15.9909 -9.8565 -9.8565 -9.3093 -9.3092 -8.3712 -8.3711 -7.6520 -7.6485 -7.6345 -7.6345 -7.6319 -7.6284 -6.0511 -6.0509 -6.0498 -6.0498 -4.6608 -4.6608 -4.6590 -4.6589 -4.1521 -4.1520 -3.7692 -3.7692 -1.0633 -1.0629 -1.0602 -1.0602 -1.0058 -1.0054 -0.6489 -0.6489 -0.6464 -0.6464 -0.0535 -0.0534 5.0993 5.0993 6.0867 6.0867 6.0878 6.0878 7.9876 7.9876 8.9642 8.9645 k = 0.0000 0.0357-0.0000 ( 5495 PWs) bands (ev): -20.6923 -20.6923 -20.5347 -20.5347 -17.1466 -17.1466 -17.1131 -17.1131 -15.9910 -15.9910 -15.9910 -15.9909 -9.8556 -9.8555 -9.3109 -9.3109 -8.3704 -8.3703 -7.6612 -7.6573 -7.6344 -7.6343 -7.6262 -7.6222 -6.0485 -6.0484 -6.0465 -6.0463 -4.6637 -4.6635 -4.6611 -4.6610 -4.1503 -4.1501 -3.7699 -3.7697 -1.0664 -1.0657 -1.0614 -1.0613 -1.0003 -0.9997 -0.6493 -0.6493 -0.6466 -0.6465 -0.0543 -0.0542 5.1044 5.1045 6.0847 6.0848 6.0876 6.0876 7.9909 7.9909 8.9416 8.9421 k = 0.0000 0.0536-0.0000 ( 5513 PWs) bands (ev): -20.6917 -20.6917 -20.5353 -20.5353 -17.1465 -17.1465 -17.1133 -17.1133 -15.9910 -15.9910 -15.9910 -15.9910 -9.8539 -9.8539 -9.3138 -9.3137 -8.3691 -8.3689 -7.6719 -7.6679 -7.6341 -7.6339 -7.6206 -7.6166 -6.0446 -6.0444 -6.0407 -6.0403 -4.6687 -4.6684 -4.6641 -4.6641 -4.1473 -4.1470 -3.7709 -3.7707 -1.0710 -1.0702 -1.0625 -1.0625 -0.9922 -0.9914 -0.6502 -0.6502 -0.6465 -0.6464 -0.0556 -0.0554 5.1129 5.1130 6.0813 6.0814 6.0875 6.0875 7.9962 7.9962 8.9041 8.9048 k = 0.0000 0.0714-0.0000 ( 5511 PWs) bands (ev): -20.6909 -20.6909 -20.5362 -20.5362 -17.1463 -17.1463 -17.1134 -17.1134 -15.9910 -15.9910 -15.9910 -15.9910 -9.8517 -9.8516 -9.3176 -9.3175 -8.3671 -8.3669 -7.6838 -7.6797 -7.6336 -7.6333 -7.6157 -7.6116 -6.0392 -6.0389 -6.0325 -6.0320 -4.6758 -4.6752 -4.6683 -4.6682 -4.1431 -4.1428 -3.7723 -3.7721 -1.0762 -1.0754 -1.0639 -1.0639 -0.9823 -0.9813 -0.6517 -0.6517 -0.6461 -0.6460 -0.0574 -0.0572 5.1247 5.1248 6.0766 6.0766 6.0876 6.0876 8.0033 8.0034 8.8535 8.8542 k = 0.0000 0.0893-0.0000 ( 5519 PWs) bands (ev): -20.6898 -20.6898 -20.5374 -20.5373 -17.1460 -17.1460 -17.1136 -17.1136 -15.9910 -15.9910 -15.9910 -15.9910 -9.8487 -9.8486 -9.3226 -9.3225 -8.3646 -8.3643 -7.6968 -7.6928 -7.6329 -7.6326 -7.6114 -7.6074 -6.0323 -6.0320 -6.0221 -6.0215 -4.6846 -4.6840 -4.6735 -4.6733 -4.1379 -4.1375 -3.7741 -3.7738 -1.0815 -1.0807 -1.0656 -1.0656 -0.9709 -0.9698 -0.6536 -0.6536 -0.6454 -0.6452 -0.0598 -0.0596 5.1397 5.1399 6.0706 6.0706 6.0877 6.0877 8.0119 8.0120 8.7930 8.7937 k = 0.0000 0.1071-0.0000 ( 5515 PWs) bands (ev): -20.6884 -20.6884 -20.5387 -20.5387 -17.1457 -17.1457 -17.1139 -17.1139 -15.9910 -15.9910 -15.9910 -15.9910 -9.8451 -9.8450 -9.3286 -9.3285 -8.3615 -8.3611 -7.7108 -7.7069 -7.6322 -7.6318 -7.6077 -7.6038 -6.0240 -6.0236 -6.0097 -6.0090 -4.6951 -4.6943 -4.6798 -4.6796 -4.1318 -4.1313 -3.7762 -3.7759 -1.0867 -1.0859 -1.0677 -1.0676 -0.9585 -0.9573 -0.6561 -0.6560 -0.6443 -0.6440 -0.0628 -0.0625 5.1579 5.1581 6.0634 6.0635 6.0881 6.0881 8.0213 8.0215 8.7262 8.7268 k = 0.0000 0.1250-0.0000 ( 5523 PWs) bands (ev): -20.6869 -20.6869 -20.5403 -20.5403 -17.1453 -17.1453 -17.1142 -17.1142 -15.9910 -15.9910 -15.9910 -15.9910 -9.8409 -9.8407 -9.3356 -9.3354 -8.3578 -8.3574 -7.7259 -7.7221 -7.6313 -7.6308 -7.6045 -7.6007 -6.0143 -6.0139 -5.9955 -5.9946 -4.7071 -4.7062 -4.6871 -4.6869 -4.1248 -4.1243 -3.7788 -3.7784 -1.0917 -1.0909 -1.0700 -1.0699 -0.9452 -0.9440 -0.6589 -0.6589 -0.6427 -0.6424 -0.0663 -0.0660 5.1792 5.1793 6.0551 6.0552 6.0889 6.0889 8.0307 8.0309 8.6562 8.6568 k = 0.0000 0.1429-0.0000 ( 5527 PWs) bands (ev): -20.6851 -20.6851 -20.5422 -20.5422 -17.1449 -17.1449 -17.1145 -17.1145 -15.9910 -15.9910 -15.9910 -15.9910 -9.8360 -9.8358 -9.3436 -9.3434 -8.3535 -8.3530 -7.7420 -7.7383 -7.6303 -7.6297 -7.6019 -7.5982 -6.0033 -6.0029 -5.9796 -5.9786 -4.7204 -4.7194 -4.6955 -4.6952 -4.1171 -4.1166 -3.7817 -3.7813 -1.0964 -1.0957 -1.0726 -1.0725 -0.9313 -0.9301 -0.6621 -0.6621 -0.6406 -0.6403 -0.0706 -0.0702 5.2033 5.2035 6.0459 6.0460 6.0902 6.0902 8.0384 8.0386 8.5863 8.5868 k = 0.0000 0.1607-0.0000 ( 5529 PWs) bands (ev): -20.6831 -20.6830 -20.5442 -20.5442 -17.1444 -17.1444 -17.1149 -17.1149 -15.9910 -15.9910 -15.9910 -15.9910 -9.8305 -9.8303 -9.3525 -9.3523 -8.3486 -8.3480 -7.7589 -7.7553 -7.6291 -7.6286 -7.5997 -7.5961 -5.9911 -5.9905 -5.9622 -5.9610 -4.7348 -4.7337 -4.7049 -4.7045 -4.1088 -4.1083 -3.7851 -3.7846 -1.1009 -1.1002 -1.0755 -1.0754 -0.9170 -0.9157 -0.6657 -0.6656 -0.6378 -0.6374 -0.0755 -0.0751 5.2301 5.2303 6.0358 6.0359 6.0922 6.0922 8.0421 8.0423 8.5201 8.5205 k = 0.0000 0.1786-0.0000 ( 5529 PWs) bands (ev): -20.6808 -20.6808 -20.5465 -20.5465 -17.1439 -17.1439 -17.1153 -17.1153 -15.9910 -15.9910 -15.9910 -15.9910 -9.8243 -9.8241 -9.3622 -9.3620 -8.3430 -8.3424 -7.7767 -7.7732 -7.6279 -7.6273 -7.5980 -7.5945 -5.9776 -5.9771 -5.9436 -5.9423 -4.7502 -4.7490 -4.7151 -4.7147 -4.1000 -4.0995 -3.7888 -3.7883 -1.1051 -1.1044 -1.0786 -1.0784 -0.9024 -0.9011 -0.6696 -0.6695 -0.6341 -0.6338 -0.0812 -0.0808 5.2594 5.2597 6.0249 6.0250 6.0951 6.0951 8.0377 8.0378 8.4621 8.4625 k = 0.0000 0.1964-0.0000 ( 5535 PWs) bands (ev): -20.6784 -20.6784 -20.5490 -20.5490 -17.1433 -17.1433 -17.1158 -17.1158 -15.9910 -15.9910 -15.9910 -15.9910 -9.8176 -9.8173 -9.3729 -9.3726 -8.3368 -8.3361 -7.7951 -7.7917 -7.6266 -7.6259 -7.5965 -7.5931 -5.9632 -5.9625 -5.9239 -5.9225 -4.7663 -4.7650 -4.7263 -4.7258 -4.0908 -4.0903 -3.7930 -3.7924 -1.1090 -1.1083 -1.0819 -1.0817 -0.8878 -0.8865 -0.6737 -0.6736 -0.6294 -0.6290 -0.0877 -0.0872 5.2910 5.2912 6.0133 6.0134 6.0992 6.0992 8.0200 8.0201 8.4182 8.4184 k = 0.0000 0.2143-0.0000 ( 5531 PWs) bands (ev): -20.6757 -20.6757 -20.5517 -20.5517 -17.1427 -17.1427 -17.1163 -17.1163 -15.9910 -15.9910 -15.9910 -15.9909 -9.8102 -9.8099 -9.3842 -9.3839 -8.3300 -8.3292 -7.8141 -7.8108 -7.6253 -7.6245 -7.5954 -7.5921 -5.9477 -5.9470 -5.9035 -5.9020 -4.7830 -4.7816 -4.7382 -4.7378 -4.0812 -4.0807 -3.7975 -3.7969 -1.1127 -1.1120 -1.0853 -1.0851 -0.8735 -0.8722 -0.6781 -0.6780 -0.6235 -0.6231 -0.0950 -0.0945 5.3245 5.3247 6.0012 6.0013 6.1048 6.1048 7.9849 7.9849 8.3927 8.3928 k = 0.0000 0.2321-0.0000 ( 5515 PWs) bands (ev): -20.6729 -20.6729 -20.5546 -20.5546 -17.1420 -17.1420 -17.1169 -17.1169 -15.9910 -15.9910 -15.9909 -15.9909 -9.8021 -9.8019 -9.3963 -9.3960 -8.3225 -8.3217 -7.8336 -7.8305 -7.6238 -7.6230 -7.5945 -7.5914 -5.9314 -5.9306 -5.8826 -5.8810 -4.8000 -4.7986 -4.7509 -4.7505 -4.0713 -4.0708 -3.8024 -3.8018 -1.1160 -1.1154 -1.0888 -1.0886 -0.8596 -0.8583 -0.6827 -0.6826 -0.6161 -0.6157 -0.1032 -0.1026 5.3595 5.3598 5.9887 5.9888 6.1122 6.1122 7.9324 7.9324 8.3858 8.3859 k = 0.0000 0.2500-0.0000 ( 5509 PWs) bands (ev): -20.6698 -20.6698 -20.5577 -20.5577 -17.1413 -17.1413 -17.1174 -17.1174 -15.9910 -15.9910 -15.9909 -15.9909 -9.7935 -9.7933 -9.4090 -9.4087 -8.3143 -8.3134 -7.8536 -7.8505 -7.6223 -7.6214 -7.5939 -7.5909 -5.9143 -5.9135 -5.8614 -5.8597 -4.8172 -4.8158 -4.7643 -4.7638 -4.0611 -4.0607 -3.8076 -3.8070 -1.1191 -1.1185 -1.0924 -1.0922 -0.8465 -0.8452 -0.6874 -0.6873 -0.6070 -0.6067 -0.1122 -0.1116 5.3957 5.3960 5.9758 5.9759 6.1218 6.1218 7.8663 7.8663 8.3939 8.3939 k = 0.0000 0.2679-0.0000 ( 5517 PWs) bands (ev): -20.6666 -20.6666 -20.5609 -20.5609 -17.1405 -17.1405 -17.1181 -17.1181 -15.9911 -15.9910 -15.9909 -15.9909 -9.7844 -9.7841 -9.4223 -9.4220 -8.3054 -8.3045 -7.8738 -7.8709 -7.6208 -7.6199 -7.5935 -7.5906 -5.8967 -5.8959 -5.8403 -5.8385 -4.8344 -4.8330 -4.7782 -4.7778 -4.0508 -4.0505 -3.8133 -3.8127 -1.1220 -1.1213 -1.0961 -1.0958 -0.8343 -0.8331 -0.6923 -0.6922 -0.5962 -0.5960 -0.1223 -0.1216 5.4326 5.4329 5.9626 5.9627 6.1341 6.1341 7.7912 7.7913 8.4125 8.4125 k = 0.0000 0.2857-0.0000 ( 5505 PWs) bands (ev): -20.6633 -20.6632 -20.5644 -20.5643 -17.1397 -17.1397 -17.1187 -17.1187 -15.9910 -15.9910 -15.9909 -15.9909 -9.7746 -9.7743 -9.4361 -9.4358 -8.2959 -8.2949 -7.8943 -7.8914 -7.6192 -7.6182 -7.5933 -7.5905 -5.8786 -5.8777 -5.8195 -5.8176 -4.8513 -4.8499 -4.7926 -4.7922 -4.0404 -4.0401 -3.8193 -3.8187 -1.1245 -1.1239 -1.0997 -1.0994 -0.8232 -0.8221 -0.6972 -0.6971 -0.5835 -0.5833 -0.1332 -0.1326 5.4696 5.4700 5.9492 5.9494 6.1496 6.1496 7.7105 7.7106 8.4382 8.4383 k = 0.0000 0.3036-0.0000 ( 5499 PWs) bands (ev): -20.6597 -20.6597 -20.5679 -20.5679 -17.1389 -17.1389 -17.1194 -17.1194 -15.9910 -15.9910 -15.9909 -15.9909 -9.7642 -9.7639 -9.4504 -9.4500 -8.2857 -8.2847 -7.9149 -7.9121 -7.6177 -7.6166 -7.5933 -7.5906 -5.8602 -5.8592 -5.7993 -5.7973 -4.8677 -4.8662 -4.8074 -4.8070 -4.0299 -4.0296 -3.8257 -3.8250 -1.1268 -1.1262 -1.1033 -1.1030 -0.8133 -0.8123 -0.7022 -0.7021 -0.5689 -0.5688 -0.1452 -0.1445 5.5063 5.5066 5.9357 5.9359 6.1689 6.1689 7.6265 7.6266 8.4689 8.4690 k = 0.0000 0.3214-0.0000 ( 5499 PWs) bands (ev): -20.6561 -20.6560 -20.5717 -20.5716 -17.1381 -17.1381 -17.1202 -17.1201 -15.9910 -15.9910 -15.9909 -15.9909 -9.7534 -9.7530 -9.4650 -9.4646 -8.2748 -8.2737 -7.9355 -7.9329 -7.6161 -7.6149 -7.5934 -7.5908 -5.8417 -5.8406 -5.7800 -5.7779 -4.8833 -4.8819 -4.8224 -4.8221 -4.0193 -4.0191 -3.8324 -3.8318 -1.1288 -1.1282 -1.1069 -1.1066 -0.8046 -0.8036 -0.7072 -0.7071 -0.5526 -0.5525 -0.1582 -0.1575 5.5419 5.5422 5.9222 5.9223 6.1924 6.1924 7.5406 7.5407 8.5032 8.5033 k = 0.0000 0.3393-0.0000 ( 5501 PWs) bands (ev): -20.6522 -20.6522 -20.5755 -20.5755 -17.1372 -17.1372 -17.1209 -17.1209 -15.9910 -15.9910 -15.9909 -15.9909 -9.7420 -9.7416 -9.4800 -9.4796 -8.2633 -8.2621 -7.9561 -7.9536 -7.6145 -7.6133 -7.5937 -7.5912 -5.8233 -5.8221 -5.7619 -5.7598 -4.8979 -4.8965 -4.8375 -4.8372 -4.0087 -4.0085 -3.8395 -3.8388 -1.1305 -1.1299 -1.1103 -1.1100 -0.7969 -0.7961 -0.7122 -0.7121 -0.5347 -0.5346 -0.1722 -0.1715 5.5759 5.5763 5.9086 5.9088 6.2207 6.2207 7.4537 7.4538 8.5402 8.5403 k = 0.0000 0.3571-0.0000 ( 5505 PWs) bands (ev): -20.6483 -20.6483 -20.5795 -20.5795 -17.1363 -17.1363 -17.1217 -17.1217 -15.9910 -15.9910 -15.9909 -15.9909 -9.7300 -9.7297 -9.4953 -9.4949 -8.2510 -8.2498 -7.9766 -7.9742 -7.6129 -7.6116 -7.5942 -7.5917 -5.8051 -5.8039 -5.7454 -5.7432 -4.9113 -4.9098 -4.8525 -4.8523 -3.9981 -3.9980 -3.8469 -3.8463 -1.1319 -1.1313 -1.1136 -1.1133 -0.7902 -0.7895 -0.7172 -0.7171 -0.5154 -0.5152 -0.1872 -0.1865 5.6079 5.6083 5.8951 5.8952 6.2542 6.2543 7.3665 7.3666 8.5790 8.5792 k = 0.0000 0.3750-0.0000 ( 5510 PWs) bands (ev): -20.6443 -20.6443 -20.5836 -20.5835 -17.1354 -17.1354 -17.1225 -17.1225 -15.9910 -15.9910 -15.9909 -15.9909 -9.7176 -9.7173 -9.5107 -9.5103 -8.2381 -8.2368 -7.9970 -7.9946 -7.6114 -7.6100 -7.5947 -7.5924 -5.7874 -5.7861 -5.7308 -5.7286 -4.9230 -4.9216 -4.8673 -4.8671 -3.9875 -3.9875 -3.8546 -3.8540 -1.1330 -1.1325 -1.1168 -1.1164 -0.7843 -0.7836 -0.7221 -0.7220 -0.4950 -0.4947 -0.2032 -0.2025 5.6376 5.6380 5.8815 5.8817 6.2932 6.2932 7.2795 7.2797 8.6194 8.6195 k = 0.0000 0.3929-0.0000 ( 5510 PWs) bands (ev): -20.6401 -20.6401 -20.5877 -20.5877 -17.1345 -17.1345 -17.1234 -17.1234 -15.9910 -15.9910 -15.9909 -15.9909 -9.7048 -9.7044 -9.5263 -9.5259 -8.2246 -8.2232 -8.0171 -8.0149 -7.6098 -7.6084 -7.5954 -7.5931 -5.7705 -5.7691 -5.7183 -5.7161 -4.9329 -4.9316 -4.8816 -4.8815 -3.9770 -3.9770 -3.8626 -3.8621 -1.1339 -1.1333 -1.1197 -1.1194 -0.7790 -0.7784 -0.7269 -0.7268 -0.4737 -0.4733 -0.2202 -0.2194 5.6648 5.6652 5.8680 5.8682 6.3377 6.3378 7.1932 7.1933 8.6606 8.6608 k = 0.0000 0.4107-0.0000 ( 5514 PWs) bands (ev): -20.6359 -20.6359 -20.5920 -20.5920 -17.1336 -17.1336 -17.1242 -17.1242 -15.9910 -15.9910 -15.9909 -15.9909 -9.6915 -9.6911 -9.5420 -9.5415 -8.2104 -8.2089 -8.0369 -8.0348 -7.6083 -7.6068 -7.5962 -7.5940 -5.7545 -5.7531 -5.7083 -5.7060 -4.9408 -4.9395 -4.8952 -4.8951 -3.9666 -3.9665 -3.8710 -3.8704 -1.1344 -1.1338 -1.1225 -1.1221 -0.7742 -0.7737 -0.7316 -0.7314 -0.4518 -0.4513 -0.2381 -0.2374 5.6895 5.6898 5.8545 5.8547 6.3878 6.3878 7.1079 7.1080 8.7025 8.7027 k = 0.0000 0.4286-0.0000 ( 5518 PWs) bands (ev): -20.6316 -20.6316 -20.5963 -20.5963 -17.1326 -17.1326 -17.1251 -17.1251 -15.9910 -15.9910 -15.9909 -15.9909 -9.6778 -9.6774 -9.5576 -9.5572 -8.1955 -8.1940 -8.0564 -8.0543 -7.6068 -7.6053 -7.5971 -7.5950 -5.7399 -5.7383 -5.7009 -5.6987 -4.9463 -4.9452 -4.9079 -4.9078 -3.9563 -3.9562 -3.8796 -3.8790 -1.1346 -1.1341 -1.1250 -1.1246 -0.7697 -0.7693 -0.7361 -0.7360 -0.4294 -0.4289 -0.2570 -0.2562 5.7118 5.7122 5.8409 5.8411 6.4430 6.4430 7.0239 7.0240 8.7446 8.7447 k = 0.0000 0.4464-0.0000 ( 5510 PWs) bands (ev): -20.6273 -20.6272 -20.6007 -20.6007 -17.1317 -17.1317 -17.1260 -17.1260 -15.9910 -15.9910 -15.9909 -15.9909 -9.6637 -9.6632 -9.5733 -9.5728 -8.1800 -8.1785 -8.0755 -8.0735 -7.6054 -7.6038 -7.5980 -7.5960 -5.7268 -5.7251 -5.6963 -5.6941 -4.9495 -4.9485 -4.9195 -4.9192 -3.9461 -3.9459 -3.8884 -3.8879 -1.1345 -1.1339 -1.1272 -1.1268 -0.7655 -0.7651 -0.7406 -0.7404 -0.4069 -0.4063 -0.2766 -0.2759 5.7321 5.7324 5.8271 5.8274 6.5031 6.5031 6.9416 6.9417 8.7865 8.7867 k = 0.0000 0.4643-0.0000 ( 5504 PWs) bands (ev): -20.6229 -20.6228 -20.6051 -20.6051 -17.1307 -17.1307 -17.1269 -17.1269 -15.9910 -15.9910 -15.9910 -15.9909 -9.6492 -9.6488 -9.5888 -9.5884 -8.1640 -8.1624 -8.0942 -8.0923 -7.6040 -7.6023 -7.5991 -7.5971 -5.7156 -5.7138 -5.6946 -5.6925 -4.9502 -4.9493 -4.9296 -4.9292 -3.9361 -3.9358 -3.8975 -3.8971 -1.1340 -1.1335 -1.1292 -1.1287 -0.7613 -0.7610 -0.7449 -0.7447 -0.3843 -0.3836 -0.2970 -0.2963 5.7506 5.7509 5.8131 5.8134 6.5676 6.5677 6.8613 6.8614 8.8280 8.8282 k = 0.0000 0.4821-0.0000 ( 5506 PWs) bands (ev): -20.6184 -20.6184 -20.6095 -20.6095 -17.1298 -17.1298 -17.1279 -17.1279 -15.9910 -15.9910 -15.9910 -15.9910 -9.6345 -9.6341 -9.6042 -9.6038 -8.1473 -8.1457 -8.1124 -8.1106 -7.6027 -7.6009 -7.6002 -7.5983 -5.7065 -5.7046 -5.6958 -5.6938 -4.9484 -4.9476 -4.9379 -4.9374 -3.9262 -3.9258 -3.9069 -3.9065 -1.1333 -1.1328 -1.1308 -1.1304 -0.7573 -0.7570 -0.7491 -0.7489 -0.3619 -0.3612 -0.3181 -0.3174 5.7676 5.7679 5.7987 5.7989 6.6361 6.6362 6.7834 6.7835 8.8686 8.8688 k = 0.0000 0.5000-0.0000 ( 5516 PWs) bands (ev): -20.6140 -20.6140 -20.6140 -20.6140 -17.1288 -17.1288 -17.1288 -17.1288 -15.9910 -15.9910 -15.9910 -15.9910 -9.6195 -9.6195 -9.6191 -9.6191 -8.1302 -8.1302 -8.1284 -8.1284 -7.6014 -7.6014 -7.5996 -7.5996 -5.6999 -5.6999 -5.6979 -5.6979 -4.9443 -4.9443 -4.9436 -4.9436 -3.9164 -3.9164 -3.9161 -3.9161 -1.1322 -1.1322 -1.1317 -1.1317 -0.7532 -0.7532 -0.7530 -0.7530 -0.3398 -0.3398 -0.3391 -0.3391 5.7836 5.7836 5.7839 5.7839 6.7082 6.7082 6.7083 6.7083 8.9083 8.9083 k = 0.0000 0.5000-0.0000 ( 5516 PWs) bands (ev): -20.6140 -20.6140 -20.6140 -20.6140 -17.1288 -17.1288 -17.1288 -17.1288 -15.9910 -15.9910 -15.9910 -15.9910 -9.6195 -9.6195 -9.6191 -9.6191 -8.1302 -8.1302 -8.1284 -8.1284 -7.6014 -7.6014 -7.5996 -7.5996 -5.6999 -5.6999 -5.6979 -5.6979 -4.9443 -4.9443 -4.9436 -4.9436 -3.9164 -3.9164 -3.9161 -3.9161 -1.1322 -1.1322 -1.1317 -1.1317 -0.7532 -0.7532 -0.7530 -0.7530 -0.3398 -0.3398 -0.3391 -0.3391 5.7836 5.7836 5.7839 5.7839 6.7082 6.7082 6.7083 6.7083 8.9083 8.9084 k = 0.0179 0.5000-0.0000 ( 5512 PWs) bands (ev): -20.6140 -20.6140 -20.6140 -20.6140 -17.1288 -17.1288 -17.1288 -17.1288 -15.9910 -15.9910 -15.9910 -15.9910 -9.6196 -9.6196 -9.6191 -9.6191 -8.1296 -8.1296 -8.1278 -8.1278 -7.6015 -7.6015 -7.5997 -7.5997 -5.7012 -5.7012 -5.6992 -5.6992 -4.9434 -4.9434 -4.9427 -4.9427 -3.9165 -3.9165 -3.9162 -3.9162 -1.1321 -1.1321 -1.1316 -1.1316 -0.7530 -0.7530 -0.7527 -0.7527 -0.3396 -0.3396 -0.3389 -0.3389 5.7831 5.7831 5.7834 5.7834 6.7092 6.7092 6.7093 6.7093 8.9053 8.9055 k = 0.0357 0.5000-0.0000 ( 5506 PWs) bands (ev): -20.6140 -20.6140 -20.6140 -20.6140 -17.1287 -17.1287 -17.1287 -17.1287 -15.9912 -15.9912 -15.9911 -15.9911 -9.6198 -9.6198 -9.6194 -9.6194 -8.1279 -8.1279 -8.1262 -8.1262 -7.6018 -7.6018 -7.6000 -7.6000 -5.7051 -5.7051 -5.7032 -5.7032 -4.9409 -4.9409 -4.9402 -4.9402 -3.9169 -3.9169 -3.9165 -3.9165 -1.1316 -1.1316 -1.1311 -1.1311 -0.7523 -0.7523 -0.7520 -0.7520 -0.3390 -0.3390 -0.3383 -0.3383 5.7816 5.7816 5.7819 5.7819 6.7122 6.7122 6.7124 6.7124 8.8966 8.8967 k = 0.0536 0.5000-0.0000 ( 5512 PWs) bands (ev): -20.6140 -20.6140 -20.6139 -20.6139 -17.1286 -17.1286 -17.1286 -17.1286 -15.9914 -15.9914 -15.9914 -15.9914 -9.6202 -9.6202 -9.6198 -9.6198 -8.1252 -8.1252 -8.1235 -8.1235 -7.6023 -7.6023 -7.6005 -7.6005 -5.7116 -5.7116 -5.7097 -5.7097 -4.9368 -4.9368 -4.9359 -4.9359 -3.9175 -3.9175 -3.9171 -3.9171 -1.1308 -1.1308 -1.1303 -1.1303 -0.7512 -0.7512 -0.7508 -0.7508 -0.3381 -0.3381 -0.3373 -0.3373 5.7792 5.7792 5.7795 5.7795 6.7172 6.7172 6.7174 6.7174 8.8821 8.8823 k = 0.0714 0.5000-0.0000 ( 5508 PWs) bands (ev): -20.6139 -20.6139 -20.6139 -20.6139 -17.1285 -17.1285 -17.1285 -17.1285 -15.9917 -15.9917 -15.9917 -15.9917 -9.6207 -9.6207 -9.6203 -9.6203 -8.1214 -8.1214 -8.1197 -8.1197 -7.6030 -7.6030 -7.6012 -7.6012 -5.7205 -5.7205 -5.7186 -5.7186 -4.9312 -4.9312 -4.9302 -4.9302 -3.9183 -3.9183 -3.9179 -3.9179 -1.1297 -1.1297 -1.1292 -1.1292 -0.7496 -0.7496 -0.7492 -0.7492 -0.3367 -0.3367 -0.3360 -0.3360 5.7759 5.7759 5.7762 5.7762 6.7242 6.7242 6.7243 6.7243 8.8624 8.8625 k = 0.0893 0.5000-0.0000 ( 5504 PWs) bands (ev): -20.6139 -20.6139 -20.6139 -20.6139 -17.1283 -17.1283 -17.1283 -17.1283 -15.9921 -15.9921 -15.9920 -15.9920 -9.6214 -9.6214 -9.6210 -9.6210 -8.1166 -8.1166 -8.1148 -8.1148 -7.6040 -7.6040 -7.6021 -7.6021 -5.7315 -5.7315 -5.7296 -5.7296 -4.9242 -4.9242 -4.9232 -4.9232 -3.9194 -3.9194 -3.9189 -3.9189 -1.1283 -1.1283 -1.1277 -1.1277 -0.7476 -0.7476 -0.7472 -0.7472 -0.3351 -0.3351 -0.3343 -0.3343 5.7719 5.7719 5.7721 5.7721 6.7329 6.7329 6.7331 6.7331 8.8377 8.8379 k = 0.1071 0.5000-0.0000 ( 5504 PWs) bands (ev): -20.6138 -20.6138 -20.6138 -20.6138 -17.1281 -17.1281 -17.1281 -17.1281 -15.9925 -15.9925 -15.9925 -15.9925 -9.6223 -9.6223 -9.6219 -9.6219 -8.1108 -8.1108 -8.1090 -8.1090 -7.6051 -7.6051 -7.6032 -7.6032 -5.7446 -5.7446 -5.7427 -5.7427 -4.9161 -4.9161 -4.9150 -4.9150 -3.9206 -3.9206 -3.9202 -3.9202 -1.1266 -1.1266 -1.1260 -1.1260 -0.7452 -0.7452 -0.7448 -0.7448 -0.3330 -0.3330 -0.3323 -0.3323 5.7671 5.7671 5.7673 5.7673 6.7434 6.7434 6.7437 6.7437 8.8086 8.8089 k = 0.1250 0.5000-0.0000 ( 5504 PWs) bands (ev): -20.6138 -20.6138 -20.6138 -20.6138 -17.1279 -17.1279 -17.1279 -17.1279 -15.9931 -15.9931 -15.9930 -15.9930 -9.6232 -9.6232 -9.6228 -9.6228 -8.1041 -8.1041 -8.1023 -8.1023 -7.6064 -7.6064 -7.6045 -7.6045 -5.7593 -5.7593 -5.7575 -5.7575 -4.9071 -4.9071 -4.9059 -4.9059 -3.9221 -3.9221 -3.9216 -3.9216 -1.1246 -1.1246 -1.1241 -1.1241 -0.7425 -0.7425 -0.7420 -0.7420 -0.3307 -0.3307 -0.3300 -0.3300 5.7616 5.7616 5.7619 5.7619 6.7556 6.7556 6.7559 6.7559 8.7756 8.7759 k = 0.1429 0.5000-0.0000 ( 5504 PWs) bands (ev): -20.6137 -20.6137 -20.6137 -20.6137 -17.1276 -17.1276 -17.1276 -17.1276 -15.9936 -15.9936 -15.9936 -15.9936 -9.6243 -9.6243 -9.6239 -9.6239 -8.0965 -8.0965 -8.0947 -8.0947 -7.6079 -7.6079 -7.6060 -7.6060 -5.7755 -5.7755 -5.7737 -5.7737 -4.8973 -4.8973 -4.8960 -4.8960 -3.9237 -3.9237 -3.9232 -3.9232 -1.1225 -1.1225 -1.1219 -1.1219 -0.7395 -0.7395 -0.7389 -0.7389 -0.3281 -0.3281 -0.3274 -0.3274 5.7557 5.7557 5.7559 5.7559 6.7692 6.7692 6.7695 6.7695 8.7394 8.7395 k = 0.1607 0.5000-0.0000 ( 5504 PWs) bands (ev): -20.6136 -20.6136 -20.6136 -20.6136 -17.1274 -17.1274 -17.1274 -17.1274 -15.9943 -15.9943 -15.9943 -15.9943 -9.6254 -9.6254 -9.6250 -9.6250 -8.0881 -8.0881 -8.0863 -8.0863 -7.6095 -7.6095 -7.6077 -7.6077 -5.7928 -5.7928 -5.7911 -5.7911 -4.8869 -4.8869 -4.8856 -4.8856 -3.9255 -3.9255 -3.9250 -3.9250 -1.1201 -1.1201 -1.1195 -1.1195 -0.7362 -0.7362 -0.7356 -0.7356 -0.3252 -0.3252 -0.3245 -0.3245 5.7493 5.7493 5.7496 5.7496 6.7843 6.7843 6.7846 6.7846 8.7004 8.7006 k = 0.1786 0.5000-0.0000 ( 5508 PWs) bands (ev): -20.6136 -20.6136 -20.6136 -20.6136 -17.1271 -17.1271 -17.1271 -17.1271 -15.9950 -15.9950 -15.9950 -15.9950 -9.6266 -9.6266 -9.6263 -9.6263 -8.0790 -8.0790 -8.0772 -8.0772 -7.6114 -7.6114 -7.6096 -7.6096 -5.8111 -5.8111 -5.8094 -5.8094 -4.8762 -4.8762 -4.8749 -4.8749 -3.9274 -3.9274 -3.9269 -3.9269 -1.1175 -1.1175 -1.1169 -1.1169 -0.7327 -0.7327 -0.7320 -0.7320 -0.3221 -0.3221 -0.3214 -0.3214 5.7427 5.7427 5.7429 5.7429 6.8005 6.8005 6.8009 6.8009 8.6591 8.6593 k = 0.1964 0.5000-0.0000 ( 5508 PWs) bands (ev): -20.6135 -20.6135 -20.6135 -20.6135 -17.1267 -17.1267 -17.1267 -17.1267 -15.9957 -15.9957 -15.9957 -15.9957 -9.6279 -9.6279 -9.6275 -9.6275 -8.0692 -8.0692 -8.0675 -8.0675 -7.6134 -7.6134 -7.6116 -7.6116 -5.8301 -5.8301 -5.8284 -5.8284 -4.8652 -4.8652 -4.8639 -4.8639 -3.9295 -3.9295 -3.9290 -3.9290 -1.1148 -1.1148 -1.1142 -1.1142 -0.7289 -0.7289 -0.7283 -0.7283 -0.3188 -0.3188 -0.3181 -0.3181 5.7358 5.7358 5.7360 5.7360 6.8179 6.8179 6.8183 6.8183 8.6164 8.6165 k = 0.2143 0.5000-0.0000 ( 5518 PWs) bands (ev): -20.6134 -20.6134 -20.6134 -20.6134 -17.1264 -17.1264 -17.1264 -17.1264 -15.9965 -15.9965 -15.9965 -15.9965 -9.6292 -9.6292 -9.6289 -9.6289 -8.0590 -8.0590 -8.0572 -8.0572 -7.6156 -7.6156 -7.6138 -7.6138 -5.8495 -5.8495 -5.8479 -5.8479 -4.8542 -4.8542 -4.8529 -4.8529 -3.9317 -3.9317 -3.9311 -3.9311 -1.1119 -1.1119 -1.1113 -1.1113 -0.7251 -0.7251 -0.7245 -0.7245 -0.3153 -0.3153 -0.3147 -0.3147 5.7289 5.7289 5.7291 5.7291 6.8362 6.8362 6.8366 6.8366 8.5726 8.5726 k = 0.2321 0.5000-0.0000 ( 5518 PWs) bands (ev): -20.6133 -20.6133 -20.6133 -20.6133 -17.1261 -17.1261 -17.1260 -17.1260 -15.9973 -15.9973 -15.9973 -15.9973 -9.6305 -9.6305 -9.6302 -9.6302 -8.0483 -8.0483 -8.0465 -8.0465 -7.6180 -7.6180 -7.6162 -7.6162 -5.8690 -5.8690 -5.8675 -5.8675 -4.8433 -4.8433 -4.8420 -4.8420 -3.9339 -3.9339 -3.9334 -3.9334 -1.1090 -1.1090 -1.1084 -1.1084 -0.7212 -0.7212 -0.7205 -0.7205 -0.3117 -0.3117 -0.3111 -0.3111 5.7220 5.7220 5.7222 5.7222 6.8553 6.8553 6.8557 6.8557 8.5282 8.5288 k = 0.2500 0.5000-0.0000 ( 5518 PWs) bands (ev): -20.6133 -20.6133 -20.6132 -20.6132 -17.1257 -17.1257 -17.1257 -17.1257 -15.9981 -15.9981 -15.9980 -15.9980 -9.6319 -9.6319 -9.6316 -9.6316 -8.0373 -8.0373 -8.0355 -8.0355 -7.6204 -7.6204 -7.6187 -7.6187 -5.8885 -5.8885 -5.8871 -5.8871 -4.8326 -4.8326 -4.8313 -4.8313 -3.9361 -3.9361 -3.9356 -3.9356 -1.1060 -1.1060 -1.1055 -1.1055 -0.7172 -0.7172 -0.7166 -0.7166 -0.3081 -0.3081 -0.3074 -0.3074 5.7152 5.7152 5.7153 5.7153 6.8749 6.8749 6.8754 6.8754 8.4837 8.4837 k = 0.2679 0.5000-0.0000 ( 5514 PWs) bands (ev): -20.6132 -20.6132 -20.6132 -20.6132 -17.1254 -17.1254 -17.1253 -17.1253 -15.9988 -15.9988 -15.9988 -15.9988 -9.6332 -9.6332 -9.6329 -9.6329 -8.0260 -8.0260 -8.0243 -8.0243 -7.6230 -7.6230 -7.6213 -7.6213 -5.9077 -5.9077 -5.9064 -5.9064 -4.8223 -4.8223 -4.8210 -4.8210 -3.9384 -3.9384 -3.9379 -3.9379 -1.1030 -1.1030 -1.1025 -1.1025 -0.7133 -0.7133 -0.7127 -0.7127 -0.3044 -0.3044 -0.3038 -0.3038 5.7085 5.7085 5.7087 5.7087 6.8951 6.8951 6.8955 6.8955 8.4395 8.4395 k = 0.2857 0.5000-0.0000 ( 5512 PWs) bands (ev): -20.6131 -20.6131 -20.6131 -20.6131 -17.1250 -17.1250 -17.1250 -17.1250 -15.9996 -15.9996 -15.9996 -15.9996 -9.6345 -9.6345 -9.6343 -9.6343 -8.0147 -8.0147 -8.0131 -8.0131 -7.6257 -7.6257 -7.6240 -7.6240 -5.9265 -5.9265 -5.9252 -5.9252 -4.8123 -4.8123 -4.8111 -4.8111 -3.9407 -3.9407 -3.9402 -3.9402 -1.1001 -1.1001 -1.0996 -1.0996 -0.7095 -0.7095 -0.7088 -0.7088 -0.3007 -0.3007 -0.3001 -0.3001 5.7021 5.7021 5.7022 5.7022 6.9154 6.9154 6.9159 6.9159 8.3961 8.3961 k = 0.3036 0.5000-0.0000 ( 5512 PWs) bands (ev): -20.6130 -20.6130 -20.6130 -20.6130 -17.1247 -17.1247 -17.1247 -17.1247 -16.0004 -16.0004 -16.0004 -16.0004 -9.6358 -9.6358 -9.6355 -9.6355 -8.0035 -8.0035 -8.0019 -8.0019 -7.6285 -7.6285 -7.6268 -7.6268 -5.9446 -5.9446 -5.9434 -5.9434 -4.8029 -4.8029 -4.8017 -4.8017 -3.9429 -3.9429 -3.9424 -3.9424 -1.0972 -1.0972 -1.0967 -1.0967 -0.7057 -0.7057 -0.7051 -0.7051 -0.2971 -0.2971 -0.2966 -0.2966 5.6960 5.6960 5.6961 5.6961 6.9358 6.9358 6.9362 6.9362 8.3539 8.3546 k = 0.3214 0.5000-0.0000 ( 5500 PWs) bands (ev): -20.6129 -20.6129 -20.6129 -20.6129 -17.1243 -17.1243 -17.1243 -17.1243 -16.0011 -16.0011 -16.0011 -16.0011 -9.6370 -9.6370 -9.6367 -9.6367 -7.9925 -7.9925 -7.9909 -7.9909 -7.6313 -7.6313 -7.6297 -7.6297 -5.9618 -5.9618 -5.9607 -5.9607 -4.7940 -4.7940 -4.7929 -4.7929 -3.9450 -3.9450 -3.9446 -3.9446 -1.0944 -1.0944 -1.0939 -1.0939 -0.7021 -0.7021 -0.7016 -0.7016 -0.2936 -0.2936 -0.2931 -0.2931 5.6903 5.6903 5.6904 5.6904 6.9560 6.9560 6.9564 6.9564 8.3133 8.3133 k = 0.3393 0.5000-0.0000 ( 5496 PWs) bands (ev): -20.6129 -20.6129 -20.6129 -20.6129 -17.1240 -17.1240 -17.1240 -17.1240 -16.0018 -16.0018 -16.0018 -16.0018 -9.6381 -9.6381 -9.6379 -9.6379 -7.9818 -7.9818 -7.9803 -7.9803 -7.6341 -7.6341 -7.6326 -7.6326 -5.9779 -5.9779 -5.9770 -5.9770 -4.7858 -4.7858 -4.7848 -4.7848 -3.9470 -3.9470 -3.9466 -3.9466 -1.0918 -1.0918 -1.0913 -1.0913 -0.6988 -0.6988 -0.6982 -0.6982 -0.2902 -0.2902 -0.2898 -0.2898 5.6850 5.6850 5.6851 5.6851 6.9758 6.9758 6.9762 6.9762 8.2746 8.2746 k = 0.3571 0.5000-0.0000 ( 5498 PWs) bands (ev): -20.6128 -20.6128 -20.6128 -20.6128 -17.1237 -17.1237 -17.1237 -17.1237 -16.0025 -16.0025 -16.0025 -16.0025 -9.6391 -9.6391 -9.6389 -9.6389 -7.9716 -7.9716 -7.9702 -7.9702 -7.6368 -7.6368 -7.6354 -7.6354 -5.9929 -5.9929 -5.9920 -5.9920 -4.7783 -4.7783 -4.7774 -4.7774 -3.9490 -3.9490 -3.9486 -3.9486 -1.0893 -1.0893 -1.0889 -1.0889 -0.6956 -0.6956 -0.6952 -0.6952 -0.2871 -0.2871 -0.2867 -0.2867 5.6802 5.6802 5.6802 5.6802 6.9948 6.9948 6.9952 6.9952 8.2384 8.2384 k = 0.3750 0.5000-0.0000 ( 5494 PWs) bands (ev): -20.6127 -20.6127 -20.6127 -20.6127 -17.1235 -17.1235 -17.1235 -17.1235 -16.0030 -16.0030 -16.0030 -16.0030 -9.6401 -9.6401 -9.6399 -9.6399 -7.9621 -7.9621 -7.9608 -7.9608 -7.6395 -7.6395 -7.6382 -7.6382 -6.0065 -6.0065 -6.0057 -6.0057 -4.7716 -4.7716 -4.7707 -4.7707 -3.9507 -3.9507 -3.9504 -3.9504 -1.0870 -1.0870 -1.0867 -1.0867 -0.6928 -0.6928 -0.6924 -0.6924 -0.2842 -0.2842 -0.2839 -0.2839 5.6758 5.6758 5.6759 5.6759 7.0128 7.0128 7.0131 7.0131 8.2049 8.2049 k = 0.3929 0.5000-0.0000 ( 5494 PWs) bands (ev): -20.6127 -20.6127 -20.6127 -20.6127 -17.1232 -17.1232 -17.1232 -17.1232 -16.0036 -16.0036 -16.0036 -16.0036 -9.6409 -9.6409 -9.6408 -9.6408 -7.9534 -7.9534 -7.9522 -7.9522 -7.6420 -7.6420 -7.6408 -7.6408 -6.0186 -6.0186 -6.0179 -6.0179 -4.7657 -4.7657 -4.7649 -4.7649 -3.9523 -3.9523 -3.9520 -3.9520 -1.0850 -1.0850 -1.0847 -1.0847 -0.6902 -0.6902 -0.6899 -0.6899 -0.2816 -0.2816 -0.2813 -0.2813 5.6720 5.6720 5.6721 5.6721 7.0294 7.0294 7.0297 7.0297 8.1747 8.1747 k = 0.4107 0.5000-0.0000 ( 5502 PWs) bands (ev): -20.6126 -20.6126 -20.6126 -20.6126 -17.1230 -17.1230 -17.1230 -17.1230 -16.0040 -16.0040 -16.0040 -16.0040 -9.6416 -9.6416 -9.6415 -9.6415 -7.9457 -7.9457 -7.9447 -7.9447 -7.6443 -7.6443 -7.6432 -7.6432 -6.0290 -6.0290 -6.0285 -6.0285 -4.7606 -4.7606 -4.7599 -4.7599 -3.9536 -3.9536 -3.9534 -3.9534 -1.0832 -1.0832 -1.0830 -1.0830 -0.6880 -0.6880 -0.6877 -0.6877 -0.2794 -0.2794 -0.2791 -0.2791 5.6687 5.6687 5.6688 5.6688 7.0443 7.0443 7.0446 7.0446 8.1482 8.1482 k = 0.4286 0.5000-0.0000 ( 5514 PWs) bands (ev): -20.6126 -20.6126 -20.6126 -20.6126 -17.1229 -17.1229 -17.1229 -17.1229 -16.0044 -16.0044 -16.0044 -16.0044 -9.6422 -9.6422 -9.6421 -9.6421 -7.9391 -7.9391 -7.9382 -7.9382 -7.6462 -7.6462 -7.6454 -7.6454 -6.0377 -6.0377 -6.0373 -6.0373 -4.7564 -4.7564 -4.7559 -4.7559 -3.9548 -3.9548 -3.9546 -3.9546 -1.0818 -1.0818 -1.0816 -1.0816 -0.6862 -0.6862 -0.6859 -0.6859 -0.2775 -0.2775 -0.2773 -0.2773 5.6660 5.6660 5.6661 5.6661 7.0572 7.0572 7.0574 7.0574 8.1257 8.1257 k = 0.4464 0.5000-0.0000 ( 5530 PWs) bands (ev): -20.6126 -20.6126 -20.6126 -20.6126 -17.1227 -17.1227 -17.1227 -17.1227 -16.0047 -16.0047 -16.0047 -16.0047 -9.6427 -9.6427 -9.6426 -9.6426 -7.9337 -7.9337 -7.9331 -7.9331 -7.6478 -7.6478 -7.6472 -7.6472 -6.0446 -6.0446 -6.0443 -6.0443 -4.7531 -4.7531 -4.7527 -4.7527 -3.9557 -3.9557 -3.9556 -3.9556 -1.0806 -1.0806 -1.0805 -1.0805 -0.6847 -0.6847 -0.6845 -0.6845 -0.2760 -0.2760 -0.2758 -0.2758 5.6639 5.6639 5.6640 5.6640 7.0676 7.0676 7.0678 7.0678 8.1078 8.1078 k = 0.4643 0.5000-0.0000 ( 5528 PWs) bands (ev): -20.6126 -20.6126 -20.6125 -20.6125 -17.1226 -17.1226 -17.1226 -17.1226 -16.0050 -16.0050 -16.0050 -16.0050 -9.6430 -9.6430 -9.6430 -9.6430 -7.9298 -7.9298 -7.9294 -7.9294 -7.6490 -7.6490 -7.6485 -7.6485 -6.0495 -6.0495 -6.0493 -6.0493 -4.7507 -4.7507 -4.7504 -4.7504 -3.9564 -3.9564 -3.9562 -3.9562 -1.0798 -1.0798 -1.0796 -1.0796 -0.6837 -0.6837 -0.6835 -0.6835 -0.2749 -0.2749 -0.2747 -0.2747 5.6624 5.6624 5.6624 5.6624 7.0754 7.0754 7.0755 7.0755 8.0947 8.0947 k = 0.4821 0.5000-0.0000 ( 5520 PWs) bands (ev): -20.6125 -20.6125 -20.6125 -20.6125 -17.1226 -17.1226 -17.1226 -17.1226 -16.0051 -16.0051 -16.0051 -16.0051 -9.6432 -9.6432 -9.6432 -9.6432 -7.9274 -7.9274 -7.9271 -7.9271 -7.6496 -7.6496 -7.6494 -7.6494 -6.0525 -6.0525 -6.0524 -6.0524 -4.7492 -4.7492 -4.7490 -4.7490 -3.9567 -3.9567 -3.9567 -3.9567 -1.0792 -1.0792 -1.0792 -1.0792 -0.6830 -0.6830 -0.6829 -0.6829 -0.2742 -0.2742 -0.2741 -0.2741 5.6615 5.6615 5.6615 5.6615 7.0801 7.0801 7.0802 7.0802 8.0868 8.0868 k = 0.5000 0.5000-0.0000 ( 5520 PWs) bands (ev): -20.6125 -20.6125 -20.6125 -20.6125 -17.1226 -17.1226 -17.1226 -17.1226 -16.0051 -16.0051 -16.0051 -16.0051 -9.6433 -9.6433 -9.6433 -9.6433 -7.9265 -7.9265 -7.9265 -7.9265 -7.6498 -7.6498 -7.6498 -7.6498 -6.0534 -6.0534 -6.0534 -6.0534 -4.7486 -4.7486 -4.7486 -4.7486 -3.9568 -3.9568 -3.9568 -3.9568 -1.0790 -1.0790 -1.0790 -1.0790 -0.6828 -0.6828 -0.6828 -0.6828 -0.2739 -0.2739 -0.2739 -0.2739 5.6612 5.6612 5.6612 5.6612 7.0818 7.0818 7.0818 7.0818 8.0841 8.0841 k = 0.5000 0.5000-0.0000 ( 5520 PWs) bands (ev): -20.6125 -20.6125 -20.6125 -20.6125 -17.1226 -17.1226 -17.1226 -17.1226 -16.0051 -16.0051 -16.0051 -16.0051 -9.6433 -9.6433 -9.6433 -9.6433 -7.9265 -7.9265 -7.9265 -7.9265 -7.6498 -7.6498 -7.6498 -7.6498 -6.0534 -6.0534 -6.0534 -6.0534 -4.7486 -4.7486 -4.7486 -4.7486 -3.9568 -3.9568 -3.9568 -3.9568 -1.0790 -1.0790 -1.0790 -1.0790 -0.6828 -0.6828 -0.6828 -0.6828 -0.2739 -0.2739 -0.2739 -0.2739 5.6612 5.6612 5.6612 5.6612 7.0818 7.0818 7.0818 7.0818 8.0841 8.0841 k = 0.4875 0.4875-0.0000 ( 5522 PWs) bands (ev): -20.6127 -20.6127 -20.6124 -20.6124 -17.1226 -17.1226 -17.1226 -17.1226 -16.0051 -16.0051 -16.0051 -16.0051 -9.6436 -9.6436 -9.6428 -9.6428 -7.9282 -7.9279 -7.9265 -7.9263 -7.6498 -7.6498 -7.6493 -7.6492 -6.0534 -6.0534 -6.0515 -6.0514 -4.7498 -4.7496 -4.7485 -4.7485 -3.9571 -3.9570 -3.9564 -3.9563 -1.0793 -1.0792 -1.0791 -1.0791 -0.6830 -0.6830 -0.6830 -0.6829 -0.2748 -0.2748 -0.2735 -0.2734 5.6608 5.6609 5.6622 5.6622 7.0763 7.0764 7.0840 7.0841 8.0844 8.0844 k = 0.4750 0.4750-0.0000 ( 5530 PWs) bands (ev): -20.6130 -20.6130 -20.6121 -20.6121 -17.1228 -17.1228 -17.1225 -17.1225 -16.0050 -16.0050 -16.0049 -16.0049 -9.6446 -9.6446 -9.6415 -9.6414 -7.9331 -7.9326 -7.9263 -7.9261 -7.6497 -7.6497 -7.6480 -7.6477 -6.0534 -6.0534 -6.0456 -6.0456 -4.7530 -4.7527 -4.7481 -4.7481 -3.9577 -3.9576 -3.9550 -3.9549 -1.0800 -1.0798 -1.0795 -1.0794 -0.6838 -0.6836 -0.6835 -0.6834 -0.2776 -0.2776 -0.2721 -0.2719 5.6597 5.6597 5.6651 5.6651 7.0604 7.0606 7.0909 7.0910 8.0852 8.0852 k = 0.4625 0.4625-0.0000 ( 5530 PWs) bands (ev): -20.6137 -20.6137 -20.6115 -20.6115 -17.1230 -17.1230 -17.1225 -17.1225 -16.0049 -16.0049 -16.0046 -16.0046 -9.6462 -9.6462 -9.6392 -9.6391 -7.9409 -7.9402 -7.9260 -7.9256 -7.6496 -7.6496 -7.6458 -7.6454 -6.0534 -6.0534 -6.0360 -6.0359 -4.7582 -4.7578 -4.7475 -4.7475 -3.9587 -3.9586 -3.9528 -3.9526 -1.0811 -1.0809 -1.0800 -1.0799 -0.6849 -0.6848 -0.6844 -0.6842 -0.2821 -0.2821 -0.2697 -0.2695 5.6579 5.6579 5.6699 5.6699 7.0351 7.0353 7.1023 7.1024 8.0866 8.0866 k = 0.4500 0.4500-0.0000 ( 5516 PWs) bands (ev): -20.6145 -20.6145 -20.6107 -20.6107 -17.1233 -17.1233 -17.1224 -17.1224 -16.0048 -16.0048 -16.0041 -16.0041 -9.6485 -9.6484 -9.6360 -9.6359 -7.9514 -7.9505 -7.9256 -7.9251 -7.6495 -7.6494 -7.6428 -7.6424 -6.0534 -6.0534 -6.0227 -6.0226 -4.7655 -4.7649 -4.7466 -4.7466 -3.9601 -3.9599 -3.9496 -3.9495 -1.0826 -1.0823 -1.0807 -1.0807 -0.6866 -0.6863 -0.6856 -0.6853 -0.2884 -0.2884 -0.2664 -0.2662 5.6554 5.6554 5.6765 5.6765 7.0016 7.0019 7.1182 7.1183 8.0886 8.0887 k = 0.4375 0.4375-0.0000 ( 5512 PWs) bands (ev): -20.6157 -20.6156 -20.6096 -20.6096 -17.1237 -17.1237 -17.1224 -17.1224 -16.0046 -16.0046 -16.0035 -16.0035 -9.6514 -9.6513 -9.6319 -9.6318 -7.9642 -7.9632 -7.9250 -7.9243 -7.6492 -7.6492 -7.6394 -7.6389 -6.0534 -6.0534 -6.0061 -6.0060 -4.7745 -4.7738 -4.7454 -4.7454 -3.9619 -3.9617 -3.9457 -3.9455 -1.0845 -1.0841 -1.0816 -1.0815 -0.6886 -0.6883 -0.6871 -0.6867 -0.2964 -0.2964 -0.2623 -0.2620 5.6522 5.6522 5.6849 5.6849 6.9616 6.9619 7.1384 7.1386 8.0913 8.0914 k = 0.4250 0.4250-0.0000 ( 5500 PWs) bands (ev): -20.6170 -20.6170 -20.6084 -20.6083 -17.1242 -17.1242 -17.1223 -17.1223 -16.0044 -16.0044 -16.0029 -16.0029 -9.6548 -9.6547 -9.6269 -9.6268 -7.9790 -7.9779 -7.9241 -7.9234 -7.6490 -7.6490 -7.6356 -7.6351 -6.0534 -6.0534 -5.9866 -5.9864 -4.7853 -4.7845 -4.7440 -4.7440 -3.9641 -3.9638 -3.9410 -3.9408 -1.0866 -1.0862 -1.0827 -1.0826 -0.6910 -0.6906 -0.6888 -0.6884 -0.3060 -0.3060 -0.2574 -0.2570 5.6483 5.6484 5.6949 5.6949 6.9163 6.9166 7.1630 7.1632 8.0947 8.0948 k = 0.4125 0.4125-0.0000 ( 5504 PWs) bands (ev): -20.6186 -20.6186 -20.6069 -20.6069 -17.1248 -17.1248 -17.1222 -17.1221 -16.0041 -16.0041 -16.0021 -16.0021 -9.6589 -9.6588 -9.6211 -9.6209 -7.9954 -7.9942 -7.9231 -7.9222 -7.6487 -7.6487 -7.6316 -7.6311 -6.0534 -6.0534 -5.9644 -5.9642 -4.7977 -4.7968 -4.7424 -4.7424 -3.9667 -3.9663 -3.9357 -3.9355 -1.0890 -1.0885 -1.0839 -1.0838 -0.6938 -0.6934 -0.6907 -0.6902 -0.3172 -0.3171 -0.2517 -0.2513 5.6439 5.6439 5.7065 5.7065 6.8670 6.8674 7.1917 7.1919 8.0989 8.0990 k = 0.4000 0.4000-0.0000 ( 5502 PWs) bands (ev): -20.6204 -20.6204 -20.6052 -20.6052 -17.1254 -17.1254 -17.1220 -17.1220 -16.0038 -16.0038 -16.0013 -16.0013 -9.6635 -9.6634 -9.6144 -9.6142 -8.0131 -8.0118 -7.9217 -7.9207 -7.6484 -7.6484 -7.6275 -7.6271 -6.0534 -6.0533 -5.9400 -5.9398 -4.8115 -4.8105 -4.7406 -4.7405 -3.9696 -3.9692 -3.9298 -3.9296 -1.0916 -1.0910 -1.0853 -1.0852 -0.6969 -0.6964 -0.6927 -0.6922 -0.3298 -0.3297 -0.2454 -0.2450 5.6389 5.6389 5.7195 5.7196 6.8149 6.8153 7.2244 7.2246 8.1039 8.1041 k = 0.3875 0.3875-0.0000 ( 5508 PWs) bands (ev): -20.6224 -20.6224 -20.6033 -20.6033 -17.1261 -17.1261 -17.1219 -17.1219 -16.0035 -16.0035 -16.0004 -16.0004 -9.6687 -9.6685 -9.6070 -9.6067 -8.0317 -8.0305 -7.9201 -7.9190 -7.6480 -7.6480 -7.6235 -7.6231 -6.0533 -6.0533 -5.9140 -5.9137 -4.8263 -4.8253 -4.7385 -4.7385 -3.9729 -3.9725 -3.9235 -3.9233 -1.0942 -1.0936 -1.0867 -1.0866 -0.7004 -0.6998 -0.6948 -0.6943 -0.3436 -0.3436 -0.2385 -0.2380 5.6332 5.6333 5.7338 5.7339 6.7608 6.7612 7.2608 7.2611 8.1099 8.1101 k = 0.3750 0.3750-0.0000 ( 5506 PWs) bands (ev): -20.6245 -20.6245 -20.6013 -20.6013 -17.1269 -17.1268 -17.1217 -17.1217 -16.0031 -16.0031 -15.9995 -15.9995 -9.6744 -9.6742 -9.5987 -9.5985 -8.0510 -8.0497 -7.9181 -7.9169 -7.6476 -7.6476 -7.6195 -7.6192 -6.0533 -6.0533 -5.8868 -5.8865 -4.8421 -4.8410 -4.7362 -4.7362 -3.9766 -3.9761 -3.9167 -3.9165 -1.0969 -1.0962 -1.0883 -1.0882 -0.7042 -0.7036 -0.6969 -0.6963 -0.3587 -0.3587 -0.2311 -0.2306 5.6271 5.6272 5.7493 5.7493 6.7055 6.7059 7.3009 7.3012 8.1170 8.1172 k = 0.3625 0.3625-0.0000 ( 5508 PWs) bands (ev): -20.6269 -20.6269 -20.5991 -20.5991 -17.1277 -17.1277 -17.1215 -17.1215 -16.0027 -16.0027 -15.9985 -15.9985 -9.6805 -9.6803 -9.5897 -9.5895 -8.0708 -8.0695 -7.9157 -7.9144 -7.6472 -7.6472 -7.6156 -7.6155 -6.0533 -6.0533 -5.8589 -5.8586 -4.8584 -4.8573 -4.7337 -4.7337 -3.9805 -3.9801 -3.9096 -3.9094 -1.0994 -1.0988 -1.0899 -1.0898 -0.7083 -0.7076 -0.6990 -0.6983 -0.3748 -0.3747 -0.2233 -0.2228 5.6203 5.6204 5.7657 5.7657 6.6497 6.6501 7.3444 7.3447 8.1252 8.1255 k = 0.3500 0.3500-0.0000 ( 5504 PWs) bands (ev): -20.6294 -20.6294 -20.5967 -20.5967 -17.1285 -17.1285 -17.1213 -17.1213 -16.0022 -16.0022 -15.9976 -15.9976 -9.6871 -9.6869 -9.5800 -9.5797 -8.0906 -8.0894 -7.9129 -7.9115 -7.6467 -7.6467 -7.6120 -7.6119 -6.0533 -6.0532 -5.8311 -5.8308 -4.8748 -4.8738 -4.7311 -4.7311 -3.9849 -3.9844 -3.9022 -3.9021 -1.1019 -1.1011 -1.0916 -1.0915 -0.7127 -0.7120 -0.7009 -0.7002 -0.3917 -0.3917 -0.2151 -0.2146 5.6129 5.6130 5.7829 5.7829 6.5940 6.5944 7.3910 7.3912 8.1347 8.1350 k = 0.3375 0.3375-0.0000 ( 5512 PWs) bands (ev): -20.6321 -20.6321 -20.5942 -20.5942 -17.1294 -17.1294 -17.1211 -17.1211 -16.0018 -16.0018 -15.9966 -15.9966 -9.6942 -9.6939 -9.5697 -9.5694 -8.1105 -8.1092 -7.9097 -7.9081 -7.6462 -7.6462 -7.6086 -7.6085 -6.0533 -6.0532 -5.8039 -5.8036 -4.8910 -4.8900 -4.7283 -4.7283 -3.9895 -3.9890 -3.8947 -3.8947 -1.1041 -1.1033 -1.0933 -1.0931 -0.7175 -0.7167 -0.7027 -0.7020 -0.4093 -0.4093 -0.2067 -0.2061 5.6047 5.6049 5.8007 5.8007 6.5390 6.5393 7.4403 7.4406 8.1456 8.1459 k = 0.3250 0.3250-0.0000 ( 5516 PWs) bands (ev): -20.6348 -20.6348 -20.5915 -20.5915 -17.1303 -17.1303 -17.1209 -17.1209 -16.0013 -16.0013 -15.9956 -15.9956 -9.7015 -9.7013 -9.5587 -9.5584 -8.1301 -8.1289 -7.9059 -7.9043 -7.6457 -7.6457 -7.6055 -7.6053 -6.0532 -6.0532 -5.7781 -5.7778 -4.9064 -4.9055 -4.7253 -4.7253 -3.9944 -3.9940 -3.8871 -3.8871 -1.1060 -1.1053 -1.0950 -1.0948 -0.7227 -0.7219 -0.7042 -0.7034 -0.4274 -0.4273 -0.1981 -0.1975 5.5958 5.5959 5.8189 5.8189 6.4851 6.4854 7.4922 7.4925 8.1579 8.1583 k = 0.3125 0.3125-0.0000 ( 5512 PWs) bands (ev): -20.6377 -20.6377 -20.5888 -20.5887 -17.1313 -17.1313 -17.1206 -17.1206 -16.0008 -16.0008 -15.9947 -15.9947 -9.7092 -9.7089 -9.5472 -9.5469 -8.1493 -8.1481 -7.9016 -7.8998 -7.6452 -7.6451 -7.6027 -7.6023 -6.0532 -6.0531 -5.7543 -5.7541 -4.9205 -4.9197 -4.7222 -4.7222 -3.9997 -3.9992 -3.8795 -3.8795 -1.1076 -1.1069 -1.0966 -1.0964 -0.7283 -0.7274 -0.7054 -0.7046 -0.4458 -0.4457 -0.1894 -0.1887 5.5858 5.5860 5.8373 5.8373 6.4328 6.4332 7.5462 7.5465 8.1719 8.1724 k = 0.3000 0.3000-0.0000 ( 5514 PWs) bands (ev): -20.6407 -20.6407 -20.5859 -20.5859 -17.1322 -17.1322 -17.1203 -17.1203 -16.0003 -16.0003 -15.9938 -15.9938 -9.7171 -9.7169 -9.5352 -9.5349 -8.1681 -8.1669 -7.8967 -7.8948 -7.6446 -7.6446 -7.6001 -7.5997 -6.0531 -6.0531 -5.7335 -5.7334 -4.9326 -4.9319 -4.7190 -4.7190 -4.0052 -4.0048 -3.8720 -3.8719 -1.1088 -1.1081 -1.0982 -1.0979 -0.7344 -0.7335 -0.7062 -0.7054 -0.4642 -0.4641 -0.1805 -0.1799 5.5747 5.5749 5.8558 5.8559 6.3828 6.3832 7.6020 7.6022 8.1877 8.1881 k = 0.2875 0.2875-0.0000 ( 5514 PWs) bands (ev): -20.6438 -20.6438 -20.5830 -20.5830 -17.1332 -17.1332 -17.1200 -17.1200 -15.9997 -15.9997 -15.9930 -15.9930 -9.7253 -9.7250 -9.5228 -9.5225 -8.1861 -8.1850 -7.8912 -7.8892 -7.6440 -7.6440 -7.5979 -7.5972 -6.0531 -6.0530 -5.7163 -5.7163 -4.9421 -4.9416 -4.7157 -4.7156 -4.0110 -4.0106 -3.8645 -3.8643 -1.1096 -1.1089 -1.0996 -1.0994 -0.7412 -0.7402 -0.7066 -0.7058 -0.4825 -0.4824 -0.1717 -0.1711 5.5622 5.5624 5.8742 5.8743 6.3355 6.3358 7.6589 7.6591 8.2052 8.2057 k = 0.2750 0.2750-0.0000 ( 5516 PWs) bands (ev): -20.6469 -20.6469 -20.5800 -20.5799 -17.1342 -17.1342 -17.1197 -17.1197 -15.9992 -15.9992 -15.9922 -15.9922 -9.7336 -9.7333 -9.5101 -9.5097 -8.2035 -8.2023 -7.8850 -7.8829 -7.6434 -7.6434 -7.5959 -7.5951 -6.0530 -6.0530 -5.7036 -5.7035 -4.9484 -4.9481 -4.7123 -4.7122 -4.0171 -4.0167 -3.8571 -3.8569 -1.1100 -1.1092 -1.1010 -1.1007 -0.7486 -0.7476 -0.7066 -0.7058 -0.5004 -0.5003 -0.1630 -0.1623 5.5480 5.5482 5.8924 5.8924 6.2913 6.2917 7.7164 7.7166 8.2247 8.2253 k = 0.2625 0.2625-0.0000 ( 5500 PWs) bands (ev): -20.6500 -20.6500 -20.5769 -20.5769 -17.1351 -17.1351 -17.1193 -17.1193 -15.9986 -15.9986 -15.9915 -15.9915 -9.7420 -9.7417 -9.4970 -9.4967 -8.2200 -8.2189 -7.8782 -7.8759 -7.6428 -7.6428 -7.5942 -7.5932 -6.0529 -6.0529 -5.6958 -5.6957 -4.9510 -4.9509 -4.7088 -4.7088 -4.0234 -4.0231 -3.8499 -3.8496 -1.1098 -1.1091 -1.1021 -1.1018 -0.7569 -0.7558 -0.7061 -0.7053 -0.5177 -0.5175 -0.1543 -0.1537 5.5320 5.5322 5.9101 5.9102 6.2507 6.2511 7.7737 7.7739 8.2462 8.2468 k = 0.2500 0.2500-0.0000 ( 5500 PWs) bands (ev): -20.6532 -20.6532 -20.5738 -20.5738 -17.1361 -17.1361 -17.1190 -17.1190 -15.9981 -15.9981 -15.9909 -15.9909 -9.7504 -9.7501 -9.4838 -9.4835 -8.2357 -8.2346 -7.8706 -7.8682 -7.6422 -7.6422 -7.5928 -7.5917 -6.0529 -6.0528 -5.6934 -5.6931 -4.9497 -4.9496 -4.7053 -4.7053 -4.0300 -4.0297 -3.8428 -3.8426 -1.1092 -1.1085 -1.1031 -1.1028 -0.7660 -0.7648 -0.7051 -0.7043 -0.5341 -0.5338 -0.1458 -0.1452 5.5139 5.5142 5.9273 5.9274 6.2142 6.2146 7.8299 7.8300 8.2697 8.2704 k = 0.2375 0.2375-0.0000 ( 5500 PWs) bands (ev): -20.6563 -20.6563 -20.5708 -20.5708 -17.1370 -17.1370 -17.1186 -17.1186 -15.9975 -15.9975 -15.9904 -15.9904 -9.7589 -9.7586 -9.4705 -9.4702 -8.2505 -8.2495 -7.8623 -7.8599 -7.6416 -7.6416 -7.5917 -7.5904 -6.0528 -6.0527 -5.6965 -5.6961 -4.9444 -4.9441 -4.7018 -4.7018 -4.0367 -4.0365 -3.8361 -3.8357 -1.1081 -1.1075 -1.1039 -1.1035 -0.7761 -0.7749 -0.7036 -0.7029 -0.5494 -0.5492 -0.1376 -0.1369 5.4937 5.4940 5.9438 5.9439 6.1820 6.1823 7.8838 7.8839 8.2954 8.2960 k = 0.2250 0.2250-0.0000 ( 5509 PWs) bands (ev): -20.6594 -20.6594 -20.5677 -20.5677 -17.1379 -17.1379 -17.1182 -17.1182 -15.9970 -15.9970 -15.9900 -15.9900 -9.7673 -9.7670 -9.4572 -9.4569 -8.2644 -8.2634 -7.8533 -7.8508 -7.6411 -7.6410 -7.5908 -7.5894 -6.0527 -6.0526 -5.7047 -5.7042 -4.9353 -4.9347 -4.6983 -4.6983 -4.0438 -4.0436 -3.8295 -3.8292 -1.1067 -1.1060 -1.1044 -1.1041 -0.7872 -0.7860 -0.7016 -0.7009 -0.5636 -0.5632 -0.1295 -0.1289 5.4713 5.4716 5.9596 5.9597 6.1542 6.1546 7.9339 7.9339 8.3231 8.3238 k = 0.2125 0.2125-0.0000 ( 5505 PWs) bands (ev): -20.6625 -20.6625 -20.5647 -20.5647 -17.1388 -17.1388 -17.1178 -17.1178 -15.9964 -15.9964 -15.9897 -15.9897 -9.7755 -9.7753 -9.4440 -9.4437 -8.2773 -8.2764 -7.8436 -7.8409 -7.6405 -7.6405 -7.5903 -7.5887 -6.0526 -6.0526 -5.7178 -5.7172 -4.9225 -4.9218 -4.6948 -4.6948 -4.0510 -4.0509 -3.8232 -3.8229 -1.1051 -1.1044 -1.1043 -1.1040 -0.7993 -0.7980 -0.6992 -0.6985 -0.5763 -0.5760 -0.1218 -0.1212 5.4468 5.4471 5.9745 5.9746 6.1309 6.1312 7.9785 7.9785 8.3530 8.3538 k = 0.2000 0.2000-0.0000 ( 5505 PWs) bands (ev): -20.6655 -20.6655 -20.5617 -20.5617 -17.1396 -17.1396 -17.1174 -17.1174 -15.9959 -15.9959 -15.9894 -15.9894 -9.7837 -9.7834 -9.4309 -9.4306 -8.2893 -8.2884 -7.8332 -7.8304 -7.6399 -7.6399 -7.5901 -7.5883 -6.0525 -6.0525 -5.7351 -5.7344 -4.9068 -4.9059 -4.6914 -4.6913 -4.0583 -4.0583 -3.8173 -3.8168 -1.1048 -1.1043 -1.1022 -1.1017 -0.8124 -0.8111 -0.6963 -0.6957 -0.5877 -0.5873 -0.1143 -0.1138 5.4206 5.4208 5.9884 5.9886 6.1119 6.1123 8.0157 8.0157 8.3850 8.3858 k = 0.1875 0.1875-0.0000 ( 5499 PWs) bands (ev): -20.6685 -20.6684 -20.5588 -20.5588 -17.1405 -17.1404 -17.1170 -17.1170 -15.9954 -15.9954 -15.9893 -15.9893 -9.7916 -9.7913 -9.4181 -9.4178 -8.3003 -8.2995 -7.8221 -7.8192 -7.6393 -7.6393 -7.5902 -7.5883 -6.0524 -6.0524 -5.7558 -5.7551 -4.8887 -4.8876 -4.6880 -4.6880 -4.0659 -4.0659 -3.8116 -3.8111 -1.1045 -1.1039 -1.0995 -1.0991 -0.8263 -0.8249 -0.6930 -0.6924 -0.5977 -0.5973 -0.1073 -0.1067 5.3928 5.3931 6.0015 6.0016 6.0971 6.0974 8.0441 8.0442 8.4191 8.4199 k = 0.1750 0.1750-0.0000 ( 5517 PWs) bands (ev): -20.6713 -20.6713 -20.5560 -20.5560 -17.1412 -17.1412 -17.1166 -17.1166 -15.9949 -15.9949 -15.9892 -15.9892 -9.7992 -9.7989 -9.4056 -9.4053 -8.3105 -8.3097 -7.8105 -7.8075 -7.6388 -7.6388 -7.5906 -7.5885 -6.0523 -6.0523 -5.7794 -5.7786 -4.8689 -4.8677 -4.6847 -4.6847 -4.0737 -4.0736 -3.8062 -3.8058 -1.1038 -1.1032 -1.0965 -1.0961 -0.8408 -0.8395 -0.6895 -0.6889 -0.6063 -0.6060 -0.1005 -0.1000 5.3641 5.3644 6.0135 6.0137 6.0859 6.0862 8.0631 8.0632 8.4552 8.4560 k = 0.1625 0.1625-0.0000 ( 5517 PWs) bands (ev): -20.6740 -20.6740 -20.5533 -20.5533 -17.1420 -17.1420 -17.1162 -17.1162 -15.9944 -15.9944 -15.9892 -15.9892 -9.8065 -9.8063 -9.3936 -9.3933 -8.3197 -8.3189 -7.7983 -7.7951 -7.6383 -7.6383 -7.5913 -7.5890 -6.0522 -6.0522 -5.8049 -5.8042 -4.8479 -4.8466 -4.6816 -4.6815 -4.0815 -4.0813 -3.8012 -3.8008 -1.1028 -1.1022 -1.0933 -1.0929 -0.8559 -0.8545 -0.6856 -0.6851 -0.6138 -0.6135 -0.0942 -0.0937 5.3349 5.3351 6.0246 6.0247 6.0780 6.0783 8.0731 8.0733 8.4931 8.4939 k = 0.1500 0.1500-0.0000 ( 5513 PWs) bands (ev): -20.6766 -20.6766 -20.5507 -20.5507 -17.1426 -17.1426 -17.1158 -17.1158 -15.9939 -15.9939 -15.9893 -15.9893 -9.8134 -9.8132 -9.3821 -9.3818 -8.3280 -8.3273 -7.7856 -7.7823 -7.6378 -7.6378 -7.5924 -7.5899 -6.0521 -6.0521 -5.8317 -5.8310 -4.8263 -4.8250 -4.6785 -4.6785 -4.0893 -4.0891 -3.7965 -3.7961 -1.1014 -1.1007 -1.0899 -1.0896 -0.8712 -0.8698 -0.6816 -0.6811 -0.6202 -0.6199 -0.0883 -0.0878 5.3057 5.3059 6.0346 6.0347 6.0729 6.0732 8.0757 8.0758 8.5327 8.5336 k = 0.1375 0.1375-0.0000 ( 5517 PWs) bands (ev): -20.6790 -20.6790 -20.5482 -20.5482 -17.1433 -17.1433 -17.1154 -17.1154 -15.9935 -15.9935 -15.9894 -15.9894 -9.8200 -9.8198 -9.3711 -9.3709 -8.3356 -8.3349 -7.7725 -7.7692 -7.6373 -7.6373 -7.5937 -7.5911 -6.0520 -6.0520 -5.8592 -5.8585 -4.8046 -4.8033 -4.6757 -4.6756 -4.0971 -4.0968 -3.7922 -3.7918 -1.0995 -1.0989 -1.0864 -1.0861 -0.8866 -0.8853 -0.6775 -0.6771 -0.6256 -0.6253 -0.0828 -0.0823 5.2769 5.2772 6.0437 6.0438 6.0702 6.0704 8.0724 8.0726 8.5740 8.5748 k = 0.1250 0.1250-0.0000 ( 5525 PWs) bands (ev): -20.6813 -20.6813 -20.5459 -20.5459 -17.1439 -17.1439 -17.1151 -17.1151 -15.9931 -15.9931 -15.9895 -15.9895 -9.8261 -9.8259 -9.3609 -9.3607 -8.3422 -8.3416 -7.7592 -7.7557 -7.6369 -7.6369 -7.5955 -7.5926 -6.0520 -6.0519 -5.8866 -5.8860 -4.7833 -4.7820 -4.6730 -4.6729 -4.1048 -4.1045 -3.7883 -3.7878 -1.0973 -1.0966 -1.0828 -1.0826 -0.9019 -0.9006 -0.6733 -0.6729 -0.6302 -0.6299 -0.0778 -0.0773 5.2492 5.2494 6.0518 6.0519 6.0693 6.0696 8.0652 8.0654 8.6165 8.6174 k = 0.1125 0.1125-0.0000 ( 5525 PWs) bands (ev): -20.6834 -20.6834 -20.5438 -20.5438 -17.1444 -17.1444 -17.1147 -17.1147 -15.9927 -15.9927 -15.9897 -15.9897 -9.8317 -9.8316 -9.3514 -9.3512 -8.3481 -8.3476 -7.7458 -7.7422 -7.6365 -7.6365 -7.5976 -7.5946 -6.0519 -6.0519 -5.9135 -5.9129 -4.7627 -4.7614 -4.6705 -4.6704 -4.1123 -4.1120 -3.7847 -3.7843 -1.0946 -1.0939 -1.0793 -1.0791 -0.9169 -0.9157 -0.6692 -0.6689 -0.6340 -0.6338 -0.0732 -0.0728 5.2228 5.2230 6.0589 6.0591 6.0699 6.0701 8.0555 8.0556 8.6602 8.6611 k = 0.1000 0.1000-0.0000 ( 5527 PWs) bands (ev): -20.6853 -20.6853 -20.5419 -20.5419 -17.1449 -17.1449 -17.1144 -17.1144 -15.9923 -15.9923 -15.9899 -15.9899 -9.8369 -9.8367 -9.3428 -9.3426 -8.3533 -8.3528 -7.7324 -7.7287 -7.6361 -7.6361 -7.6001 -7.5969 -6.0518 -6.0518 -5.9392 -5.9386 -4.7432 -4.7419 -4.6682 -4.6682 -4.1196 -4.1192 -3.7814 -3.7810 -1.0915 -1.0907 -1.0760 -1.0758 -0.9315 -0.9303 -0.6653 -0.6650 -0.6373 -0.6370 -0.0690 -0.0687 5.1983 5.1985 6.0652 6.0653 6.0716 6.0718 8.0444 8.0446 8.7046 8.7055 k = 0.0875 0.0875-0.0000 ( 5511 PWs) bands (ev): -20.6871 -20.6870 -20.5401 -20.5401 -17.1453 -17.1453 -17.1141 -17.1141 -15.9920 -15.9920 -15.9901 -15.9901 -9.8415 -9.8413 -9.3350 -9.3348 -8.3577 -8.3573 -7.7192 -7.7154 -7.6358 -7.6358 -7.6031 -7.5997 -6.0517 -6.0517 -5.9632 -5.9627 -4.7251 -4.7239 -4.6661 -4.6661 -4.1265 -4.1261 -3.7785 -3.7782 -1.0879 -1.0871 -1.0728 -1.0726 -0.9456 -0.9444 -0.6616 -0.6613 -0.6399 -0.6397 -0.0654 -0.0650 5.1758 5.1760 6.0706 6.0707 6.0740 6.0741 8.0331 8.0332 8.7493 8.7502 k = 0.0750 0.0750-0.0000 ( 5507 PWs) bands (ev): -20.6886 -20.6886 -20.5386 -20.5386 -17.1457 -17.1457 -17.1138 -17.1138 -15.9918 -15.9918 -15.9903 -15.9903 -9.8455 -9.8454 -9.3282 -9.3280 -8.3615 -8.3612 -7.7063 -7.7024 -7.6355 -7.6355 -7.6065 -7.6030 -6.0516 -6.0516 -5.9852 -5.9847 -4.7087 -4.7076 -4.6643 -4.6643 -4.1328 -4.1324 -3.7761 -3.7757 -1.0839 -1.0831 -1.0698 -1.0697 -0.9588 -0.9577 -0.6582 -0.6579 -0.6421 -0.6419 -0.0622 -0.0619 5.1558 5.1559 6.0751 6.0752 6.0768 6.0769 8.0221 8.0222 8.7937 8.7946 k = 0.0625 0.0625-0.0000 ( 5499 PWs) bands (ev): -20.6899 -20.6899 -20.5373 -20.5373 -17.1460 -17.1460 -17.1136 -17.1136 -15.9915 -15.9915 -15.9905 -15.9905 -9.8489 -9.8488 -9.3223 -9.3222 -8.3647 -8.3643 -7.6939 -7.6898 -7.6352 -7.6352 -7.6105 -7.6068 -6.0516 -6.0516 -6.0045 -6.0042 -4.6942 -4.6933 -4.6627 -4.6627 -4.1385 -4.1382 -3.7739 -3.7737 -1.0795 -1.0787 -1.0672 -1.0671 -0.9712 -0.9702 -0.6552 -0.6550 -0.6438 -0.6436 -0.0595 -0.0592 5.1384 5.1386 6.0788 6.0789 6.0798 6.0799 8.0119 8.0121 8.8369 8.8378 k = 0.0500 0.0500-0.0000 ( 5497 PWs) bands (ev): -20.6909 -20.6909 -20.5362 -20.5362 -17.1463 -17.1463 -17.1134 -17.1134 -15.9913 -15.9913 -15.9907 -15.9906 -9.8518 -9.8517 -9.3175 -9.3174 -8.3672 -8.3669 -7.6821 -7.6780 -7.6350 -7.6350 -7.6151 -7.6113 -6.0515 -6.0515 -6.0209 -6.0207 -4.6820 -4.6813 -4.6614 -4.6614 -4.1434 -4.1431 -3.7722 -3.7720 -1.0749 -1.0740 -1.0649 -1.0649 -0.9825 -0.9816 -0.6527 -0.6525 -0.6451 -0.6450 -0.0572 -0.0570 5.1240 5.1241 6.0817 6.0818 6.0826 6.0827 8.0032 8.0033 8.8777 8.8785 k = 0.0375 0.0375-0.0000 ( 5497 PWs) bands (ev): -20.6918 -20.6918 -20.5353 -20.5353 -17.1465 -17.1465 -17.1133 -17.1132 -15.9912 -15.9912 -15.9908 -15.9908 -9.8540 -9.8539 -9.3136 -9.3136 -8.3691 -8.3689 -7.6710 -7.6669 -7.6349 -7.6348 -7.6203 -7.6164 -6.0515 -6.0515 -6.0341 -6.0339 -4.6723 -4.6717 -4.6603 -4.6603 -4.1474 -4.1472 -3.7708 -3.7707 -1.0702 -1.0694 -1.0631 -1.0630 -0.9924 -0.9916 -0.6508 -0.6506 -0.6460 -0.6459 -0.0555 -0.0553 5.1125 5.1126 6.0840 6.0841 6.0849 6.0850 7.9960 7.9961 8.9144 8.9151 k = 0.0250 0.0250-0.0000 ( 5497 PWs) bands (ev): -20.6924 -20.6924 -20.5347 -20.5347 -17.1466 -17.1466 -17.1131 -17.1131 -15.9911 -15.9911 -15.9909 -15.9909 -9.8556 -9.8556 -9.3109 -9.3109 -8.3704 -8.3703 -7.6608 -7.6569 -7.6348 -7.6347 -7.6261 -7.6222 -6.0515 -6.0515 -6.0436 -6.0435 -4.6652 -4.6648 -4.6595 -4.6595 -4.1503 -4.1502 -3.7698 -3.7697 -1.0661 -1.0654 -1.0616 -1.0615 -1.0005 -0.9998 -0.6495 -0.6494 -0.6464 -0.6464 -0.0542 -0.0541 5.1043 5.1043 6.0857 6.0858 6.0866 6.0867 7.9908 7.9908 8.9444 8.9449 k = 0.0125 0.0125-0.0000 ( 5483 PWs) bands (ev): -20.6927 -20.6927 -20.5343 -20.5343 -17.1467 -17.1467 -17.1131 -17.1131 -15.9910 -15.9910 -15.9909 -15.9909 -9.8565 -9.8565 -9.3092 -9.3092 -8.3712 -8.3712 -7.6519 -7.6484 -7.6347 -7.6346 -7.6319 -7.6284 -6.0516 -6.0515 -6.0493 -6.0493 -4.6610 -4.6609 -4.6588 -4.6587 -4.1521 -4.1520 -3.7692 -3.7692 -1.0632 -1.0628 -1.0602 -1.0602 -1.0058 -1.0055 -0.6490 -0.6489 -0.6464 -0.6464 -0.0535 -0.0534 5.0993 5.0993 6.0868 6.0868 6.0877 6.0877 7.9876 7.9876 8.9645 8.9648 k = 0.0000 0.0000 0.0000 ( 5463 PWs) bands (ev): -20.6928 -20.6928 -20.5342 -20.5342 -17.1467 -17.1467 -17.1130 -17.1130 -15.9910 -15.9910 -15.9909 -15.9909 -9.8568 -9.8568 -9.3087 -9.3087 -8.3714 -8.3714 -7.6456 -7.6456 -7.6347 -7.6347 -7.6337 -7.6337 -6.0519 -6.0519 -6.0508 -6.0508 -4.6600 -4.6600 -4.6582 -4.6582 -4.1527 -4.1527 -3.7690 -3.7690 -1.0622 -1.0622 -1.0595 -1.0595 -1.0076 -1.0076 -0.6488 -0.6488 -0.6464 -0.6464 -0.0532 -0.0532 5.0976 5.0976 6.0872 6.0872 6.0880 6.0880 7.9865 7.9865 8.9717 8.9717 k = 0.0000 0.0000 0.0000 ( 5463 PWs) bands (ev): -20.6928 -20.6928 -20.5342 -20.5342 -17.1467 -17.1467 -17.1130 -17.1130 -15.9910 -15.9910 -15.9909 -15.9909 -9.8568 -9.8568 -9.3087 -9.3087 -8.3714 -8.3714 -7.6456 -7.6456 -7.6347 -7.6347 -7.6337 -7.6337 -6.0519 -6.0519 -6.0508 -6.0508 -4.6600 -4.6600 -4.6582 -4.6582 -4.1527 -4.1527 -3.7690 -3.7690 -1.0622 -1.0622 -1.0595 -1.0595 -1.0076 -1.0076 -0.6488 -0.6488 -0.6464 -0.6464 -0.0532 -0.0532 5.0976 5.0976 6.0872 6.0872 6.0880 6.0880 7.9865 7.9865 8.9717 8.9717 k = 0.0000 0.0000 0.0176 ( 5479 PWs) bands (ev): -20.6926 -20.6926 -20.5340 -20.5340 -17.1489 -17.1489 -17.1119 -17.1119 -15.9909 -15.9909 -15.9909 -15.9909 -9.8560 -9.8560 -9.3084 -9.3084 -8.3698 -8.3698 -7.6448 -7.6448 -7.6353 -7.6353 -7.6342 -7.6342 -6.0518 -6.0518 -6.0507 -6.0507 -4.6599 -4.6599 -4.6582 -4.6582 -4.1548 -4.1548 -3.7714 -3.7714 -1.0613 -1.0613 -1.0585 -1.0585 -1.0073 -1.0073 -0.6491 -0.6491 -0.6466 -0.6466 -0.0535 -0.0535 5.0996 5.0996 6.0881 6.0881 6.0889 6.0889 7.9882 7.9882 8.9717 8.9717 k = 0.0000 0.0000 0.0353 ( 5479 PWs) bands (ev): -20.6920 -20.6920 -20.5336 -20.5336 -17.1547 -17.1547 -17.1093 -17.1093 -15.9908 -15.9908 -15.9907 -15.9907 -9.8535 -9.8535 -9.3076 -9.3076 -8.3649 -8.3649 -7.6428 -7.6428 -7.6370 -7.6370 -7.6353 -7.6353 -6.0514 -6.0514 -6.0503 -6.0503 -4.6598 -4.6598 -4.6580 -4.6580 -4.1611 -4.1611 -3.7784 -3.7784 -1.0584 -1.0584 -1.0554 -1.0554 -1.0062 -1.0062 -0.6500 -0.6500 -0.6472 -0.6472 -0.0545 -0.0545 5.1057 5.1057 6.0908 6.0908 6.0916 6.0916 7.9933 7.9933 8.9716 8.9716 k = 0.0000 0.0000 0.0529 ( 5487 PWs) bands (ev): -20.6909 -20.6909 -20.5329 -20.5329 -17.1630 -17.1630 -17.1063 -17.1063 -15.9905 -15.9905 -15.9904 -15.9904 -9.8494 -9.8494 -9.3063 -9.3063 -8.3566 -8.3566 -7.6417 -7.6417 -7.6399 -7.6399 -7.6347 -7.6347 -6.0508 -6.0508 -6.0497 -6.0497 -4.6597 -4.6597 -4.6579 -4.6579 -4.1715 -4.1715 -3.7901 -3.7901 -1.0538 -1.0538 -1.0503 -1.0503 -1.0044 -1.0044 -0.6514 -0.6514 -0.6483 -0.6483 -0.0560 -0.0560 5.1158 5.1158 6.0952 6.0952 6.0961 6.0961 8.0016 8.0016 8.9715 8.9715 k = 0.0000 0.0000 0.0706 ( 5515 PWs) bands (ev): -20.6894 -20.6894 -20.5320 -20.5320 -17.1730 -17.1730 -17.1037 -17.1037 -15.9901 -15.9901 -15.9901 -15.9901 -9.8437 -9.8437 -9.3045 -9.3045 -8.3451 -8.3451 -7.6445 -7.6445 -7.6440 -7.6440 -7.6296 -7.6296 -6.0498 -6.0498 -6.0487 -6.0487 -4.6594 -4.6594 -4.6576 -4.6576 -4.1860 -4.1860 -3.8063 -3.8063 -1.0473 -1.0473 -1.0433 -1.0433 -1.0019 -1.0019 -0.6533 -0.6533 -0.6497 -0.6497 -0.0582 -0.0582 5.1298 5.1298 6.1014 6.1014 6.1022 6.1022 8.0128 8.0128 8.9714 8.9714 k = 0.0000 0.0000 0.0882 ( 5499 PWs) bands (ev): -20.6875 -20.6875 -20.5307 -20.5307 -17.1843 -17.1843 -17.1017 -17.1017 -15.9896 -15.9896 -15.9896 -15.9896 -9.8363 -9.8363 -9.3022 -9.3022 -8.3303 -8.3303 -7.6493 -7.6493 -7.6491 -7.6491 -7.6218 -7.6218 -6.0486 -6.0486 -6.0475 -6.0475 -4.6592 -4.6592 -4.6573 -4.6573 -4.2046 -4.2046 -3.8271 -3.8271 -1.0391 -1.0391 -1.0345 -1.0345 -0.9987 -0.9987 -0.6556 -0.6556 -0.6514 -0.6514 -0.0610 -0.0610 5.1477 5.1477 6.1093 6.1093 6.1100 6.1100 8.0265 8.0265 8.9712 8.9712 k = 0.0000 0.0000 0.1059 ( 5523 PWs) bands (ev): -20.6852 -20.6852 -20.5292 -20.5292 -17.1967 -17.1967 -17.1006 -17.1006 -15.9890 -15.9890 -15.9890 -15.9890 -9.8276 -9.8276 -9.2997 -9.2997 -8.3123 -8.3123 -7.6554 -7.6554 -7.6552 -7.6552 -7.6119 -7.6119 -6.0472 -6.0472 -6.0460 -6.0460 -4.6589 -4.6589 -4.6570 -4.6570 -4.2270 -4.2270 -3.8523 -3.8523 -1.0294 -1.0294 -1.0240 -1.0240 -0.9948 -0.9948 -0.6581 -0.6581 -0.6533 -0.6533 -0.0644 -0.0644 5.1693 5.1693 6.1187 6.1187 6.1195 6.1195 8.0423 8.0423 8.9710 8.9710 k = 0.0000 0.0000 0.1235 ( 5503 PWs) bands (ev): -20.6825 -20.6825 -20.5275 -20.5275 -17.2100 -17.2100 -17.1002 -17.1002 -15.9883 -15.9883 -15.9883 -15.9883 -9.8173 -9.8173 -9.2968 -9.2968 -8.2909 -8.2909 -7.6624 -7.6624 -7.6623 -7.6623 -7.6002 -7.6002 -6.0454 -6.0454 -6.0443 -6.0443 -4.6587 -4.6587 -4.6567 -4.6567 -4.2533 -4.2533 -3.8816 -3.8816 -1.0182 -1.0182 -1.0121 -1.0121 -0.9902 -0.9902 -0.6608 -0.6608 -0.6553 -0.6553 -0.0684 -0.0684 5.1946 5.1946 6.1297 6.1297 6.1304 6.1304 8.0594 8.0594 8.9708 8.9708 k = 0.0000 0.0000 0.1412 ( 5507 PWs) bands (ev): -20.6795 -20.6795 -20.5255 -20.5255 -17.2241 -17.2241 -17.1008 -17.1008 -15.9876 -15.9876 -15.9875 -15.9875 -9.8058 -9.8058 -9.2937 -9.2937 -8.2663 -8.2663 -7.6704 -7.6704 -7.6704 -7.6704 -7.5866 -7.5866 -6.0433 -6.0433 -6.0422 -6.0422 -4.6585 -4.6585 -4.6565 -4.6565 -4.2831 -4.2831 -3.9151 -3.9151 -1.0059 -1.0059 -0.9989 -0.9989 -0.9849 -0.9849 -0.6635 -0.6635 -0.6572 -0.6572 -0.0730 -0.0730 5.2233 5.2233 6.1421 6.1421 6.1428 6.1428 8.0770 8.0770 8.9705 8.9705 k = 0.0000 0.0000 0.1588 ( 5507 PWs) bands (ev): -20.6761 -20.6761 -20.5233 -20.5233 -17.2390 -17.2390 -17.1023 -17.1023 -15.9867 -15.9867 -15.9866 -15.9866 -9.7931 -9.7931 -9.2905 -9.2905 -8.2386 -8.2386 -7.6792 -7.6792 -7.6792 -7.6792 -7.5711 -7.5711 -6.0410 -6.0410 -6.0399 -6.0399 -4.6583 -4.6583 -4.6563 -4.6563 -4.3165 -4.3165 -3.9525 -3.9525 -0.9927 -0.9927 -0.9849 -0.9849 -0.9790 -0.9790 -0.6660 -0.6660 -0.6588 -0.6588 -0.0781 -0.0781 5.2554 5.2554 6.1558 6.1558 6.1564 6.1564 8.0938 8.0938 8.9703 8.9703 k = 0.0000 0.0000 0.1765 ( 5499 PWs) bands (ev): -20.6724 -20.6724 -20.5209 -20.5209 -17.2544 -17.2544 -17.1046 -17.1046 -15.9858 -15.9858 -15.9857 -15.9857 -9.7792 -9.7792 -9.2871 -9.2871 -8.2078 -8.2078 -7.6888 -7.6888 -7.6888 -7.6888 -7.5539 -7.5539 -6.0384 -6.0384 -6.0373 -6.0373 -4.6583 -4.6583 -4.6562 -4.6562 -4.3531 -4.3531 -3.9936 -3.9936 -0.9790 -0.9790 -0.9730 -0.9730 -0.9696 -0.9696 -0.6680 -0.6680 -0.6599 -0.6599 -0.0837 -0.0837 5.2905 5.2905 6.1706 6.1706 6.1713 6.1713 8.1088 8.1088 8.9700 8.9700 k = 0.0000 0.0000 0.1941 ( 5503 PWs) bands (ev): -20.6685 -20.6685 -20.5184 -20.5184 -17.2703 -17.2703 -17.1076 -17.1076 -15.9847 -15.9847 -15.9847 -15.9847 -9.7644 -9.7644 -9.2838 -9.2838 -8.1739 -8.1739 -7.6991 -7.6991 -7.6991 -7.6991 -7.5349 -7.5349 -6.0355 -6.0355 -6.0344 -6.0344 -4.6583 -4.6583 -4.6562 -4.6562 -4.3928 -4.3928 -4.0382 -4.0382 -0.9660 -0.9660 -0.9648 -0.9648 -0.9548 -0.9548 -0.6692 -0.6692 -0.6601 -0.6601 -0.0899 -0.0899 5.3287 5.3287 6.1866 6.1866 6.1872 6.1872 8.1201 8.1201 8.9698 8.9698 k = 0.0000 0.0000 0.2118 ( 5491 PWs) bands (ev): -20.6642 -20.6642 -20.5156 -20.5156 -17.2866 -17.2866 -17.1114 -17.1114 -15.9836 -15.9836 -15.9836 -15.9836 -9.7486 -9.7486 -9.2806 -9.2806 -8.1370 -8.1370 -7.7099 -7.7099 -7.7099 -7.7099 -7.5141 -7.5141 -6.0323 -6.0323 -6.0312 -6.0312 -4.6585 -4.6585 -4.6563 -4.6563 -4.4353 -4.4353 -4.0861 -4.0861 -0.9582 -0.9582 -0.9513 -0.9513 -0.9400 -0.9400 -0.6693 -0.6693 -0.6591 -0.6591 -0.0965 -0.0965 5.3695 5.3695 6.2034 6.2034 6.2040 6.2040 8.1263 8.1263 8.9696 8.9696 k = 0.0000 0.0000 0.2294 ( 5491 PWs) bands (ev): -20.6597 -20.6597 -20.5128 -20.5128 -17.3032 -17.3032 -17.1158 -17.1158 -15.9825 -15.9825 -15.9825 -15.9825 -9.7322 -9.7322 -9.2775 -9.2775 -8.0974 -8.0974 -7.7213 -7.7213 -7.7212 -7.7212 -7.4916 -7.4916 -6.0289 -6.0289 -6.0279 -6.0279 -4.6589 -4.6589 -4.6566 -4.6566 -4.4805 -4.4805 -4.1371 -4.1371 -0.9501 -0.9501 -0.9383 -0.9383 -0.9259 -0.9259 -0.6679 -0.6679 -0.6566 -0.6566 -0.1036 -0.1036 5.4129 5.4129 6.2210 6.2210 6.2216 6.2216 8.1254 8.1254 8.9694 8.9820 k = 0.0000 0.0000 0.2471 ( 5483 PWs) bands (ev): -20.6551 -20.6551 -20.5098 -20.5098 -17.3199 -17.3199 -17.1208 -17.1208 -15.9814 -15.9814 -15.9813 -15.9813 -9.7151 -9.7151 -9.2746 -9.2746 -8.0550 -8.0550 -7.7329 -7.7329 -7.7329 -7.7329 -7.4675 -7.4675 -6.0253 -6.0253 -6.0242 -6.0242 -4.6594 -4.6594 -4.6571 -4.6571 -4.5279 -4.5279 -4.1908 -4.1908 -0.9416 -0.9416 -0.9265 -0.9265 -0.9131 -0.9131 -0.6645 -0.6645 -0.6523 -0.6523 -0.1111 -0.1111 5.4586 5.4586 6.2393 6.2393 6.2397 6.2397 8.1161 8.1161 8.9602 8.9602 k = 0.0000 0.0000 0.2647 ( 5475 PWs) bands (ev): -20.6502 -20.6502 -20.5068 -20.5068 -17.3367 -17.3367 -17.1263 -17.1263 -15.9802 -15.9802 -15.9801 -15.9801 -9.6976 -9.6976 -9.2719 -9.2719 -8.0101 -8.0101 -7.7449 -7.7449 -7.7448 -7.7448 -7.4418 -7.4418 -6.0214 -6.0214 -6.0204 -6.0204 -4.6601 -4.6601 -4.6578 -4.6578 -4.5774 -4.5774 -4.2470 -4.2470 -0.9327 -0.9327 -0.9163 -0.9163 -0.9020 -0.9020 -0.6587 -0.6587 -0.6458 -0.6458 -0.1190 -0.1190 5.5064 5.5064 6.2579 6.2579 6.2584 6.2584 8.0973 8.0973 8.9292 8.9293 k = 0.0000 0.0000 0.2824 ( 5467 PWs) bands (ev): -20.6453 -20.6453 -20.5037 -20.5037 -17.3535 -17.3535 -17.1322 -17.1322 -15.9789 -15.9789 -15.9789 -15.9789 -9.6797 -9.6797 -9.2695 -9.2695 -7.9629 -7.9629 -7.7570 -7.7570 -7.7569 -7.7569 -7.4146 -7.4146 -6.0174 -6.0174 -6.0164 -6.0164 -4.6610 -4.6610 -4.6587 -4.6587 -4.6285 -4.6285 -4.3054 -4.3054 -0.9235 -0.9235 -0.9079 -0.9079 -0.8932 -0.8932 -0.6503 -0.6503 -0.6370 -0.6370 -0.1272 -0.1272 5.5560 5.5560 6.2769 6.2769 6.2773 6.2773 8.0687 8.0687 8.9020 8.9020 k = 0.0000 0.0000 0.3000 ( 5479 PWs) bands (ev): -20.6403 -20.6403 -20.5006 -20.5006 -17.3701 -17.3701 -17.1384 -17.1384 -15.9777 -15.9777 -15.9777 -15.9777 -9.6617 -9.6617 -9.2674 -9.2674 -7.9136 -7.9136 -7.7691 -7.7691 -7.7691 -7.7691 -7.3862 -7.3862 -6.0132 -6.0132 -6.0122 -6.0122 -4.6816 -4.6816 -4.6620 -4.6620 -4.6592 -4.6592 -4.3658 -4.3658 -0.9140 -0.9140 -0.9016 -0.9016 -0.8867 -0.8867 -0.6392 -0.6392 -0.6258 -0.6258 -0.1357 -0.1357 5.6072 5.6072 6.2960 6.2960 6.2963 6.2963 8.0309 8.0309 8.8776 8.8776 k = 0.0000 0.0000 0.3177 ( 5483 PWs) bands (ev): -20.6352 -20.6352 -20.4975 -20.4975 -17.3865 -17.3865 -17.1448 -17.1448 -15.9765 -15.9765 -15.9764 -15.9764 -9.6436 -9.6436 -9.2656 -9.2656 -7.8624 -7.8624 -7.7812 -7.7812 -7.7812 -7.7812 -7.3566 -7.3566 -6.0089 -6.0089 -6.0080 -6.0080 -4.7351 -4.7351 -4.6632 -4.6632 -4.6606 -4.6606 -4.4277 -4.4277 -0.9042 -0.9042 -0.8973 -0.8973 -0.8825 -0.8825 -0.6256 -0.6256 -0.6124 -0.6124 -0.1445 -0.1445 5.6599 5.6599 6.3150 6.3150 6.3153 6.3153 7.9851 7.9851 8.8548 8.8548 k = 0.0000 0.0000 0.3353 ( 5471 PWs) bands (ev): -20.6301 -20.6301 -20.4944 -20.4944 -17.4025 -17.4025 -17.1514 -17.1514 -15.9752 -15.9752 -15.9752 -15.9752 -9.6257 -9.6257 -9.2641 -9.2641 -7.8097 -7.8097 -7.7932 -7.7932 -7.7928 -7.7928 -7.3260 -7.3260 -6.0045 -6.0045 -6.0036 -6.0036 -4.7893 -4.7893 -4.6646 -4.6646 -4.6619 -4.6619 -4.4908 -4.4908 -0.8951 -0.8951 -0.8942 -0.8942 -0.8804 -0.8804 -0.6100 -0.6100 -0.5972 -0.5972 -0.1534 -0.1534 5.7136 5.7136 6.3338 6.3338 6.3341 6.3341 7.9328 7.9328 8.8328 8.8328 k = 0.0000 0.0000 0.3530 ( 5471 PWs) bands (ev): -20.6251 -20.6251 -20.4914 -20.4914 -17.4181 -17.4181 -17.1581 -17.1581 -15.9740 -15.9740 -15.9740 -15.9740 -9.6080 -9.6080 -9.2630 -9.2630 -7.8050 -7.8050 -7.8048 -7.8048 -7.7550 -7.7550 -7.2948 -7.2948 -6.0001 -6.0001 -5.9992 -5.9992 -4.8437 -4.8437 -4.6662 -4.6662 -4.6634 -4.6634 -4.5548 -4.5548 -0.8941 -0.8941 -0.8844 -0.8844 -0.8800 -0.8800 -0.5928 -0.5928 -0.5806 -0.5806 -0.1623 -0.1623 5.7683 5.7683 6.3523 6.3523 6.3525 6.3525 7.8755 7.8755 8.8108 8.8108 k = 0.0000 0.0000 0.3706 ( 5500 PWs) bands (ev): -20.6202 -20.6202 -20.4885 -20.4885 -17.4331 -17.4331 -17.1648 -17.1648 -15.9729 -15.9729 -15.9728 -15.9728 -9.5907 -9.5907 -9.2623 -9.2623 -7.8163 -7.8163 -7.8162 -7.8162 -7.6998 -7.6998 -7.2632 -7.2632 -5.9958 -5.9958 -5.9948 -5.9948 -4.8978 -4.8978 -4.6680 -4.6680 -4.6649 -4.6649 -4.6192 -4.6192 -0.8945 -0.8945 -0.8813 -0.8813 -0.8742 -0.8742 -0.5745 -0.5745 -0.5630 -0.5630 -0.1714 -0.1714 5.8235 5.8235 6.3702 6.3702 6.3704 6.3704 7.8146 7.8146 8.7888 8.7888 k = 0.0000 0.0000 0.3882 ( 5512 PWs) bands (ev): -20.6154 -20.6154 -20.4856 -20.4856 -17.4474 -17.4474 -17.1713 -17.1713 -15.9717 -15.9717 -15.9717 -15.9717 -9.5739 -9.5739 -9.2619 -9.2619 -7.8272 -7.8272 -7.8271 -7.8271 -7.6438 -7.6438 -7.2317 -7.2317 -5.9914 -5.9914 -5.9905 -5.9905 -4.9510 -4.9510 -4.6852 -4.6852 -4.6683 -4.6683 -4.6665 -4.6665 -0.8960 -0.8960 -0.8833 -0.8833 -0.8643 -0.8643 -0.5557 -0.5557 -0.5449 -0.5449 -0.1804 -0.1804 5.8791 5.8791 6.3875 6.3875 6.3876 6.3876 7.7515 7.7515 8.7668 8.7668 k = 0.0000 0.0000 0.4059 ( 5508 PWs) bands (ev): -20.6108 -20.6108 -20.4829 -20.4829 -17.4609 -17.4609 -17.1777 -17.1777 -15.9707 -15.9707 -15.9706 -15.9706 -9.5578 -9.5578 -9.2618 -9.2618 -7.8376 -7.8376 -7.8375 -7.8375 -7.5874 -7.5874 -7.2006 -7.2006 -5.9872 -5.9872 -5.9863 -5.9863 -5.0028 -5.0028 -4.7486 -4.7486 -4.6709 -4.6709 -4.6683 -4.6683 -0.8981 -0.8981 -0.8860 -0.8860 -0.8546 -0.8546 -0.5368 -0.5368 -0.5267 -0.5267 -0.1892 -0.1892 5.9348 5.9348 6.4039 6.4039 6.4040 6.4040 7.6873 7.6873 8.7452 8.7452 k = 0.0000 0.0000 0.4235 ( 5508 PWs) bands (ev): -20.6064 -20.6064 -20.4803 -20.4803 -17.4736 -17.4736 -17.1838 -17.1838 -15.9696 -15.9696 -15.9696 -15.9696 -9.5424 -9.5424 -9.2620 -9.2620 -7.8473 -7.8473 -7.8473 -7.8473 -7.5311 -7.5311 -7.1705 -7.1705 -5.9831 -5.9831 -5.9823 -5.9823 -5.0525 -5.0525 -4.8119 -4.8119 -4.6727 -4.6727 -4.6700 -4.6700 -0.9007 -0.9007 -0.8891 -0.8891 -0.8452 -0.8452 -0.5183 -0.5183 -0.5088 -0.5088 -0.1978 -0.1978 5.9901 5.9901 6.4193 6.4193 6.4195 6.4195 7.6229 7.6229 8.7243 8.7243 k = 0.0000 0.0000 0.4412 ( 5512 PWs) bands (ev): -20.6023 -20.6023 -20.4780 -20.4780 -17.4854 -17.4854 -17.1895 -17.1895 -15.9687 -15.9687 -15.9686 -15.9686 -9.5279 -9.5279 -9.2625 -9.2625 -7.8564 -7.8564 -7.8563 -7.8563 -7.4755 -7.4755 -7.1419 -7.1419 -5.9793 -5.9793 -5.9784 -5.9784 -5.0993 -5.0993 -4.8739 -4.8739 -4.6745 -4.6745 -4.6717 -4.6717 -0.9036 -0.9036 -0.8925 -0.8925 -0.8362 -0.8362 -0.5005 -0.5005 -0.4916 -0.4916 -0.2061 -0.2061 6.0447 6.0447 6.4337 6.4337 6.4339 6.4339 7.5592 7.5592 8.7045 8.7045 k = 0.0000 0.0000 0.4588 ( 5520 PWs) bands (ev): -20.5985 -20.5985 -20.4758 -20.4758 -17.4961 -17.4961 -17.1949 -17.1949 -15.9678 -15.9678 -15.9678 -15.9678 -9.5144 -9.5144 -9.2633 -9.2633 -7.8647 -7.8647 -7.8647 -7.8647 -7.4209 -7.4209 -7.1156 -7.1156 -5.9756 -5.9756 -5.9748 -5.9748 -5.1426 -5.1426 -4.9339 -4.9339 -4.6762 -4.6762 -4.6733 -4.6733 -0.9065 -0.9065 -0.8959 -0.8959 -0.8276 -0.8276 -0.4838 -0.4838 -0.4755 -0.4755 -0.2139 -0.2139 6.0981 6.0981 6.4469 6.4469 6.4471 6.4471 7.4971 7.4971 8.6861 8.6861 k = 0.0000 0.0000 0.4765 ( 5520 PWs) bands (ev): -20.5950 -20.5950 -20.4738 -20.4738 -17.5058 -17.5058 -17.1998 -17.1998 -15.9670 -15.9670 -15.9670 -15.9670 -9.5021 -9.5021 -9.2642 -9.2642 -7.8722 -7.8722 -7.8722 -7.8722 -7.3680 -7.3680 -7.0922 -7.0922 -5.9723 -5.9723 -5.9716 -5.9716 -5.1815 -5.1815 -4.9914 -4.9914 -4.6778 -4.6778 -4.6749 -4.6749 -0.9093 -0.9093 -0.8991 -0.8991 -0.8197 -0.8197 -0.4684 -0.4684 -0.4605 -0.4605 -0.2212 -0.2212 6.1498 6.1498 6.4588 6.4588 6.4590 6.4590 7.4374 7.4374 8.6694 8.6694 k = 0.0000 0.0000 0.4941 ( 5524 PWs) bands (ev): -20.5919 -20.5919 -20.4721 -20.4721 -17.5143 -17.5143 -17.2041 -17.2041 -15.9663 -15.9663 -15.9663 -15.9663 -9.4910 -9.4910 -9.2653 -9.2653 -7.8788 -7.8788 -7.8788 -7.8788 -7.3175 -7.3175 -7.0725 -7.0725 -5.9694 -5.9694 -5.9686 -5.9686 -5.2151 -5.2151 -5.0457 -5.0457 -4.6792 -4.6792 -4.6763 -4.6763 -0.9120 -0.9120 -0.9022 -0.9022 -0.8126 -0.8126 -0.4546 -0.4546 -0.4471 -0.4471 -0.2278 -0.2278 6.1989 6.1989 6.4693 6.4693 6.4695 6.4695 7.3811 7.3811 8.6545 8.6545 k = 0.0000 0.0000 0.5118 ( 5540 PWs) bands (ev): -20.5892 -20.5892 -20.4706 -20.4706 -17.5216 -17.5216 -17.2079 -17.2079 -15.9657 -15.9657 -15.9657 -15.9657 -9.4813 -9.4813 -9.2665 -9.2665 -7.8845 -7.8845 -7.8845 -7.8845 -7.2702 -7.2702 -7.0571 -7.0571 -5.9668 -5.9668 -5.9661 -5.9661 -5.2427 -5.2427 -5.0960 -5.0960 -4.6805 -4.6805 -4.6776 -4.6776 -0.9145 -0.9145 -0.9049 -0.9049 -0.8063 -0.8063 -0.4426 -0.4426 -0.4355 -0.4355 -0.2336 -0.2336 6.2445 6.2445 6.4783 6.4783 6.4785 6.4785 7.3291 7.3291 8.6417 8.6417 k = 0.0000 0.0000 0.5294 ( 5548 PWs) bands (ev): -20.5870 -20.5870 -20.4693 -20.4693 -17.5276 -17.5276 -17.2110 -17.2110 -15.9652 -15.9652 -15.9652 -15.9652 -9.4732 -9.4732 -9.2676 -9.2676 -7.8893 -7.8893 -7.8892 -7.8892 -7.2268 -7.2268 -7.0466 -7.0466 -5.9647 -5.9647 -5.9640 -5.9640 -5.2635 -5.2635 -5.1415 -5.1415 -4.6816 -4.6816 -4.6787 -4.6787 -0.9165 -0.9165 -0.9072 -0.9072 -0.8009 -0.8009 -0.4325 -0.4325 -0.4257 -0.4257 -0.2385 -0.2385 6.2854 6.2854 6.4857 6.4857 6.4859 6.4859 7.2830 7.2830 8.6311 8.6311 k = 0.0000 0.0000 0.5471 ( 5552 PWs) bands (ev): -20.5853 -20.5853 -20.4684 -20.4684 -17.5324 -17.5324 -17.2135 -17.2135 -15.9648 -15.9648 -15.9648 -15.9648 -9.4667 -9.4667 -9.2685 -9.2685 -7.8930 -7.8930 -7.8929 -7.8929 -7.1887 -7.1887 -7.0412 -7.0412 -5.9629 -5.9629 -5.9622 -5.9622 -5.2770 -5.2770 -5.1814 -5.1814 -4.6825 -4.6825 -4.6796 -4.6796 -0.9182 -0.9182 -0.9090 -0.9090 -0.7967 -0.7967 -0.4245 -0.4245 -0.4179 -0.4179 -0.2425 -0.2425 6.3200 6.3200 6.4916 6.4916 6.4918 6.4918 7.2443 7.2443 8.6227 8.6227 k = 0.0000 0.0000 0.5647 ( 5560 PWs) bands (ev): -20.5840 -20.5840 -20.4677 -20.4677 -17.5358 -17.5358 -17.2153 -17.2153 -15.9645 -15.9645 -15.9645 -15.9645 -9.4620 -9.4620 -9.2693 -9.2693 -7.8956 -7.8956 -7.8955 -7.8955 -7.1574 -7.1574 -7.0405 -7.0405 -5.9617 -5.9617 -5.9610 -5.9610 -5.2829 -5.2829 -5.2146 -5.2146 -4.6832 -4.6832 -4.6802 -4.6802 -0.9194 -0.9194 -0.9104 -0.9104 -0.7935 -0.7935 -0.4187 -0.4187 -0.4123 -0.4123 -0.2453 -0.2453 6.3466 6.3466 6.4958 6.4958 6.4960 6.4960 7.2147 7.2147 8.6167 8.6167 k = 0.0000 0.0000 0.5824 ( 5572 PWs) bands (ev): -20.5832 -20.5832 -20.4672 -20.4672 -17.5379 -17.5379 -17.2164 -17.2164 -15.9644 -15.9644 -15.9643 -15.9643 -9.4591 -9.4591 -9.2698 -9.2698 -7.8972 -7.8972 -7.8972 -7.8972 -7.1355 -7.1355 -7.0428 -7.0428 -5.9610 -5.9610 -5.9603 -5.9603 -5.2820 -5.2820 -5.2393 -5.2393 -4.6836 -4.6836 -4.6806 -4.6806 -0.9202 -0.9202 -0.9112 -0.9112 -0.7916 -0.7916 -0.4152 -0.4152 -0.4089 -0.4089 -0.2471 -0.2471 6.3635 6.3635 6.4984 6.4984 6.4986 6.4986 7.1960 7.1960 8.6131 8.6131 k = 0.0000 0.0000 0.6000 ( 5572 PWs) bands (ev): -20.5830 -20.5830 -20.4671 -20.4671 -17.5386 -17.5386 -17.2168 -17.2168 -15.9643 -15.9643 -15.9643 -15.9643 -9.4581 -9.4581 -9.2700 -9.2700 -7.8978 -7.8978 -7.8977 -7.8977 -7.1273 -7.1273 -7.0444 -7.0444 -5.9607 -5.9607 -5.9600 -5.9600 -5.2792 -5.2792 -5.2501 -5.2501 -4.6837 -4.6837 -4.6807 -4.6807 -0.9204 -0.9204 -0.9115 -0.9115 -0.7910 -0.7910 -0.4141 -0.4141 -0.4078 -0.4078 -0.2477 -0.2477 6.3693 6.3693 6.4992 6.4992 6.4994 6.4994 7.1896 7.1896 8.6119 8.6119 k = 0.0000 0.0000 0.6000 ( 5572 PWs) bands (ev): -20.5830 -20.5830 -20.4671 -20.4671 -17.5386 -17.5386 -17.2168 -17.2168 -15.9643 -15.9643 -15.9643 -15.9643 -9.4581 -9.4581 -9.2700 -9.2700 -7.8978 -7.8978 -7.8977 -7.8977 -7.1273 -7.1273 -7.0444 -7.0444 -5.9607 -5.9607 -5.9600 -5.9600 -5.2792 -5.2792 -5.2501 -5.2501 -4.6837 -4.6837 -4.6807 -4.6807 -0.9204 -0.9204 -0.9115 -0.9115 -0.7910 -0.7910 -0.4141 -0.4141 -0.4078 -0.4078 -0.2477 -0.2477 6.3693 6.3693 6.4992 6.4992 6.4994 6.4994 7.1896 7.1896 8.6119 8.6119 k = 0.0000 0.0179 0.6000 ( 5568 PWs) bands (ev): -20.5829 -20.5829 -20.4672 -20.4672 -17.5383 -17.5383 -17.2170 -17.2170 -15.9643 -15.9643 -15.9643 -15.9642 -9.4580 -9.4580 -9.2702 -9.2702 -7.8978 -7.8978 -7.8977 -7.8977 -7.1274 -7.1274 -7.0446 -7.0445 -5.9610 -5.9609 -5.9602 -5.9601 -5.2789 -5.2786 -5.2492 -5.2490 -4.6839 -4.6839 -4.6810 -4.6808 -0.9212 -0.9212 -0.9124 -0.9122 -0.7897 -0.7894 -0.4143 -0.4142 -0.4080 -0.4078 -0.2475 -0.2473 6.3695 6.3699 6.4983 6.4984 6.5001 6.5005 7.1912 7.1915 8.6131 8.6131 k = 0.0000 0.0357 0.6000 ( 5564 PWs) bands (ev): -20.5826 -20.5826 -20.4675 -20.4675 -17.5376 -17.5376 -17.2179 -17.2179 -15.9642 -15.9642 -15.9641 -15.9641 -9.4577 -9.4577 -9.2707 -9.2707 -7.8979 -7.8979 -7.8978 -7.8977 -7.1277 -7.1277 -7.0453 -7.0451 -5.9619 -5.9619 -5.9605 -5.9602 -5.2778 -5.2771 -5.2462 -5.2458 -4.6847 -4.6846 -4.6817 -4.6813 -0.9235 -0.9235 -0.9146 -0.9142 -0.7857 -0.7851 -0.4148 -0.4147 -0.4084 -0.4081 -0.2467 -0.2463 6.3707 6.3715 6.4953 6.4956 6.5027 6.5035 7.1963 7.1968 8.6165 8.6166 k = 0.0000 0.0536 0.6000 ( 5560 PWs) bands (ev): -20.5822 -20.5822 -20.4679 -20.4679 -17.5365 -17.5365 -17.2193 -17.2193 -15.9640 -15.9640 -15.9640 -15.9640 -9.4572 -9.4572 -9.2717 -9.2716 -7.8980 -7.8980 -7.8979 -7.8978 -7.1282 -7.1281 -7.0464 -7.0461 -5.9637 -5.9634 -5.9609 -5.9602 -5.2758 -5.2747 -5.2412 -5.2407 -4.6862 -4.6861 -4.6825 -4.6818 -0.9276 -0.9275 -0.9177 -0.9173 -0.7792 -0.7784 -0.4159 -0.4159 -0.4088 -0.4085 -0.2453 -0.2447 6.3726 6.3738 6.4906 6.4910 6.5074 6.5086 7.2048 7.2054 8.6220 8.6222 k = 0.0000 0.0714 0.6000 ( 5548 PWs) bands (ev): -20.5815 -20.5815 -20.4686 -20.4685 -17.5349 -17.5349 -17.2213 -17.2213 -15.9638 -15.9638 -15.9637 -15.9637 -9.4565 -9.4565 -9.2729 -9.2729 -7.8982 -7.8981 -7.8980 -7.8979 -7.1288 -7.1288 -7.0478 -7.0475 -5.9661 -5.9656 -5.9613 -5.9604 -5.2729 -5.2715 -5.2342 -5.2336 -4.6885 -4.6884 -4.6833 -4.6825 -0.9333 -0.9331 -0.9214 -0.9209 -0.7708 -0.7698 -0.4178 -0.4176 -0.4088 -0.4087 -0.2434 -0.2426 6.3750 6.3765 6.4843 6.4848 6.5143 6.5159 7.2163 7.2171 8.6294 8.6297 k = 0.0000 0.0893 0.6000 ( 5556 PWs) bands (ev): -20.5807 -20.5807 -20.4694 -20.4694 -17.5329 -17.5329 -17.2239 -17.2238 -15.9636 -15.9636 -15.9634 -15.9634 -9.4557 -9.4556 -9.2746 -9.2745 -7.8984 -7.8984 -7.8981 -7.8980 -7.1296 -7.1296 -7.0497 -7.0494 -5.9690 -5.9683 -5.9618 -5.9606 -5.2692 -5.2674 -5.2255 -5.2248 -4.6916 -4.6915 -4.6842 -4.6832 -0.9401 -0.9399 -0.9256 -0.9251 -0.7608 -0.7597 -0.4205 -0.4201 -0.4087 -0.4085 -0.2411 -0.2402 6.3777 6.3795 6.4766 6.4773 6.5238 6.5256 7.2306 7.2317 8.6382 8.6385 k = 0.0000 0.1071 0.6000 ( 5540 PWs) bands (ev): -20.5797 -20.5797 -20.4704 -20.4703 -17.5304 -17.5304 -17.2269 -17.2269 -15.9633 -15.9633 -15.9630 -15.9630 -9.4545 -9.4544 -9.2766 -9.2765 -7.8986 -7.8986 -7.8983 -7.8981 -7.1306 -7.1305 -7.0519 -7.0515 -5.9722 -5.9715 -5.9624 -5.9609 -5.2645 -5.2624 -5.2152 -5.2143 -4.6954 -4.6953 -4.6851 -4.6840 -0.9478 -0.9475 -0.9303 -0.9299 -0.7497 -0.7484 -0.4238 -0.4231 -0.4083 -0.4079 -0.2385 -0.2375 6.3803 6.3823 6.4679 6.4686 6.5361 6.5380 7.2475 7.2486 8.6474 8.6478 k = 0.0000 0.1250 0.6000 ( 5528 PWs) bands (ev): -20.5786 -20.5786 -20.4715 -20.4715 -17.5275 -17.5275 -17.2305 -17.2305 -15.9629 -15.9629 -15.9626 -15.9626 -9.4532 -9.4531 -9.2789 -9.2789 -7.8990 -7.8989 -7.8984 -7.8983 -7.1317 -7.1316 -7.0545 -7.0540 -5.9759 -5.9750 -5.9631 -5.9614 -5.2590 -5.2566 -5.2033 -5.2024 -4.7000 -4.6998 -4.6863 -4.6849 -0.9560 -0.9556 -0.9357 -0.9352 -0.7375 -0.7361 -0.4274 -0.4265 -0.4076 -0.4070 -0.2358 -0.2346 6.3827 6.3848 6.4584 6.4592 6.5513 6.5534 7.2664 7.2677 8.6557 8.6562 k = 0.0000 0.1429 0.6000 ( 5532 PWs) bands (ev): -20.5773 -20.5772 -20.4728 -20.4728 -17.5242 -17.5242 -17.2346 -17.2346 -15.9625 -15.9625 -15.9621 -15.9621 -9.4517 -9.4516 -9.2816 -9.2815 -7.8993 -7.8992 -7.8986 -7.8985 -7.1328 -7.1327 -7.0574 -7.0568 -5.9797 -5.9787 -5.9639 -5.9621 -5.2526 -5.2500 -5.1902 -5.1892 -4.7052 -4.7049 -4.6876 -4.6861 -0.9645 -0.9641 -0.9417 -0.9412 -0.7247 -0.7231 -0.4314 -0.4303 -0.4066 -0.4059 -0.2330 -0.2317 6.3847 6.3867 6.4484 6.4492 6.5696 6.5717 7.2871 7.2885 8.6609 8.6614 k = 0.0000 0.1607 0.6000 ( 5526 PWs) bands (ev): -20.5758 -20.5758 -20.4743 -20.4743 -17.5204 -17.5204 -17.2392 -17.2392 -15.9621 -15.9621 -15.9616 -15.9616 -9.4500 -9.4498 -9.2846 -9.2845 -7.8997 -7.8996 -7.8989 -7.8987 -7.1341 -7.1340 -7.0606 -7.0600 -5.9836 -5.9826 -5.9649 -5.9629 -5.2454 -5.2425 -5.1759 -5.1749 -4.7110 -4.7107 -4.6891 -4.6874 -0.9731 -0.9727 -0.9482 -0.9477 -0.7113 -0.7096 -0.4356 -0.4344 -0.4054 -0.4044 -0.2302 -0.2288 6.3861 6.3881 6.4381 6.4390 6.5910 6.5930 7.3092 7.3107 8.6600 8.6605 k = 0.0000 0.1786 0.6000 ( 5530 PWs) bands (ev): -20.5741 -20.5741 -20.4760 -20.4760 -17.5163 -17.5162 -17.2443 -17.2443 -15.9616 -15.9616 -15.9611 -15.9610 -9.4480 -9.4479 -9.2879 -9.2878 -7.9001 -7.9000 -7.8992 -7.8990 -7.1354 -7.1353 -7.0640 -7.0634 -5.9876 -5.9865 -5.9661 -5.9639 -5.2373 -5.2343 -5.1608 -5.1597 -4.7175 -4.7170 -4.6908 -4.6890 -0.9818 -0.9814 -0.9553 -0.9548 -0.6975 -0.6957 -0.4400 -0.4386 -0.4037 -0.4026 -0.2276 -0.2261 6.3870 6.3889 6.4278 6.4287 6.6154 6.6173 7.3322 7.3338 8.6509 8.6512 k = 0.0000 0.1964 0.6000 ( 5534 PWs) bands (ev): -20.5723 -20.5723 -20.4778 -20.4778 -17.5117 -17.5117 -17.2499 -17.2498 -15.9611 -15.9611 -15.9605 -15.9604 -9.4459 -9.4457 -9.2915 -9.2914 -7.9005 -7.9004 -7.8994 -7.8992 -7.1367 -7.1365 -7.0677 -7.0670 -5.9915 -5.9904 -5.9674 -5.9652 -5.2285 -5.2252 -5.1448 -5.1438 -4.7244 -4.7239 -4.6928 -4.6909 -0.9905 -0.9901 -0.9627 -0.9622 -0.6835 -0.6815 -0.4444 -0.4430 -0.4017 -0.4004 -0.2252 -0.2236 6.3873 6.3891 6.4177 6.4186 6.6427 6.6445 7.3558 7.3575 8.6337 8.6339 k = 0.0000 0.2143 0.6000 ( 5530 PWs) bands (ev): -20.5704 -20.5704 -20.4798 -20.4798 -17.5067 -17.5067 -17.2558 -17.2558 -15.9606 -15.9605 -15.9599 -15.9598 -9.4435 -9.4434 -9.2954 -9.2953 -7.9009 -7.9008 -7.8998 -7.8995 -7.1380 -7.1378 -7.0716 -7.0708 -5.9952 -5.9941 -5.9689 -5.9666 -5.2188 -5.2154 -5.1284 -5.1275 -4.7318 -4.7312 -4.6951 -4.6930 -0.9991 -0.9987 -0.9706 -0.9700 -0.6694 -0.6673 -0.4489 -0.4474 -0.3993 -0.3978 -0.2231 -0.2215 6.3871 6.3888 6.4079 6.4088 6.6727 6.6744 7.3796 7.3813 8.6104 8.6106 k = 0.0000 0.2321 0.6000 ( 5518 PWs) bands (ev): -20.5683 -20.5683 -20.4819 -20.4819 -17.5014 -17.5013 -17.2622 -17.2621 -15.9601 -15.9600 -15.9593 -15.9592 -9.4409 -9.4407 -9.2995 -9.2994 -7.9013 -7.9012 -7.9001 -7.8999 -7.1392 -7.1389 -7.0756 -7.0748 -5.9987 -5.9976 -5.9706 -5.9683 -5.2085 -5.2049 -5.1117 -5.1108 -4.7396 -4.7389 -4.6977 -4.6954 -1.0075 -1.0071 -0.9787 -0.9781 -0.6553 -0.6531 -0.4534 -0.4518 -0.3963 -0.3946 -0.2215 -0.2198 6.3865 6.3880 6.3986 6.3994 6.7054 6.7069 7.4031 7.4048 8.5834 8.5834 k = 0.0000 0.2500 0.6000 ( 5516 PWs) bands (ev): -20.5661 -20.5660 -20.4841 -20.4841 -17.4957 -17.4956 -17.2689 -17.2689 -15.9595 -15.9594 -15.9587 -15.9586 -9.4381 -9.4379 -9.3038 -9.3037 -7.9018 -7.9016 -7.9004 -7.9002 -7.1403 -7.1400 -7.0798 -7.0790 -6.0019 -6.0009 -5.9725 -5.9701 -5.1974 -5.1938 -5.0948 -5.0941 -4.7478 -4.7469 -4.7006 -4.6982 -1.0156 -1.0152 -0.9869 -0.9864 -0.6415 -0.6391 -0.4579 -0.4561 -0.3928 -0.3909 -0.2204 -0.2187 6.3854 6.3868 6.3899 6.3907 6.7405 6.7418 7.4259 7.4276 8.5540 8.5541 k = 0.0000 0.2679 0.6000 ( 5516 PWs) bands (ev): -20.5637 -20.5637 -20.4865 -20.4865 -17.4896 -17.4896 -17.2760 -17.2760 -15.9589 -15.9589 -15.9581 -15.9580 -9.4351 -9.4349 -9.3084 -9.3083 -7.9022 -7.9020 -7.9008 -7.9005 -7.1413 -7.1410 -7.0840 -7.0832 -6.0048 -6.0039 -5.9746 -5.9722 -5.1857 -5.1820 -5.0781 -5.0775 -4.7561 -4.7551 -4.7039 -4.7014 -1.0235 -1.0230 -0.9953 -0.9947 -0.6279 -0.6254 -0.4623 -0.4605 -0.3886 -0.3866 -0.2198 -0.2181 6.3818 6.3827 6.3840 6.3852 6.7778 6.7790 7.4473 7.4490 8.5237 8.5238 k = 0.0000 0.2857 0.6000 ( 5508 PWs) bands (ev): -20.5612 -20.5612 -20.4890 -20.4889 -17.4832 -17.4832 -17.2834 -17.2834 -15.9584 -15.9583 -15.9575 -15.9574 -9.4318 -9.4316 -9.3132 -9.3130 -7.9026 -7.9024 -7.9011 -7.9009 -7.1422 -7.1418 -7.0883 -7.0875 -6.0073 -6.0065 -5.9768 -5.9744 -5.1735 -5.1697 -5.0618 -5.0614 -4.7645 -4.7634 -4.7076 -4.7049 -1.0309 -1.0305 -1.0037 -1.0031 -0.6149 -0.6123 -0.4666 -0.4647 -0.3838 -0.3816 -0.2199 -0.2181 6.3747 6.3755 6.3822 6.3832 6.8171 6.8182 7.4669 7.4686 8.4934 8.4936 k = 0.0000 0.3036 0.6000 ( 5500 PWs) bands (ev): -20.5586 -20.5586 -20.4916 -20.4915 -17.4765 -17.4764 -17.2911 -17.2911 -15.9578 -15.9578 -15.9569 -15.9569 -9.4283 -9.4281 -9.3182 -9.3180 -7.9030 -7.9028 -7.9015 -7.9012 -7.1429 -7.1425 -7.0927 -7.0918 -6.0095 -6.0087 -5.9792 -5.9769 -5.1607 -5.1569 -5.0461 -5.0460 -4.7729 -4.7715 -4.7117 -4.7089 -1.0380 -1.0375 -1.0119 -1.0113 -0.6025 -0.5997 -0.4708 -0.4689 -0.3782 -0.3758 -0.2207 -0.2189 6.3683 6.3690 6.3801 6.3810 6.8583 6.8593 7.4839 7.4856 8.4639 8.4641 k = 0.0000 0.3214 0.6000 ( 5494 PWs) bands (ev): -20.5559 -20.5559 -20.4943 -20.4943 -17.4694 -17.4694 -17.2991 -17.2990 -15.9573 -15.9572 -15.9564 -15.9563 -9.4247 -9.4244 -9.3233 -9.3231 -7.9033 -7.9032 -7.9018 -7.9016 -7.1433 -7.1429 -7.0970 -7.0961 -6.0112 -6.0105 -5.9817 -5.9795 -5.1475 -5.1436 -5.0316 -5.0314 -4.7810 -4.7793 -4.7162 -4.7133 -1.0445 -1.0441 -1.0200 -1.0194 -0.5908 -0.5879 -0.4750 -0.4730 -0.3718 -0.3694 -0.2223 -0.2204 6.3628 6.3635 6.3777 6.3786 6.9012 6.9020 7.4978 7.4994 8.4361 8.4364 k = 0.0000 0.3393 0.6000 ( 5490 PWs) bands (ev): -20.5531 -20.5531 -20.4971 -20.4971 -17.4621 -17.4621 -17.3073 -17.3072 -15.9568 -15.9567 -15.9559 -15.9558 -9.4208 -9.4206 -9.3285 -9.3283 -7.9037 -7.9035 -7.9022 -7.9019 -7.1436 -7.1431 -7.1013 -7.1004 -6.0125 -6.0119 -5.9843 -5.9822 -5.1339 -5.1301 -5.0185 -5.0181 -4.7884 -4.7865 -4.7212 -4.7182 -1.0505 -1.0501 -1.0277 -1.0271 -0.5798 -0.5769 -0.4791 -0.4770 -0.3647 -0.3621 -0.2246 -0.2226 6.3581 6.3588 6.3752 6.3759 6.9454 6.9462 7.5077 7.5093 8.4107 8.4111 k = 0.0000 0.3571 0.6000 ( 5476 PWs) bands (ev): -20.5502 -20.5502 -20.5000 -20.4999 -17.4545 -17.4545 -17.3157 -17.3157 -15.9563 -15.9562 -15.9555 -15.9554 -9.4167 -9.4165 -9.3338 -9.3337 -7.9039 -7.9037 -7.9026 -7.9023 -7.1436 -7.1431 -7.1055 -7.1046 -6.0134 -6.0129 -5.9870 -5.9850 -5.1201 -5.1163 -5.0073 -5.0064 -4.7950 -4.7927 -4.7267 -4.7235 -1.0559 -1.0554 -1.0351 -1.0345 -0.5698 -0.5668 -0.4831 -0.4809 -0.3568 -0.3542 -0.2277 -0.2257 6.3544 6.3550 6.3724 6.3731 6.9908 6.9915 7.5130 7.5144 8.3887 8.3892 k = 0.0000 0.3750 0.6000 ( 5482 PWs) bands (ev): -20.5473 -20.5473 -20.5029 -20.5029 -17.4467 -17.4467 -17.3243 -17.3242 -15.9558 -15.9557 -15.9551 -15.9550 -9.4124 -9.4122 -9.3393 -9.3391 -7.9042 -7.9040 -7.9029 -7.9026 -7.1433 -7.1428 -7.1096 -7.1087 -6.0138 -6.0135 -5.9897 -5.9878 -5.1061 -5.1023 -4.9984 -4.9970 -4.8002 -4.7976 -4.7326 -4.7293 -1.0606 -1.0601 -1.0420 -1.0414 -0.5606 -0.5575 -0.4871 -0.4848 -0.3483 -0.3456 -0.2317 -0.2296 6.3514 6.3520 6.3696 6.3702 7.0370 7.0376 7.5130 7.5143 8.3709 8.3715 k = 0.0000 0.3929 0.6000 ( 5474 PWs) bands (ev): -20.5443 -20.5442 -20.5060 -20.5060 -17.4386 -17.4386 -17.3330 -17.3330 -15.9554 -15.9553 -15.9547 -15.9546 -9.4079 -9.4077 -9.3448 -9.3446 -7.9044 -7.9042 -7.9032 -7.9030 -7.1428 -7.1422 -7.1136 -7.1127 -6.0139 -6.0137 -5.9924 -5.9907 -5.0921 -5.0883 -4.9921 -4.9902 -4.8037 -4.8006 -4.7390 -4.7356 -1.0646 -1.0641 -1.0484 -1.0478 -0.5522 -0.5492 -0.4910 -0.4887 -0.3392 -0.3365 -0.2364 -0.2343 6.3493 6.3498 6.3667 6.3672 7.0838 7.0844 7.5071 7.5083 8.3578 8.3585 k = 0.0000 0.4107 0.6000 ( 5472 PWs) bands (ev): -20.5412 -20.5411 -20.5091 -20.5091 -17.4304 -17.4303 -17.3419 -17.3418 -15.9550 -15.9550 -15.9544 -15.9543 -9.4033 -9.4030 -9.3503 -9.3501 -7.9045 -7.9043 -7.9036 -7.9033 -7.1419 -7.1413 -7.1174 -7.1165 -6.0135 -6.0135 -5.9952 -5.9936 -5.0781 -5.0743 -4.9888 -4.9865 -4.8051 -4.8017 -4.7458 -4.7423 -1.0678 -1.0673 -1.0541 -1.0535 -0.5446 -0.5416 -0.4949 -0.4925 -0.3297 -0.3270 -0.2420 -0.2398 6.3480 6.3485 6.3637 6.3642 7.1308 7.1313 7.4952 7.4962 8.3500 8.3508 k = 0.0000 0.4286 0.6000 ( 5482 PWs) bands (ev): -20.5380 -20.5380 -20.5122 -20.5122 -17.4219 -17.4219 -17.3508 -17.3508 -15.9547 -15.9546 -15.9542 -15.9541 -9.3985 -9.3982 -9.3559 -9.3557 -7.9047 -7.9044 -7.9038 -7.9036 -7.1408 -7.1401 -7.1210 -7.1201 -6.0129 -6.0128 -5.9979 -5.9964 -5.0643 -5.0606 -4.9887 -4.9860 -4.8043 -4.8006 -4.7530 -4.7494 -1.0703 -1.0698 -1.0592 -1.0586 -0.5378 -0.5348 -0.4989 -0.4964 -0.3199 -0.3172 -0.2484 -0.2462 6.3474 6.3478 6.3608 6.3613 7.1776 7.1780 7.4771 7.4780 8.3475 8.3485 k = 0.0000 0.4464 0.6000 ( 5474 PWs) bands (ev): -20.5348 -20.5348 -20.5154 -20.5154 -17.4133 -17.4133 -17.3598 -17.3597 -15.9544 -15.9543 -15.9541 -15.9540 -9.3935 -9.3933 -9.3614 -9.3612 -7.9047 -7.9045 -7.9041 -7.9038 -7.1393 -7.1386 -7.1244 -7.1235 -6.0120 -6.0117 -6.0005 -5.9992 -5.0509 -5.0472 -4.9917 -4.9886 -4.8013 -4.7974 -4.7605 -4.7568 -1.0719 -1.0714 -1.0635 -1.0629 -0.5315 -0.5286 -0.5029 -0.5004 -0.3099 -0.3073 -0.2555 -0.2533 6.3475 6.3479 6.3581 6.3585 7.2237 7.2241 7.4532 7.4540 8.3504 8.3515 k = 0.0000 0.4643 0.6000 ( 5470 PWs) bands (ev): -20.5316 -20.5316 -20.5186 -20.5186 -17.4046 -17.4046 -17.3688 -17.3688 -15.9542 -15.9541 -15.9540 -15.9539 -9.3884 -9.3882 -9.3670 -9.3667 -7.9047 -7.9045 -7.9043 -7.9040 -7.1375 -7.1368 -7.1276 -7.1267 -6.0107 -6.0102 -6.0029 -6.0018 -5.0380 -5.0343 -4.9973 -4.9940 -4.7966 -4.7925 -4.7682 -4.7643 -1.0727 -1.0721 -1.0670 -1.0664 -0.5259 -0.5230 -0.5070 -0.5044 -0.3000 -0.2974 -0.2634 -0.2610 6.3481 6.3486 6.3555 6.3559 7.2686 7.2691 7.4241 7.4247 8.3583 8.3596 k = 0.0000 0.4821 0.6000 ( 5474 PWs) bands (ev): -20.5284 -20.5284 -20.5219 -20.5219 -17.3957 -17.3957 -17.3778 -17.3778 -15.9541 -15.9540 -15.9539 -15.9538 -9.3832 -9.3830 -9.3724 -9.3722 -7.9047 -7.9045 -7.9044 -7.9042 -7.1355 -7.1347 -7.1305 -7.1297 -6.0091 -6.0085 -6.0052 -6.0042 -5.0259 -5.0223 -5.0052 -5.0017 -4.7905 -4.7864 -4.7759 -4.7720 -1.0725 -1.0720 -1.0697 -1.0691 -0.5207 -0.5179 -0.5113 -0.5087 -0.2902 -0.2877 -0.2718 -0.2694 6.3493 6.3497 6.3531 6.3535 7.3118 7.3123 7.3903 7.3909 8.3709 8.3722 k = 0.0000 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3868 -17.3868 -17.3868 -17.3868 -15.9540 -15.9540 -15.9539 -15.9539 -9.3779 -9.3779 -9.3777 -9.3777 -7.9046 -7.9046 -7.9043 -7.9043 -7.1331 -7.1331 -7.1324 -7.1324 -6.0073 -6.0073 -6.0065 -6.0065 -5.0148 -5.0148 -5.0113 -5.0113 -4.7834 -4.7834 -4.7794 -4.7794 -1.0716 -1.0716 -1.0710 -1.0710 -0.5159 -0.5159 -0.5131 -0.5131 -0.2808 -0.2808 -0.2784 -0.2784 6.3510 6.3510 6.3514 6.3514 7.3526 7.3526 7.3531 7.3531 8.3875 8.3875 k = 0.0000 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3868 -17.3868 -17.3868 -17.3868 -15.9540 -15.9540 -15.9539 -15.9539 -9.3779 -9.3779 -9.3777 -9.3777 -7.9046 -7.9046 -7.9043 -7.9043 -7.1331 -7.1331 -7.1324 -7.1324 -6.0073 -6.0073 -6.0065 -6.0065 -5.0148 -5.0148 -5.0113 -5.0113 -4.7834 -4.7834 -4.7794 -4.7794 -1.0716 -1.0716 -1.0710 -1.0710 -0.5159 -0.5159 -0.5131 -0.5131 -0.2808 -0.2808 -0.2784 -0.2784 6.3510 6.3510 6.3514 6.3514 7.3526 7.3526 7.3531 7.3531 8.3875 8.3875 k = 0.0179 0.5000 0.6000 ( 5484 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3868 -17.3868 -17.3867 -17.3867 -15.9540 -15.9540 -15.9539 -15.9539 -9.3778 -9.3778 -9.3775 -9.3775 -7.9047 -7.9047 -7.9044 -7.9044 -7.1330 -7.1330 -7.1322 -7.1322 -6.0073 -6.0073 -6.0064 -6.0064 -5.0159 -5.0159 -5.0124 -5.0124 -4.7828 -4.7828 -4.7788 -4.7788 -1.0713 -1.0713 -1.0708 -1.0708 -0.5156 -0.5156 -0.5128 -0.5128 -0.2808 -0.2808 -0.2783 -0.2783 6.3507 6.3507 6.3511 6.3511 7.3541 7.3541 7.3547 7.3547 8.3879 8.3879 k = 0.0357 0.5000 0.6000 ( 5480 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3866 -17.3866 -17.3866 -17.3866 -15.9543 -15.9543 -15.9542 -15.9542 -9.3774 -9.3774 -9.3772 -9.3772 -7.9049 -7.9049 -7.9046 -7.9046 -7.1325 -7.1325 -7.1318 -7.1318 -6.0072 -6.0072 -6.0063 -6.0063 -5.0193 -5.0193 -5.0156 -5.0156 -4.7809 -4.7809 -4.7769 -4.7769 -1.0706 -1.0706 -1.0701 -1.0701 -0.5148 -0.5148 -0.5121 -0.5121 -0.2806 -0.2806 -0.2781 -0.2781 6.3497 6.3497 6.3501 6.3501 7.3587 7.3587 7.3592 7.3592 8.3892 8.3892 k = 0.0536 0.5000 0.6000 ( 5480 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3864 -17.3864 -17.3864 -17.3864 -15.9546 -15.9546 -15.9545 -15.9545 -9.3769 -9.3769 -9.3767 -9.3767 -7.9052 -7.9052 -7.9049 -7.9049 -7.1318 -7.1318 -7.1310 -7.1310 -6.0071 -6.0071 -6.0061 -6.0061 -5.0246 -5.0246 -5.0208 -5.0208 -4.7779 -4.7779 -4.7739 -4.7739 -1.0694 -1.0694 -1.0689 -1.0689 -0.5135 -0.5135 -0.5108 -0.5108 -0.2803 -0.2803 -0.2778 -0.2778 6.3481 6.3481 6.3485 6.3485 7.3663 7.3663 7.3668 7.3668 8.3912 8.3912 k = 0.0714 0.5000 0.6000 ( 5488 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3862 -17.3862 -17.3861 -17.3861 -15.9551 -15.9551 -15.9550 -15.9550 -9.3762 -9.3762 -9.3760 -9.3760 -7.9056 -7.9056 -7.9053 -7.9053 -7.1308 -7.1308 -7.1300 -7.1300 -6.0070 -6.0070 -6.0057 -6.0057 -5.0318 -5.0318 -5.0278 -5.0278 -4.7740 -4.7740 -4.7700 -4.7700 -1.0678 -1.0678 -1.0672 -1.0672 -0.5117 -0.5117 -0.5090 -0.5090 -0.2798 -0.2798 -0.2774 -0.2774 6.3460 6.3460 6.3464 6.3464 7.3768 7.3768 7.3773 7.3773 8.3940 8.3940 k = 0.0893 0.5000 0.6000 ( 5484 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3858 -17.3858 -17.3857 -17.3857 -15.9558 -15.9558 -15.9557 -15.9557 -9.3753 -9.3753 -9.3751 -9.3751 -7.9061 -7.9061 -7.9059 -7.9059 -7.1295 -7.1295 -7.1287 -7.1287 -6.0068 -6.0068 -6.0054 -6.0054 -5.0405 -5.0405 -5.0364 -5.0364 -4.7693 -4.7693 -4.7654 -4.7654 -1.0657 -1.0657 -1.0652 -1.0652 -0.5095 -0.5095 -0.5068 -0.5068 -0.2793 -0.2793 -0.2769 -0.2769 6.3433 6.3433 6.3437 6.3437 7.3902 7.3902 7.3908 7.3908 8.3976 8.3977 k = 0.1071 0.5000 0.6000 ( 5484 PWs) bands (ev): -20.5251 -20.5251 -20.5250 -20.5250 -17.3853 -17.3853 -17.3853 -17.3853 -15.9565 -15.9565 -15.9564 -15.9564 -9.3743 -9.3743 -9.3741 -9.3741 -7.9068 -7.9068 -7.9065 -7.9065 -7.1280 -7.1280 -7.1272 -7.1272 -6.0065 -6.0065 -6.0049 -6.0049 -5.0505 -5.0505 -5.0463 -5.0463 -4.7641 -4.7641 -4.7603 -4.7603 -1.0632 -1.0632 -1.0627 -1.0627 -0.5068 -0.5068 -0.5041 -0.5041 -0.2786 -0.2786 -0.2762 -0.2762 6.3402 6.3402 6.3406 6.3406 7.4063 7.4063 7.4069 7.4069 8.4020 8.4020 k = 0.1250 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5250 -20.5250 -20.5250 -20.5250 -17.3848 -17.3848 -17.3848 -17.3848 -15.9574 -15.9574 -15.9573 -15.9573 -9.3730 -9.3730 -9.3728 -9.3728 -7.9075 -7.9075 -7.9073 -7.9073 -7.1262 -7.1262 -7.1254 -7.1254 -6.0062 -6.0062 -6.0045 -6.0045 -5.0615 -5.0615 -5.0572 -5.0572 -4.7586 -4.7586 -4.7549 -4.7549 -1.0603 -1.0603 -1.0598 -1.0598 -0.5038 -0.5038 -0.5011 -0.5011 -0.2778 -0.2778 -0.2755 -0.2755 6.3367 6.3367 6.3371 6.3371 7.4251 7.4251 7.4258 7.4258 8.4071 8.4071 k = 0.1429 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5250 -20.5250 -20.5250 -20.5250 -17.3843 -17.3843 -17.3842 -17.3842 -15.9584 -15.9584 -15.9583 -15.9583 -9.3717 -9.3717 -9.3715 -9.3715 -7.9083 -7.9083 -7.9081 -7.9081 -7.1242 -7.1242 -7.1233 -7.1233 -6.0059 -6.0059 -6.0039 -6.0039 -5.0734 -5.0734 -5.0690 -5.0690 -4.7529 -4.7529 -4.7494 -4.7494 -1.0571 -1.0571 -1.0566 -1.0566 -0.5004 -0.5004 -0.4978 -0.4978 -0.2769 -0.2769 -0.2746 -0.2746 6.3329 6.3329 6.3333 6.3333 7.4465 7.4465 7.4472 7.4472 8.4128 8.4128 k = 0.1607 0.5000 0.6000 ( 5504 PWs) bands (ev): -20.5250 -20.5250 -20.5250 -20.5250 -17.3837 -17.3837 -17.3836 -17.3836 -15.9595 -15.9595 -15.9594 -15.9594 -9.3702 -9.3702 -9.3700 -9.3700 -7.9092 -7.9092 -7.9090 -7.9090 -7.1220 -7.1220 -7.1211 -7.1211 -6.0055 -6.0055 -6.0034 -6.0034 -5.0858 -5.0858 -5.0814 -5.0814 -4.7472 -4.7472 -4.7438 -4.7438 -1.0535 -1.0535 -1.0530 -1.0530 -0.4967 -0.4967 -0.4942 -0.4942 -0.2759 -0.2759 -0.2736 -0.2736 6.3289 6.3289 6.3294 6.3294 7.4703 7.4703 7.4710 7.4710 8.4192 8.4192 k = 0.1786 0.5000 0.6000 ( 5504 PWs) bands (ev): -20.5250 -20.5250 -20.5250 -20.5250 -17.3830 -17.3830 -17.3830 -17.3830 -15.9606 -15.9606 -15.9606 -15.9606 -9.3685 -9.3685 -9.3683 -9.3683 -7.9102 -7.9102 -7.9100 -7.9100 -7.1196 -7.1196 -7.1188 -7.1188 -6.0050 -6.0050 -6.0028 -6.0028 -5.0987 -5.0987 -5.0942 -5.0942 -4.7416 -4.7416 -4.7383 -4.7383 -1.0496 -1.0496 -1.0492 -1.0492 -0.4929 -0.4929 -0.4904 -0.4904 -0.2748 -0.2748 -0.2725 -0.2725 6.3248 6.3248 6.3252 6.3252 7.4963 7.4963 7.4971 7.4971 8.4260 8.4260 k = 0.1964 0.5000 0.6000 ( 5512 PWs) bands (ev): -20.5249 -20.5249 -20.5249 -20.5249 -17.3823 -17.3823 -17.3822 -17.3822 -15.9619 -15.9619 -15.9618 -15.9618 -9.3668 -9.3668 -9.3666 -9.3666 -7.9112 -7.9112 -7.9110 -7.9110 -7.1171 -7.1171 -7.1162 -7.1162 -6.0046 -6.0046 -6.0022 -6.0022 -5.1118 -5.1118 -5.1073 -5.1073 -4.7362 -4.7362 -4.7330 -4.7330 -1.0455 -1.0455 -1.0451 -1.0451 -0.4888 -0.4888 -0.4864 -0.4864 -0.2735 -0.2735 -0.2714 -0.2714 6.3206 6.3206 6.3211 6.3211 7.5245 7.5245 7.5253 7.5253 8.4333 8.4333 k = 0.2143 0.5000 0.6000 ( 5508 PWs) bands (ev): -20.5249 -20.5249 -20.5249 -20.5249 -17.3815 -17.3815 -17.3815 -17.3815 -15.9631 -15.9631 -15.9631 -15.9631 -9.3650 -9.3650 -9.3649 -9.3649 -7.9123 -7.9123 -7.9120 -7.9120 -7.1144 -7.1144 -7.1136 -7.1136 -6.0040 -6.0040 -6.0016 -6.0016 -5.1250 -5.1250 -5.1205 -5.1205 -4.7310 -4.7310 -4.7280 -4.7280 -1.0412 -1.0412 -1.0408 -1.0408 -0.4847 -0.4847 -0.4824 -0.4824 -0.2722 -0.2722 -0.2701 -0.2701 6.3165 6.3165 6.3169 6.3169 7.5547 7.5547 7.5556 7.5556 8.4409 8.4409 k = 0.2321 0.5000 0.6000 ( 5500 PWs) bands (ev): -20.5249 -20.5249 -20.5249 -20.5249 -17.3808 -17.3808 -17.3808 -17.3808 -15.9644 -15.9644 -15.9644 -15.9644 -9.3632 -9.3632 -9.3630 -9.3630 -7.9133 -7.9133 -7.9131 -7.9131 -7.1117 -7.1117 -7.1108 -7.1108 -6.0035 -6.0035 -6.0009 -6.0009 -5.1381 -5.1381 -5.1337 -5.1337 -4.7261 -4.7261 -4.7232 -4.7232 -1.0368 -1.0368 -1.0364 -1.0364 -0.4805 -0.4805 -0.4783 -0.4783 -0.2708 -0.2708 -0.2687 -0.2687 6.3124 6.3124 6.3128 6.3128 7.5868 7.5868 7.5877 7.5877 8.4486 8.4486 k = 0.2500 0.5000 0.6000 ( 5504 PWs) bands (ev): -20.5248 -20.5248 -20.5248 -20.5248 -17.3800 -17.3800 -17.3800 -17.3800 -15.9658 -15.9658 -15.9657 -15.9657 -9.3613 -9.3613 -9.3612 -9.3612 -7.9144 -7.9144 -7.9142 -7.9142 -7.1089 -7.1089 -7.1081 -7.1081 -6.0029 -6.0029 -6.0003 -6.0003 -5.1509 -5.1509 -5.1467 -5.1467 -4.7215 -4.7215 -4.7187 -4.7187 -1.0323 -1.0323 -1.0319 -1.0319 -0.4764 -0.4764 -0.4742 -0.4742 -0.2693 -0.2693 -0.2674 -0.2674 6.3084 6.3084 6.3088 6.3088 7.6205 7.6205 7.6215 7.6215 8.4562 8.4562 k = 0.2679 0.5000 0.6000 ( 5500 PWs) bands (ev): -20.5248 -20.5248 -20.5248 -20.5248 -17.3793 -17.3793 -17.3792 -17.3792 -15.9671 -15.9671 -15.9670 -15.9670 -9.3595 -9.3595 -9.3593 -9.3593 -7.9155 -7.9155 -7.9153 -7.9153 -7.1061 -7.1061 -7.1052 -7.1052 -6.0023 -6.0023 -5.9997 -5.9997 -5.1635 -5.1635 -5.1593 -5.1593 -4.7172 -4.7172 -4.7146 -4.7146 -1.0278 -1.0278 -1.0274 -1.0274 -0.4723 -0.4723 -0.4702 -0.4702 -0.2678 -0.2678 -0.2659 -0.2659 6.3046 6.3046 6.3050 6.3050 7.6558 7.6558 7.6568 7.6568 8.4632 8.4632 k = 0.2857 0.5000 0.6000 ( 5500 PWs) bands (ev): -20.5248 -20.5248 -20.5248 -20.5248 -17.3785 -17.3785 -17.3785 -17.3785 -15.9684 -15.9684 -15.9683 -15.9683 -9.3577 -9.3577 -9.3575 -9.3575 -7.9166 -7.9166 -7.9164 -7.9164 -7.1032 -7.1032 -7.1025 -7.1025 -6.0016 -6.0016 -5.9991 -5.9991 -5.1756 -5.1756 -5.1716 -5.1716 -4.7132 -4.7132 -4.7109 -4.7109 -1.0233 -1.0233 -1.0229 -1.0229 -0.4683 -0.4683 -0.4664 -0.4664 -0.2662 -0.2662 -0.2645 -0.2645 6.3010 6.3010 6.3014 6.3014 7.6925 7.6925 7.6935 7.6935 8.4691 8.4691 k = 0.3036 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5247 -20.5247 -20.5247 -20.5247 -17.3777 -17.3777 -17.3777 -17.3777 -15.9697 -15.9697 -15.9696 -15.9696 -9.3559 -9.3559 -9.3557 -9.3557 -7.9177 -7.9177 -7.9175 -7.9175 -7.1005 -7.1005 -7.0997 -7.0997 -6.0010 -6.0010 -5.9985 -5.9985 -5.1871 -5.1871 -5.1833 -5.1833 -4.7096 -4.7096 -4.7075 -4.7075 -1.0189 -1.0189 -1.0185 -1.0185 -0.4645 -0.4645 -0.4627 -0.4627 -0.2647 -0.2647 -0.2630 -0.2630 6.2976 6.2976 6.2980 6.2980 7.7304 7.7304 7.7315 7.7315 8.4734 8.4734 k = 0.3214 0.5000 0.6000 ( 5508 PWs) bands (ev): -20.5247 -20.5247 -20.5247 -20.5247 -17.3770 -17.3770 -17.3770 -17.3770 -15.9709 -15.9709 -15.9709 -15.9709 -9.3542 -9.3542 -9.3540 -9.3540 -7.9187 -7.9187 -7.9186 -7.9186 -7.0978 -7.0978 -7.0971 -7.0971 -6.0004 -6.0004 -5.9980 -5.9980 -5.1980 -5.1980 -5.1944 -5.1944 -4.7064 -4.7064 -4.7044 -4.7044 -1.0146 -1.0146 -1.0143 -1.0143 -0.4609 -0.4609 -0.4592 -0.4592 -0.2631 -0.2631 -0.2616 -0.2616 6.2945 6.2945 6.2949 6.2949 7.7693 7.7693 7.7704 7.7704 8.4750 8.4750 k = 0.3393 0.5000 0.6000 ( 5512 PWs) bands (ev): -20.5247 -20.5247 -20.5247 -20.5247 -17.3764 -17.3764 -17.3763 -17.3763 -15.9721 -15.9721 -15.9720 -15.9720 -9.3525 -9.3525 -9.3524 -9.3524 -7.9197 -7.9197 -7.9195 -7.9195 -7.0952 -7.0952 -7.0946 -7.0946 -5.9998 -5.9998 -5.9975 -5.9975 -5.2082 -5.2082 -5.2048 -5.2048 -4.7035 -4.7035 -4.7017 -4.7017 -1.0105 -1.0105 -1.0103 -1.0103 -0.4575 -0.4575 -0.4560 -0.4560 -0.2616 -0.2616 -0.2602 -0.2602 6.2917 6.2917 6.2921 6.2921 7.8090 7.8090 7.8102 7.8102 8.4728 8.4728 k = 0.3571 0.5000 0.6000 ( 5504 PWs) bands (ev): -20.5247 -20.5247 -20.5247 -20.5247 -17.3757 -17.3757 -17.3757 -17.3757 -15.9731 -15.9731 -15.9731 -15.9731 -9.3510 -9.3510 -9.3509 -9.3509 -7.9206 -7.9206 -7.9204 -7.9204 -7.0928 -7.0928 -7.0922 -7.0922 -5.9992 -5.9992 -5.9971 -5.9971 -5.2175 -5.2175 -5.2144 -5.2144 -4.7009 -4.7009 -4.6993 -4.6993 -1.0067 -1.0067 -1.0065 -1.0065 -0.4544 -0.4544 -0.4530 -0.4530 -0.2601 -0.2601 -0.2589 -0.2589 6.2892 6.2892 6.2895 6.2895 7.8493 7.8493 7.8505 7.8505 8.4658 8.4659 k = 0.3750 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3751 -17.3751 -17.3751 -17.3751 -15.9741 -15.9741 -15.9741 -15.9741 -9.3496 -9.3496 -9.3495 -9.3495 -7.9214 -7.9214 -7.9213 -7.9213 -7.0906 -7.0906 -7.0901 -7.0901 -5.9987 -5.9987 -5.9967 -5.9967 -5.2258 -5.2258 -5.2231 -5.2231 -4.6987 -4.6987 -4.6973 -4.6973 -1.0032 -1.0032 -1.0030 -1.0030 -0.4516 -0.4516 -0.4504 -0.4504 -0.2588 -0.2588 -0.2576 -0.2576 6.2869 6.2869 6.2872 6.2872 7.8898 7.8898 7.8910 7.8910 8.4534 8.4534 k = 0.3929 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3746 -17.3746 -17.3746 -17.3746 -15.9750 -15.9750 -15.9750 -15.9750 -9.3483 -9.3483 -9.3483 -9.3483 -7.9221 -7.9221 -7.9220 -7.9220 -7.0886 -7.0886 -7.0881 -7.0881 -5.9981 -5.9981 -5.9964 -5.9964 -5.2332 -5.2332 -5.2308 -5.2308 -4.6968 -4.6968 -4.6955 -4.6955 -1.0001 -1.0001 -0.9999 -0.9999 -0.4492 -0.4492 -0.4481 -0.4481 -0.2575 -0.2575 -0.2565 -0.2565 6.2850 6.2850 6.2853 6.2853 7.9302 7.9302 7.9314 7.9314 8.4356 8.4356 k = 0.4107 0.5000 0.6000 ( 5484 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3742 -17.3742 -17.3742 -17.3742 -15.9758 -15.9758 -15.9758 -15.9758 -9.3473 -9.3473 -9.3472 -9.3472 -7.9228 -7.9228 -7.9227 -7.9227 -7.0869 -7.0869 -7.0864 -7.0864 -5.9976 -5.9976 -5.9962 -5.9962 -5.2395 -5.2395 -5.2374 -5.2374 -4.6951 -4.6951 -4.6941 -4.6941 -0.9974 -0.9974 -0.9972 -0.9972 -0.4470 -0.4470 -0.4461 -0.4461 -0.2564 -0.2564 -0.2556 -0.2556 6.2834 6.2834 6.2836 6.2836 7.9700 7.9700 7.9712 7.9712 8.4131 8.4132 k = 0.4286 0.5000 0.6000 ( 5496 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3738 -17.3738 -17.3738 -17.3738 -15.9764 -15.9764 -15.9764 -15.9764 -9.3464 -9.3464 -9.3463 -9.3463 -7.9233 -7.9233 -7.9232 -7.9232 -7.0854 -7.0854 -7.0851 -7.0851 -5.9972 -5.9972 -5.9960 -5.9960 -5.2447 -5.2447 -5.2430 -5.2430 -4.6938 -4.6938 -4.6930 -4.6930 -0.9951 -0.9951 -0.9950 -0.9950 -0.4452 -0.4452 -0.4445 -0.4445 -0.2554 -0.2554 -0.2548 -0.2548 6.2821 6.2821 6.2822 6.2822 8.0084 8.0084 8.0096 8.0096 8.3877 8.3877 k = 0.4464 0.5000 0.6000 ( 5496 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3735 -17.3735 -17.3735 -17.3735 -15.9770 -15.9770 -15.9769 -15.9769 -9.3456 -9.3456 -9.3456 -9.3456 -7.9237 -7.9237 -7.9237 -7.9237 -7.0842 -7.0842 -7.0840 -7.0840 -5.9968 -5.9968 -5.9959 -5.9959 -5.2487 -5.2487 -5.2475 -5.2475 -4.6927 -4.6927 -4.6921 -4.6921 -0.9933 -0.9933 -0.9932 -0.9932 -0.4438 -0.4438 -0.4433 -0.4433 -0.2546 -0.2546 -0.2541 -0.2541 6.2810 6.2810 6.2812 6.2812 8.0443 8.0443 8.0454 8.0454 8.3611 8.3611 k = 0.4643 0.5000 0.6000 ( 5500 PWs) bands (ev): -20.5246 -20.5246 -20.5246 -20.5246 -17.3733 -17.3733 -17.3733 -17.3733 -15.9773 -15.9773 -15.9773 -15.9773 -9.3451 -9.3451 -9.3451 -9.3451 -7.9240 -7.9240 -7.9240 -7.9240 -7.0833 -7.0833 -7.0832 -7.0832 -5.9965 -5.9965 -5.9959 -5.9959 -5.2516 -5.2516 -5.2507 -5.2507 -4.6920 -4.6920 -4.6916 -4.6916 -0.9919 -0.9919 -0.9919 -0.9919 -0.4428 -0.4428 -0.4424 -0.4424 -0.2540 -0.2540 -0.2537 -0.2537 6.2803 6.2803 6.2804 6.2804 8.0754 8.0754 8.0764 8.0764 8.3363 8.3364 k = 0.4821 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5245 -20.5245 -20.5245 -20.5245 -17.3731 -17.3731 -17.3731 -17.3731 -15.9775 -15.9775 -15.9775 -15.9775 -9.3448 -9.3448 -9.3448 -9.3448 -7.9242 -7.9242 -7.9242 -7.9242 -7.0828 -7.0828 -7.0827 -7.0827 -5.9962 -5.9962 -5.9959 -5.9959 -5.2532 -5.2532 -5.2528 -5.2528 -4.6915 -4.6915 -4.6913 -4.6913 -0.9911 -0.9911 -0.9911 -0.9911 -0.4421 -0.4421 -0.4419 -0.4419 -0.2536 -0.2536 -0.2535 -0.2535 6.2799 6.2799 6.2799 6.2799 8.0981 8.0981 8.0987 8.0987 8.3177 8.3184 k = 0.5000 0.5000 0.6000 ( 5480 PWs) bands (ev): -20.5245 -20.5245 -20.5245 -20.5245 -17.3731 -17.3731 -17.3731 -17.3731 -15.9776 -15.9776 -15.9776 -15.9776 -9.3447 -9.3447 -9.3447 -9.3447 -7.9242 -7.9242 -7.9242 -7.9242 -7.0826 -7.0826 -7.0826 -7.0826 -5.9960 -5.9960 -5.9960 -5.9960 -5.2536 -5.2536 -5.2536 -5.2536 -4.6912 -4.6912 -4.6912 -4.6912 -0.9908 -0.9908 -0.9908 -0.9908 -0.4418 -0.4418 -0.4418 -0.4418 -0.2534 -0.2534 -0.2534 -0.2534 6.2798 6.2798 6.2798 6.2798 8.1069 8.1069 8.1069 8.1069 8.3107 8.3107 k = 0.5000 0.5000 0.6000 ( 5480 PWs) bands (ev): -20.5245 -20.5245 -20.5245 -20.5245 -17.3731 -17.3731 -17.3731 -17.3731 -15.9776 -15.9776 -15.9776 -15.9776 -9.3447 -9.3447 -9.3447 -9.3447 -7.9242 -7.9242 -7.9242 -7.9242 -7.0826 -7.0826 -7.0826 -7.0826 -5.9960 -5.9960 -5.9960 -5.9960 -5.2536 -5.2536 -5.2536 -5.2536 -4.6912 -4.6912 -4.6912 -4.6912 -0.9908 -0.9908 -0.9908 -0.9908 -0.4418 -0.4418 -0.4418 -0.4418 -0.2534 -0.2534 -0.2534 -0.2534 6.2798 6.2798 6.2798 6.2798 8.1069 8.1069 8.1069 8.1069 8.3107 8.3107 k = 0.4875 0.4875 0.6000 ( 5492 PWs) bands (ev): -20.5246 -20.5246 -20.5245 -20.5244 -17.3734 -17.3734 -17.3729 -17.3729 -15.9776 -15.9776 -15.9775 -15.9775 -9.3450 -9.3449 -9.3446 -9.3446 -7.9242 -7.9242 -7.9242 -7.9241 -7.0829 -7.0828 -7.0826 -7.0826 -5.9964 -5.9960 -5.9960 -5.9959 -5.2538 -5.2538 -5.2525 -5.2520 -4.6916 -4.6914 -4.6912 -4.6912 -0.9913 -0.9913 -0.9909 -0.9909 -0.4422 -0.4422 -0.4418 -0.4418 -0.2541 -0.2540 -0.2532 -0.2530 6.2796 6.2797 6.2802 6.2802 8.0898 8.0905 8.1075 8.1077 8.3111 8.3111 k = 0.4750 0.4750 0.6000 ( 5492 PWs) bands (ev): -20.5249 -20.5249 -20.5242 -20.5242 -17.3743 -17.3743 -17.3723 -17.3723 -15.9775 -15.9775 -15.9771 -15.9771 -9.3458 -9.3457 -9.3444 -9.3444 -7.9241 -7.9241 -7.9239 -7.9239 -7.0839 -7.0837 -7.0826 -7.0826 -5.9970 -5.9961 -5.9958 -5.9958 -5.2544 -5.2543 -5.2486 -5.2476 -4.6925 -4.6921 -4.6912 -4.6912 -0.9928 -0.9928 -0.9910 -0.9910 -0.4434 -0.4433 -0.4418 -0.4417 -0.2558 -0.2556 -0.2522 -0.2519 6.2793 6.2794 6.2813 6.2814 8.0485 8.0496 8.1091 8.1094 8.3123 8.3124 k = 0.4625 0.4625 0.6000 ( 5496 PWs) bands (ev): -20.5254 -20.5254 -20.5238 -20.5238 -17.3758 -17.3757 -17.3712 -17.3712 -15.9774 -15.9774 -15.9765 -15.9765 -9.3471 -9.3471 -9.3441 -9.3441 -7.9239 -7.9239 -7.9236 -7.9235 -7.0855 -7.0852 -7.0827 -7.0827 -5.9977 -5.9965 -5.9955 -5.9955 -5.2553 -5.2551 -5.2420 -5.2406 -4.6939 -4.6934 -4.6912 -4.6912 -0.9952 -0.9951 -0.9911 -0.9911 -0.4453 -0.4451 -0.4417 -0.4417 -0.2586 -0.2583 -0.2506 -0.2501 6.2788 6.2790 6.2833 6.2833 7.9954 7.9965 8.1114 8.1118 8.3143 8.3145 k = 0.4500 0.4500 0.6000 ( 5500 PWs) bands (ev): -20.5260 -20.5260 -20.5232 -20.5232 -17.3778 -17.3778 -17.3698 -17.3698 -15.9773 -15.9773 -15.9757 -15.9756 -9.3489 -9.3489 -9.3437 -9.3436 -7.9236 -7.9236 -7.9230 -7.9230 -7.0877 -7.0872 -7.0828 -7.0828 -5.9987 -5.9971 -5.9952 -5.9952 -5.2565 -5.2563 -5.2329 -5.2311 -4.6959 -4.6952 -4.6912 -4.6911 -0.9984 -0.9984 -0.9913 -0.9913 -0.4478 -0.4477 -0.4417 -0.4416 -0.2626 -0.2621 -0.2484 -0.2478 6.2781 6.2784 6.2860 6.2860 7.9364 7.9376 8.1133 8.1138 8.3172 8.3174 k = 0.4375 0.4375 0.6000 ( 5492 PWs) bands (ev): -20.5268 -20.5268 -20.5224 -20.5224 -17.3804 -17.3803 -17.3679 -17.3679 -15.9771 -15.9771 -15.9746 -15.9746 -9.3512 -9.3512 -9.3431 -9.3430 -7.9232 -7.9232 -7.9223 -7.9223 -7.0903 -7.0898 -7.0829 -7.0829 -5.9997 -5.9978 -5.9947 -5.9947 -5.2579 -5.2578 -5.2214 -5.2192 -4.6986 -4.6977 -4.6911 -4.6911 -1.0024 -1.0024 -0.9916 -0.9915 -0.4509 -0.4508 -0.4416 -0.4415 -0.2675 -0.2670 -0.2457 -0.2449 6.2774 6.2777 6.2894 6.2894 7.8744 7.8755 8.1138 8.1143 8.3209 8.3211 k = 0.4250 0.4250 0.6000 ( 5500 PWs) bands (ev): -20.5278 -20.5278 -20.5215 -20.5214 -17.3835 -17.3834 -17.3656 -17.3656 -15.9769 -15.9769 -15.9734 -15.9734 -9.3540 -9.3540 -9.3424 -9.3423 -7.9228 -7.9227 -7.9215 -7.9214 -7.0934 -7.0928 -7.0831 -7.0830 -6.0009 -5.9987 -5.9941 -5.9941 -5.2597 -5.2595 -5.2078 -5.2052 -4.7018 -4.7007 -4.6911 -4.6911 -1.0071 -1.0070 -0.9918 -0.9918 -0.4546 -0.4545 -0.4414 -0.4414 -0.2735 -0.2728 -0.2426 -0.2417 6.2765 6.2769 6.2935 6.2936 7.8108 7.8119 8.1116 8.1119 8.3255 8.3257 k = 0.4125 0.4125 0.6000 ( 5492 PWs) bands (ev): -20.5289 -20.5289 -20.5204 -20.5204 -17.3871 -17.3870 -17.3630 -17.3630 -15.9766 -15.9766 -15.9720 -15.9719 -9.3572 -9.3571 -9.3415 -9.3414 -7.9222 -7.9222 -7.9206 -7.9205 -7.0968 -7.0961 -7.0832 -7.0831 -6.0020 -5.9997 -5.9934 -5.9934 -5.2616 -5.2614 -5.1922 -5.1893 -4.7057 -4.7045 -4.6910 -4.6910 -1.0122 -1.0121 -0.9921 -0.9920 -0.4587 -0.4586 -0.4413 -0.4412 -0.2804 -0.2796 -0.2392 -0.2383 6.2757 6.2761 6.2983 6.2983 7.7464 7.7474 8.1052 8.1053 8.3309 8.3311 k = 0.4000 0.4000 0.6000 ( 5492 PWs) bands (ev): -20.5302 -20.5302 -20.5191 -20.5191 -17.3911 -17.3911 -17.3600 -17.3599 -15.9763 -15.9763 -15.9704 -15.9704 -9.3607 -9.3607 -9.3405 -9.3404 -7.9216 -7.9216 -7.9196 -7.9194 -7.1004 -7.0997 -7.0833 -7.0832 -6.0032 -6.0007 -5.9927 -5.9927 -5.2637 -5.2635 -5.1749 -5.1718 -4.7104 -4.7090 -4.6910 -4.6909 -1.0178 -1.0177 -0.9924 -0.9923 -0.4632 -0.4632 -0.4411 -0.4410 -0.2882 -0.2872 -0.2357 -0.2346 6.2749 6.2754 6.3037 6.3038 7.6817 7.6827 8.0937 8.0937 8.3371 8.3374 k = 0.3875 0.3875 0.6000 ( 5484 PWs) bands (ev): -20.5316 -20.5316 -20.5177 -20.5177 -17.3956 -17.3956 -17.3566 -17.3565 -15.9760 -15.9760 -15.9688 -15.9688 -9.3646 -9.3645 -9.3394 -9.3393 -7.9210 -7.9210 -7.9184 -7.9183 -7.1043 -7.1036 -7.0834 -7.0833 -6.0042 -6.0017 -5.9918 -5.9918 -5.2660 -5.2657 -5.1563 -5.1530 -4.7158 -4.7143 -4.6909 -4.6909 -1.0235 -1.0234 -0.9927 -0.9926 -0.4681 -0.4680 -0.4408 -0.4407 -0.2968 -0.2956 -0.2320 -0.2309 6.2743 6.2747 6.3097 6.3097 7.6172 7.6182 8.0765 8.0769 8.3443 8.3446 k = 0.3750 0.3750 0.6000 ( 5480 PWs) bands (ev): -20.5332 -20.5332 -20.5162 -20.5162 -17.4005 -17.4005 -17.3528 -17.3528 -15.9757 -15.9757 -15.9671 -15.9671 -9.3688 -9.3687 -9.3381 -9.3380 -7.9202 -7.9202 -7.9172 -7.9171 -7.1083 -7.1075 -7.0834 -7.0833 -6.0052 -6.0027 -5.9909 -5.9909 -5.2683 -5.2680 -5.1366 -5.1332 -4.7220 -4.7203 -4.6908 -4.6907 -1.0292 -1.0291 -0.9930 -0.9928 -0.4733 -0.4731 -0.4405 -0.4404 -0.3060 -0.3047 -0.2284 -0.2272 6.2738 6.2743 6.3162 6.3162 7.5532 7.5542 8.0541 8.0547 8.3523 8.3527 k = 0.3625 0.3625 0.6000 ( 5480 PWs) bands (ev): -20.5349 -20.5349 -20.5146 -20.5146 -17.4057 -17.4057 -17.3487 -17.3487 -15.9753 -15.9753 -15.9654 -15.9654 -9.3732 -9.3731 -9.3367 -9.3366 -7.9195 -7.9194 -7.9159 -7.9158 -7.1123 -7.1115 -7.0834 -7.0833 -6.0060 -6.0036 -5.9899 -5.9898 -5.2706 -5.2704 -5.1161 -5.1126 -4.7290 -4.7271 -4.6907 -4.6906 -1.0347 -1.0346 -0.9932 -0.9930 -0.4789 -0.4785 -0.4401 -0.4401 -0.3159 -0.3144 -0.2248 -0.2236 6.2736 6.2741 6.3231 6.3232 7.4899 7.4908 8.0270 8.0280 8.3613 8.3617 k = 0.3500 0.3500 0.6000 ( 5476 PWs) bands (ev): -20.5367 -20.5367 -20.5128 -20.5128 -17.4113 -17.4113 -17.3443 -17.3443 -15.9748 -15.9748 -15.9637 -15.9637 -9.3777 -9.3776 -9.3351 -9.3350 -7.9186 -7.9186 -7.9146 -7.9145 -7.1162 -7.1154 -7.0833 -7.0832 -6.0066 -6.0043 -5.9888 -5.9887 -5.2730 -5.2727 -5.0952 -5.0917 -4.7368 -4.7348 -4.6905 -4.6905 -1.0399 -1.0399 -0.9933 -0.9932 -0.4848 -0.4843 -0.4397 -0.4396 -0.3261 -0.3244 -0.2215 -0.2201 6.2737 6.2742 6.3305 6.3306 7.4275 7.4285 7.9962 7.9974 8.3713 8.3717 k = 0.3375 0.3375 0.6000 ( 5474 PWs) bands (ev): -20.5386 -20.5386 -20.5109 -20.5109 -17.4171 -17.4171 -17.3396 -17.3396 -15.9744 -15.9744 -15.9620 -15.9620 -9.3825 -9.3824 -9.3334 -9.3332 -7.9177 -7.9177 -7.9133 -7.9131 -7.1200 -7.1192 -7.0832 -7.0830 -6.0071 -6.0050 -5.9876 -5.9876 -5.2752 -5.2749 -5.0742 -5.0707 -4.7453 -4.7432 -4.6904 -4.6903 -1.0446 -1.0446 -0.9934 -0.9932 -0.4911 -0.4904 -0.4392 -0.4392 -0.3367 -0.3347 -0.2183 -0.2169 6.2742 6.2748 6.3382 6.3383 7.3662 7.3672 7.9625 7.9638 8.3822 8.3826 k = 0.3250 0.3250 0.6000 ( 5482 PWs) bands (ev): -20.5406 -20.5406 -20.5090 -20.5090 -17.4231 -17.4231 -17.3347 -17.3346 -15.9740 -15.9740 -15.9604 -15.9604 -9.3873 -9.3872 -9.3315 -9.3313 -7.9168 -7.9168 -7.9120 -7.9118 -7.1236 -7.1228 -7.0830 -7.0828 -6.0074 -6.0054 -5.9864 -5.9864 -5.2773 -5.2771 -5.0535 -5.0501 -4.7545 -4.7523 -4.6902 -4.6901 -1.0486 -1.0486 -0.9933 -0.9931 -0.4978 -0.4969 -0.4387 -0.4386 -0.3473 -0.3452 -0.2155 -0.2141 6.2752 6.2757 6.3463 6.3463 7.3062 7.3072 7.9265 7.9280 8.3942 8.3946 k = 0.3125 0.3125 0.6000 ( 5488 PWs) bands (ev): -20.5427 -20.5427 -20.5070 -20.5069 -17.4294 -17.4293 -17.3295 -17.3294 -15.9735 -15.9735 -15.9589 -15.9589 -9.3921 -9.3920 -9.3294 -9.3293 -7.9159 -7.9158 -7.9106 -7.9105 -7.1269 -7.1262 -7.0827 -7.0825 -6.0074 -6.0058 -5.9852 -5.9851 -5.2793 -5.2790 -5.0336 -5.0303 -4.7642 -4.7619 -4.6900 -4.6899 -1.0517 -1.0517 -0.9931 -0.9929 -0.5051 -0.5039 -0.4381 -0.4380 -0.3579 -0.3555 -0.2130 -0.2115 6.2766 6.2771 6.3545 6.3546 7.2475 7.2485 7.8890 7.8906 8.4072 8.4077 k = 0.3000 0.3000 0.6000 ( 5496 PWs) bands (ev): -20.5449 -20.5449 -20.5049 -20.5048 -17.4357 -17.4357 -17.3240 -17.3240 -15.9730 -15.9730 -15.9576 -15.9576 -9.3969 -9.3968 -9.3272 -9.3270 -7.9149 -7.9149 -7.9093 -7.9092 -7.1299 -7.1292 -7.0822 -7.0820 -6.0073 -6.0059 -5.9839 -5.9838 -5.2810 -5.2808 -5.0149 -5.0119 -4.7739 -4.7718 -4.6897 -4.6897 -1.0539 -1.0539 -0.9928 -0.9925 -0.5130 -0.5116 -0.4374 -0.4373 -0.3681 -0.3655 -0.2109 -0.2094 6.2786 6.2791 6.3630 6.3630 7.1903 7.1913 7.8504 7.8521 8.4214 8.4219 k = 0.2875 0.2875 0.6000 ( 5490 PWs) bands (ev): -20.5471 -20.5471 -20.5027 -20.5027 -17.4422 -17.4421 -17.3184 -17.3183 -15.9725 -15.9725 -15.9564 -15.9564 -9.4017 -9.4016 -9.3248 -9.3247 -7.9139 -7.9138 -7.9080 -7.9079 -7.1326 -7.1319 -7.0817 -7.0815 -6.0069 -6.0058 -5.9825 -5.9825 -5.2826 -5.2824 -4.9981 -4.9954 -4.7834 -4.7813 -4.6895 -4.6894 -1.0550 -1.0549 -0.9922 -0.9920 -0.5216 -0.5199 -0.4366 -0.4366 -0.3778 -0.3750 -0.2092 -0.2076 6.2812 6.2816 6.3715 6.3716 7.1346 7.1356 7.8111 7.8129 8.4367 8.4372 k = 0.2750 0.2750 0.6000 ( 5490 PWs) bands (ev): -20.5494 -20.5493 -20.5005 -20.5005 -17.4487 -17.4486 -17.3126 -17.3125 -15.9720 -15.9720 -15.9554 -15.9554 -9.4064 -9.4063 -9.3223 -9.3222 -7.9128 -7.9128 -7.9068 -7.9066 -7.1348 -7.1342 -7.0810 -7.0807 -6.0063 -6.0055 -5.9812 -5.9811 -5.2839 -5.2837 -4.9841 -4.9819 -4.7917 -4.7899 -4.6892 -4.6891 -1.0549 -1.0548 -0.9915 -0.9912 -0.5310 -0.5291 -0.4358 -0.4357 -0.3869 -0.3838 -0.2079 -0.2064 6.2844 6.2848 6.3801 6.3802 7.0805 7.0816 7.7715 7.7734 8.4532 8.4538 k = 0.2625 0.2625 0.6000 ( 5498 PWs) bands (ev): -20.5516 -20.5516 -20.4982 -20.4982 -17.4552 -17.4552 -17.3066 -17.3066 -15.9715 -15.9715 -15.9545 -15.9545 -9.4110 -9.4109 -9.3197 -9.3195 -7.9118 -7.9118 -7.9056 -7.9055 -7.1367 -7.1362 -7.0801 -7.0799 -6.0055 -6.0050 -5.9798 -5.9797 -5.2849 -5.2847 -4.9739 -4.9724 -4.7980 -4.7967 -4.6889 -4.6888 -1.0537 -1.0535 -0.9905 -0.9902 -0.5412 -0.5393 -0.4349 -0.4348 -0.3950 -0.3918 -0.2071 -0.2055 6.2882 6.2885 6.3888 6.3888 7.0282 7.0293 7.7318 7.7338 8.4710 8.4716 k = 0.2500 0.2500 0.6000 ( 5502 PWs) bands (ev): -20.5539 -20.5539 -20.4960 -20.4960 -17.4617 -17.4616 -17.3006 -17.3005 -15.9709 -15.9709 -15.9539 -15.9539 -9.4154 -9.4153 -9.3169 -9.3168 -7.9107 -7.9107 -7.9046 -7.9044 -7.1382 -7.1377 -7.0791 -7.0789 -6.0044 -6.0043 -5.9784 -5.9784 -5.2856 -5.2855 -4.9686 -4.9680 -4.8012 -4.8004 -4.6885 -4.6885 -1.0511 -1.0510 -0.9893 -0.9889 -0.5524 -0.5503 -0.4339 -0.4339 -0.4021 -0.3989 -0.2068 -0.2052 6.2926 6.2929 6.3973 6.3974 6.9777 6.9788 7.6923 7.6943 8.4901 8.4907 k = 0.2375 0.2375 0.6000 ( 5502 PWs) bands (ev): -20.5562 -20.5562 -20.4937 -20.4937 -17.4681 -17.4680 -17.2944 -17.2944 -15.9704 -15.9704 -15.9535 -15.9535 -9.4197 -9.4195 -9.3140 -9.3139 -7.9097 -7.9097 -7.9035 -7.9034 -7.1393 -7.1388 -7.0780 -7.0777 -6.0033 -6.0031 -5.9770 -5.9769 -5.2861 -5.2860 -4.9694 -4.9691 -4.8006 -4.8005 -4.6881 -4.6881 -1.0474 -1.0472 -0.9878 -0.9874 -0.5645 -0.5623 -0.4329 -0.4329 -0.4082 -0.4049 -0.2069 -0.2053 6.2977 6.2979 6.4058 6.4059 6.9291 6.9303 7.6532 7.6552 8.5104 8.5110 k = 0.2250 0.2250 0.6000 ( 5498 PWs) bands (ev): -20.5585 -20.5585 -20.4915 -20.4915 -17.4744 -17.4743 -17.2883 -17.2883 -15.9699 -15.9699 -15.9533 -15.9533 -9.4237 -9.4236 -9.3110 -9.3109 -7.9087 -7.9087 -7.9026 -7.9025 -7.1399 -7.1395 -7.0766 -7.0763 -6.0022 -6.0016 -5.9756 -5.9756 -5.2863 -5.2862 -4.9765 -4.9754 -4.7968 -4.7963 -4.6878 -4.6878 -1.0424 -1.0422 -0.9859 -0.9855 -0.5774 -0.5752 -0.4318 -0.4318 -0.4131 -0.4098 -0.2075 -0.2059 6.3033 6.3034 6.4142 6.4142 6.8824 6.8837 7.6146 7.6166 8.5321 8.5327 k = 0.2125 0.2125 0.6000 ( 5504 PWs) bands (ev): -20.5607 -20.5607 -20.4893 -20.4893 -17.4805 -17.4805 -17.2822 -17.2821 -15.9694 -15.9694 -15.9533 -15.9533 -9.4276 -9.4274 -9.3080 -9.3078 -7.9077 -7.9076 -7.9018 -7.9016 -7.1403 -7.1399 -7.0751 -7.0748 -6.0007 -5.9999 -5.9742 -5.9742 -5.2862 -5.2861 -4.9885 -4.9867 -4.7900 -4.7891 -4.6874 -4.6874 -1.0364 -1.0361 -0.9838 -0.9834 -0.5911 -0.5889 -0.4308 -0.4307 -0.4169 -0.4137 -0.2085 -0.2070 6.3095 6.3095 6.4223 6.4223 6.8378 6.8391 7.5767 7.5787 8.5550 8.5557 k = 0.2000 0.2000 0.6000 ( 5508 PWs) bands (ev): -20.5629 -20.5629 -20.4871 -20.4871 -17.4865 -17.4865 -17.2761 -17.2760 -15.9689 -15.9689 -15.9535 -15.9535 -9.4312 -9.4311 -9.3048 -9.3047 -7.9067 -7.9067 -7.9010 -7.9009 -7.1402 -7.1399 -7.0734 -7.0731 -5.9991 -5.9979 -5.9728 -5.9728 -5.2858 -5.2858 -5.0042 -5.0019 -4.7813 -4.7801 -4.6869 -4.6869 -1.0293 -1.0290 -0.9813 -0.9809 -0.6053 -0.6031 -0.4297 -0.4295 -0.4197 -0.4166 -0.2100 -0.2084 6.3161 6.3162 6.4302 6.4303 6.7953 6.7967 7.5396 7.5416 8.5793 8.5800 k = 0.1875 0.1875 0.6000 ( 5500 PWs) bands (ev): -20.5651 -20.5651 -20.4850 -20.4849 -17.4923 -17.4922 -17.2700 -17.2700 -15.9684 -15.9684 -15.9538 -15.9538 -9.4346 -9.4345 -9.3016 -9.3015 -7.9057 -7.9057 -7.9004 -7.9002 -7.1399 -7.1396 -7.0716 -7.0712 -5.9971 -5.9957 -5.9715 -5.9715 -5.2853 -5.2852 -5.0225 -5.0198 -4.7714 -4.7700 -4.6865 -4.6865 -1.0213 -1.0211 -0.9785 -0.9780 -0.6200 -0.6178 -0.4287 -0.4284 -0.4214 -0.4186 -0.2119 -0.2103 6.3230 6.3233 6.4379 6.4379 6.7551 6.7566 7.5036 7.5055 8.6048 8.6055 k = 0.1750 0.1750 0.6000 ( 5500 PWs) bands (ev): -20.5672 -20.5671 -20.4829 -20.4829 -17.4978 -17.4978 -17.2642 -17.2641 -15.9679 -15.9679 -15.9544 -15.9544 -9.4378 -9.4376 -9.2985 -9.2983 -7.9048 -7.9047 -7.8998 -7.8997 -7.1393 -7.1391 -7.0696 -7.0692 -5.9949 -5.9932 -5.9702 -5.9702 -5.2845 -5.2844 -5.0426 -5.0397 -4.7612 -4.7597 -4.6861 -4.6861 -1.0127 -1.0124 -0.9753 -0.9748 -0.6350 -0.6329 -0.4279 -0.4273 -0.4221 -0.4197 -0.2141 -0.2126 6.3303 6.3307 6.4452 6.4452 6.7172 6.7189 7.4686 7.4706 8.6314 8.6322 k = 0.1625 0.1625 0.6000 ( 5500 PWs) bands (ev): -20.5691 -20.5691 -20.4809 -20.4809 -17.5031 -17.5030 -17.2584 -17.2584 -15.9674 -15.9674 -15.9550 -15.9550 -9.4407 -9.4405 -9.2953 -9.2951 -7.9039 -7.9038 -7.8993 -7.8992 -7.1385 -7.1383 -7.0675 -7.0670 -5.9925 -5.9906 -5.9690 -5.9690 -5.2836 -5.2835 -5.0638 -5.0608 -4.7510 -4.7496 -4.6857 -4.6856 -1.0035 -1.0032 -0.9718 -0.9712 -0.6501 -0.6482 -0.4273 -0.4263 -0.4220 -0.4200 -0.2167 -0.2152 6.3377 6.3382 6.4522 6.4522 6.6818 6.6836 7.4350 7.4369 8.6592 8.6600 k = 0.1500 0.1500 0.6000 ( 5512 PWs) bands (ev): -20.5710 -20.5710 -20.4790 -20.4790 -17.5080 -17.5080 -17.2529 -17.2529 -15.9670 -15.9670 -15.9558 -15.9558 -9.4434 -9.4432 -9.2922 -9.2920 -7.9030 -7.9030 -7.8989 -7.8988 -7.1375 -7.1373 -7.0652 -7.0648 -5.9899 -5.9878 -5.9678 -5.9678 -5.2825 -5.2824 -5.0857 -5.0826 -4.7412 -4.7398 -4.6852 -4.6852 -0.9939 -0.9937 -0.9678 -0.9672 -0.6653 -0.6634 -0.4267 -0.4254 -0.4211 -0.4197 -0.2195 -0.2180 6.3450 6.3458 6.4588 6.4588 6.6491 6.6510 7.4027 7.4046 8.6879 8.6888 k = 0.1375 0.1375 0.6000 ( 5528 PWs) bands (ev): -20.5728 -20.5728 -20.4773 -20.4772 -17.5127 -17.5127 -17.2477 -17.2477 -15.9666 -15.9666 -15.9567 -15.9567 -9.4458 -9.4457 -9.2891 -9.2890 -7.9022 -7.9022 -7.8986 -7.8985 -7.1364 -7.1362 -7.0629 -7.0624 -5.9871 -5.9848 -5.9667 -5.9667 -5.2814 -5.2812 -5.1077 -5.1046 -4.7320 -4.7307 -4.6848 -4.6848 -0.9843 -0.9840 -0.9634 -0.9628 -0.6804 -0.6786 -0.4259 -0.4245 -0.4200 -0.4188 -0.2226 -0.2211 6.3521 6.3531 6.4650 6.4650 6.6191 6.6213 7.3721 7.3738 8.7069 8.7079 k = 0.1250 0.1250 0.6000 ( 5530 PWs) bands (ev): -20.5745 -20.5745 -20.4756 -20.4756 -17.5170 -17.5170 -17.2427 -17.2427 -15.9662 -15.9662 -15.9577 -15.9577 -9.4480 -9.4479 -9.2862 -9.2861 -7.9015 -7.9015 -7.8984 -7.8983 -7.1352 -7.1351 -7.0605 -7.0600 -5.9841 -5.9817 -5.9657 -5.9656 -5.2803 -5.2800 -5.1294 -5.1263 -4.7234 -4.7222 -4.6844 -4.6844 -0.9747 -0.9745 -0.9587 -0.9579 -0.6953 -0.6936 -0.4249 -0.4234 -0.4186 -0.4177 -0.2258 -0.2244 6.3587 6.3599 6.4707 6.4707 6.5923 6.5946 7.3431 7.3448 8.6962 8.6970 k = 0.1125 0.1125 0.6000 ( 5526 PWs) bands (ev): -20.5760 -20.5760 -20.4740 -20.4740 -17.5210 -17.5210 -17.2381 -17.2381 -15.9659 -15.9659 -15.9586 -15.9586 -9.4500 -9.4499 -9.2834 -9.2833 -7.9008 -7.9008 -7.8981 -7.8981 -7.1339 -7.1339 -7.0581 -7.0576 -5.9810 -5.9786 -5.9647 -5.9647 -5.2791 -5.2788 -5.1505 -5.1475 -4.7156 -4.7145 -4.6840 -4.6840 -0.9655 -0.9653 -0.9534 -0.9526 -0.7097 -0.7081 -0.4236 -0.4223 -0.4172 -0.4163 -0.2290 -0.2277 6.3646 6.3660 6.4760 6.4760 6.5686 6.5711 7.3161 7.3177 8.6846 8.6852 k = 0.1000 0.1000 0.6000 ( 5524 PWs) bands (ev): -20.5775 -20.5774 -20.4726 -20.4726 -17.5246 -17.5246 -17.2338 -17.2338 -15.9656 -15.9656 -15.9596 -15.9596 -9.4517 -9.4516 -9.2808 -9.2807 -7.9001 -7.9001 -7.8980 -7.8979 -7.1327 -7.1327 -7.0557 -7.0553 -5.9778 -5.9754 -5.9638 -5.9638 -5.2781 -5.2777 -5.1704 -5.1676 -4.7086 -4.7077 -4.6836 -4.6836 -0.9569 -0.9568 -0.9478 -0.9469 -0.7237 -0.7222 -0.4222 -0.4210 -0.4157 -0.4149 -0.2322 -0.2310 6.3693 6.3709 6.4808 6.4808 6.5485 6.5511 7.2912 7.2927 8.6725 8.6731 k = 0.0875 0.0875 0.6000 ( 5528 PWs) bands (ev): -20.5787 -20.5787 -20.4714 -20.4714 -17.5278 -17.5278 -17.2300 -17.2300 -15.9653 -15.9653 -15.9606 -15.9606 -9.4533 -9.4532 -9.2784 -9.2783 -7.8996 -7.8996 -7.8979 -7.8978 -7.1316 -7.1315 -7.0534 -7.0530 -5.9746 -5.9723 -5.9630 -5.9630 -5.2772 -5.2767 -5.1889 -5.1864 -4.7025 -4.7017 -4.6833 -4.6832 -0.9492 -0.9491 -0.9416 -0.9407 -0.7370 -0.7356 -0.4208 -0.4197 -0.4143 -0.4135 -0.2354 -0.2342 6.3726 6.3744 6.4850 6.4851 6.5321 6.5348 7.2685 7.2699 8.6605 8.6610 k = 0.0750 0.0750 0.6000 ( 5548 PWs) bands (ev): -20.5798 -20.5798 -20.4703 -20.4703 -17.5306 -17.5306 -17.2266 -17.2266 -15.9650 -15.9650 -15.9615 -15.9615 -9.4546 -9.4545 -9.2763 -9.2762 -7.8991 -7.8991 -7.8978 -7.8978 -7.1305 -7.1305 -7.0513 -7.0509 -5.9715 -5.9694 -5.9623 -5.9623 -5.2765 -5.2760 -5.2055 -5.2033 -4.6972 -4.6965 -4.6830 -4.6828 -0.9424 -0.9424 -0.9352 -0.9343 -0.7494 -0.7482 -0.4193 -0.4184 -0.4129 -0.4122 -0.2384 -0.2373 6.3743 6.3761 6.4888 6.4888 6.5196 6.5222 7.2483 7.2495 8.6490 8.6494 k = 0.0625 0.0625 0.6000 ( 5556 PWs) bands (ev): -20.5808 -20.5808 -20.4693 -20.4693 -17.5330 -17.5330 -17.2236 -17.2236 -15.9648 -15.9648 -15.9623 -15.9623 -9.4557 -9.4556 -9.2744 -9.2744 -7.8987 -7.8987 -7.8978 -7.8977 -7.1296 -7.1296 -7.0493 -7.0490 -5.9686 -5.9667 -5.9617 -5.9617 -5.2763 -5.2757 -5.2198 -5.2180 -4.6927 -4.6922 -4.6827 -4.6825 -0.9364 -0.9364 -0.9289 -0.9281 -0.7608 -0.7597 -0.4179 -0.4172 -0.4116 -0.4109 -0.2411 -0.2402 6.3745 6.3763 6.4920 6.4920 6.5106 6.5131 7.2308 7.2319 8.6385 8.6388 k = 0.0500 0.0500 0.6000 ( 5560 PWs) bands (ev): -20.5816 -20.5816 -20.4685 -20.4685 -17.5350 -17.5350 -17.2212 -17.2212 -15.9646 -15.9646 -15.9630 -15.9630 -9.4566 -9.4565 -9.2729 -9.2728 -7.8984 -7.8983 -7.8978 -7.8977 -7.1288 -7.1288 -7.0477 -7.0474 -5.9660 -5.9644 -5.9612 -5.9612 -5.2764 -5.2758 -5.2314 -5.2302 -4.6891 -4.6888 -4.6824 -4.6821 -0.9311 -0.9311 -0.9232 -0.9226 -0.7709 -0.7699 -0.4166 -0.4161 -0.4104 -0.4098 -0.2434 -0.2427 6.3736 6.3752 6.4946 6.4946 6.5049 6.5070 7.2162 7.2170 8.6294 8.6296 k = 0.0375 0.0375 0.6000 ( 5566 PWs) bands (ev): -20.5822 -20.5822 -20.4679 -20.4679 -17.5366 -17.5366 -17.2193 -17.2193 -15.9645 -15.9645 -15.9635 -15.9635 -9.4573 -9.4572 -9.2716 -9.2716 -7.8981 -7.8981 -7.8978 -7.8977 -7.1281 -7.1281 -7.0463 -7.0461 -5.9638 -5.9626 -5.9608 -5.9608 -5.2771 -5.2764 -5.2402 -5.2394 -4.6864 -4.6863 -4.6820 -4.6817 -0.9267 -0.9267 -0.9185 -0.9179 -0.7793 -0.7786 -0.4156 -0.4152 -0.4094 -0.4089 -0.2453 -0.2447 6.3721 6.3733 6.4967 6.4967 6.5016 6.5032 7.2046 7.2053 8.6219 8.6221 k = 0.0250 0.0250 0.6000 ( 5568 PWs) bands (ev): -20.5826 -20.5826 -20.4675 -20.4675 -17.5377 -17.5377 -17.2179 -17.2179 -15.9644 -15.9644 -15.9640 -15.9640 -9.4577 -9.4577 -9.2707 -9.2707 -7.8979 -7.8979 -7.8977 -7.8977 -7.1277 -7.1277 -7.0453 -7.0451 -5.9622 -5.9613 -5.9605 -5.9605 -5.2781 -5.2775 -5.2460 -5.2456 -4.6847 -4.6847 -4.6815 -4.6813 -0.9233 -0.9233 -0.9148 -0.9144 -0.7857 -0.7852 -0.4148 -0.4145 -0.4086 -0.4082 -0.2467 -0.2463 6.3706 6.3714 6.4981 6.4982 6.4999 6.5010 7.1962 7.1967 8.6164 8.6165 k = 0.0125 0.0125 0.6000 ( 5568 PWs) bands (ev): -20.5829 -20.5829 -20.4672 -20.4672 -17.5383 -17.5383 -17.2170 -17.2170 -15.9643 -15.9643 -15.9642 -15.9642 -9.4580 -9.4580 -9.2702 -9.2702 -7.8978 -7.8978 -7.8977 -7.8977 -7.1274 -7.1274 -7.0446 -7.0445 -5.9611 -5.9608 -5.9602 -5.9601 -5.2790 -5.2786 -5.2492 -5.2490 -4.6839 -4.6839 -4.6810 -4.6808 -0.9211 -0.9211 -0.9124 -0.9122 -0.7897 -0.7895 -0.4143 -0.4141 -0.4080 -0.4078 -0.2475 -0.2473 6.3695 6.3699 6.4990 6.4990 6.4994 6.4999 7.1912 7.1914 8.6130 8.6131 k = 0.0000 0.0000 0.6000 ( 5572 PWs) bands (ev): -20.5830 -20.5830 -20.4671 -20.4671 -17.5386 -17.5386 -17.2168 -17.2168 -15.9643 -15.9643 -15.9643 -15.9643 -9.4581 -9.4581 -9.2700 -9.2700 -7.8978 -7.8978 -7.8977 -7.8977 -7.1273 -7.1273 -7.0444 -7.0444 -5.9607 -5.9607 -5.9600 -5.9600 -5.2792 -5.2792 -5.2501 -5.2501 -4.6837 -4.6837 -4.6807 -4.6807 -0.9204 -0.9204 -0.9115 -0.9115 -0.7910 -0.7910 -0.4141 -0.4141 -0.4078 -0.4078 -0.2477 -0.2477 6.3693 6.3693 6.4992 6.4992 6.4994 6.4994 7.1896 7.1896 8.6119 8.6119 k = 0.0000 0.5000-0.0000 ( 5516 PWs) bands (ev): -20.6140 -20.6140 -20.6140 -20.6140 -17.1288 -17.1288 -17.1288 -17.1288 -15.9910 -15.9910 -15.9910 -15.9910 -9.6195 -9.6195 -9.6191 -9.6191 -8.1302 -8.1302 -8.1284 -8.1284 -7.6014 -7.6014 -7.5996 -7.5996 -5.6999 -5.6999 -5.6979 -5.6979 -4.9443 -4.9443 -4.9436 -4.9436 -3.9164 -3.9164 -3.9161 -3.9161 -1.1322 -1.1322 -1.1317 -1.1317 -0.7532 -0.7532 -0.7530 -0.7530 -0.3398 -0.3398 -0.3391 -0.3391 5.7836 5.7836 5.7839 5.7839 6.7082 6.7082 6.7083 6.7083 8.9082 8.9084 k = 0.0000 0.5000 0.0176 ( 5512 PWs) bands (ev): -20.6138 -20.6138 -20.6138 -20.6138 -17.1294 -17.1294 -17.1294 -17.1294 -15.9909 -15.9909 -15.9909 -15.9909 -9.6189 -9.6189 -9.6184 -9.6184 -8.1290 -8.1290 -8.1272 -8.1272 -7.6020 -7.6020 -7.6001 -7.6001 -5.7000 -5.7000 -5.6980 -5.6980 -4.9443 -4.9443 -4.9436 -4.9436 -3.9183 -3.9183 -3.9179 -3.9179 -1.1309 -1.1309 -1.1304 -1.1304 -0.7540 -0.7540 -0.7536 -0.7536 -0.3397 -0.3397 -0.3390 -0.3390 5.7847 5.7847 5.7850 5.7850 6.7096 6.7096 6.7097 6.7097 8.9086 8.9087 k = 0.0000 0.5000 0.0353 ( 5500 PWs) bands (ev): -20.6133 -20.6133 -20.6132 -20.6132 -17.1311 -17.1311 -17.1310 -17.1310 -15.9906 -15.9906 -15.9906 -15.9906 -9.6170 -9.6170 -9.6165 -9.6165 -8.1254 -8.1254 -8.1236 -8.1236 -7.6036 -7.6036 -7.6018 -7.6018 -5.7004 -5.7004 -5.6984 -5.6984 -4.9443 -4.9443 -4.9436 -4.9436 -3.9238 -3.9238 -3.9233 -3.9233 -1.1271 -1.1271 -1.1264 -1.1264 -0.7561 -0.7561 -0.7554 -0.7554 -0.3396 -0.3396 -0.3389 -0.3389 5.7879 5.7879 5.7883 5.7883 6.7136 6.7136 6.7138 6.7138 8.9093 8.9097 k = 0.0000 0.5000 0.0529 ( 5500 PWs) bands (ev): -20.6124 -20.6124 -20.6124 -20.6124 -17.1338 -17.1338 -17.1338 -17.1338 -15.9902 -15.9902 -15.9902 -15.9902 -9.6138 -9.6138 -9.6134 -9.6134 -8.1195 -8.1195 -8.1177 -8.1177 -7.6063 -7.6063 -7.6044 -7.6044 -5.7010 -5.7010 -5.6991 -5.6991 -4.9444 -4.9444 -4.9436 -4.9436 -3.9330 -3.9330 -3.9324 -3.9324 -1.1207 -1.1207 -1.1199 -1.1199 -0.7595 -0.7595 -0.7585 -0.7585 -0.3394 -0.3394 -0.3386 -0.3386 5.7933 5.7933 5.7937 5.7937 6.7203 6.7203 6.7205 6.7205 8.9105 8.9111 k = 0.0000 0.5000 0.0706 ( 5500 PWs) bands (ev): -20.6111 -20.6111 -20.6111 -20.6111 -17.1377 -17.1377 -17.1377 -17.1377 -15.9896 -15.9896 -15.9896 -15.9896 -9.6095 -9.6095 -9.6091 -9.6091 -8.1112 -8.1112 -8.1094 -8.1094 -7.6100 -7.6100 -7.6081 -7.6081 -5.7020 -5.7020 -5.7000 -5.7000 -4.9445 -4.9445 -4.9436 -4.9436 -3.9457 -3.9457 -3.9450 -3.9450 -1.1119 -1.1119 -1.1108 -1.1108 -0.7642 -0.7642 -0.7628 -0.7628 -0.3391 -0.3391 -0.3382 -0.3382 5.8009 5.8009 5.8013 5.8013 6.7297 6.7297 6.7299 6.7299 8.9122 8.9128 k = 0.0000 0.5000 0.0882 ( 5508 PWs) bands (ev): -20.6096 -20.6096 -20.6095 -20.6095 -17.1426 -17.1426 -17.1426 -17.1426 -15.9889 -15.9889 -15.9889 -15.9889 -9.6041 -9.6041 -9.6037 -9.6037 -8.1007 -8.1007 -8.0988 -8.0988 -7.6147 -7.6147 -7.6128 -7.6128 -5.7033 -5.7033 -5.7013 -5.7013 -4.9446 -4.9446 -4.9437 -4.9437 -3.9620 -3.9620 -3.9611 -3.9611 -1.1007 -1.1007 -1.0993 -1.0993 -0.7701 -0.7701 -0.7683 -0.7683 -0.3387 -0.3387 -0.3378 -0.3378 5.8105 5.8105 5.8109 5.8109 6.7415 6.7415 6.7417 6.7417 8.9142 8.9148 k = 0.0000 0.5000 0.1059 ( 5520 PWs) bands (ev): -20.6076 -20.6076 -20.6076 -20.6076 -17.1485 -17.1485 -17.1485 -17.1485 -15.9880 -15.9880 -15.9880 -15.9880 -9.5976 -9.5976 -9.5972 -9.5972 -8.0878 -8.0878 -8.0858 -8.0858 -7.6203 -7.6203 -7.6183 -7.6183 -5.7049 -5.7049 -5.7029 -5.7029 -4.9448 -4.9448 -4.9437 -4.9437 -3.9816 -3.9816 -3.9806 -3.9806 -1.0873 -1.0873 -1.0856 -1.0856 -0.7771 -0.7771 -0.7749 -0.7749 -0.3382 -0.3382 -0.3372 -0.3372 5.8220 5.8220 5.8225 5.8225 6.7557 6.7557 6.7560 6.7560 8.9166 8.9169 k = 0.0000 0.5000 0.1235 ( 5516 PWs) bands (ev): -20.6054 -20.6054 -20.6054 -20.6054 -17.1554 -17.1554 -17.1553 -17.1553 -15.9870 -15.9870 -15.9870 -15.9870 -9.5901 -9.5901 -9.5897 -9.5897 -8.0726 -8.0726 -8.0706 -8.0706 -7.6265 -7.6265 -7.6245 -7.6245 -5.7069 -5.7069 -5.7049 -5.7049 -4.9450 -4.9450 -4.9438 -4.9438 -4.0044 -4.0044 -4.0033 -4.0033 -1.0717 -1.0717 -1.0697 -1.0697 -0.7851 -0.7851 -0.7825 -0.7825 -0.3376 -0.3376 -0.3365 -0.3365 5.8355 5.8355 5.8361 5.8361 6.7721 6.7721 6.7725 6.7725 8.9186 8.9196 k = 0.0000 0.5000 0.1412 ( 5520 PWs) bands (ev): -20.6029 -20.6029 -20.6029 -20.6029 -17.1631 -17.1631 -17.1631 -17.1631 -15.9859 -15.9859 -15.9858 -15.9858 -9.5818 -9.5818 -9.5814 -9.5814 -8.0553 -8.0553 -8.0532 -8.0532 -7.6335 -7.6335 -7.6313 -7.6313 -5.7093 -5.7093 -5.7073 -5.7073 -4.9453 -4.9453 -4.9439 -4.9439 -4.0304 -4.0304 -4.0291 -4.0291 -1.0544 -1.0544 -1.0518 -1.0518 -0.7941 -0.7941 -0.7908 -0.7908 -0.3368 -0.3368 -0.3356 -0.3356 5.8508 5.8508 5.8514 5.8514 6.7906 6.7906 6.7910 6.7910 8.9206 8.9216 k = 0.0000 0.5000 0.1588 ( 5532 PWs) bands (ev): -20.6001 -20.6001 -20.6001 -20.6001 -17.1716 -17.1716 -17.1716 -17.1716 -15.9846 -15.9846 -15.9846 -15.9846 -9.5726 -9.5726 -9.5722 -9.5722 -8.0359 -8.0359 -8.0337 -8.0337 -7.6408 -7.6408 -7.6386 -7.6386 -5.7122 -5.7122 -5.7101 -5.7101 -4.9456 -4.9456 -4.9441 -4.9441 -4.0592 -4.0592 -4.0578 -4.0578 -1.0354 -1.0354 -1.0322 -1.0322 -0.8037 -0.8037 -0.7998 -0.7998 -0.3359 -0.3359 -0.3347 -0.3347 5.8678 5.8678 5.8684 5.8684 6.8110 6.8110 6.8115 6.8115 8.9221 8.9224 k = 0.0000 0.5000 0.1765 ( 5512 PWs) bands (ev): -20.5971 -20.5971 -20.5970 -20.5970 -17.1809 -17.1809 -17.1809 -17.1809 -15.9832 -15.9832 -15.9832 -15.9832 -9.5628 -9.5628 -9.5624 -9.5624 -8.0146 -8.0146 -8.0123 -8.0123 -7.6484 -7.6484 -7.6460 -7.6460 -5.7155 -5.7155 -5.7135 -5.7135 -4.9459 -4.9459 -4.9443 -4.9443 -4.0907 -4.0907 -4.0892 -4.0892 -1.0152 -1.0152 -1.0112 -1.0112 -0.8139 -0.8139 -0.8091 -0.8091 -0.3349 -0.3349 -0.3335 -0.3335 5.8864 5.8864 5.8871 5.8871 6.8331 6.8331 6.8336 6.8336 8.9226 8.9227 k = 0.0000 0.5000 0.1941 ( 5512 PWs) bands (ev): -20.5938 -20.5938 -20.5938 -20.5938 -17.1909 -17.1909 -17.1908 -17.1908 -15.9818 -15.9818 -15.9817 -15.9817 -9.5525 -9.5525 -9.5521 -9.5521 -7.9916 -7.9916 -7.9891 -7.9891 -7.6559 -7.6559 -7.6534 -7.6534 -5.7194 -5.7194 -5.7174 -5.7174 -4.9464 -4.9464 -4.9446 -4.9446 -4.1247 -4.1247 -4.1230 -4.1230 -0.9943 -0.9943 -0.9893 -0.9893 -0.8242 -0.8242 -0.8182 -0.8182 -0.3337 -0.3337 -0.3323 -0.3323 5.9064 5.9064 5.9071 5.9071 6.8566 6.8566 6.8572 6.8572 8.9219 8.9222 k = 0.0000 0.5000 0.2118 ( 5508 PWs) bands (ev): -20.5903 -20.5903 -20.5903 -20.5903 -17.2013 -17.2013 -17.2013 -17.2013 -15.9802 -15.9802 -15.9802 -15.9802 -9.5417 -9.5417 -9.5413 -9.5413 -7.9673 -7.9673 -7.9646 -7.9646 -7.6629 -7.6629 -7.6602 -7.6602 -5.7240 -5.7240 -5.7219 -5.7219 -4.9470 -4.9470 -4.9450 -4.9450 -4.1608 -4.1608 -4.1590 -4.1590 -0.9737 -0.9737 -0.9671 -0.9671 -0.8341 -0.8341 -0.8264 -0.8264 -0.3323 -0.3323 -0.3309 -0.3309 5.9277 5.9277 5.9285 5.9285 6.8815 6.8815 6.8821 6.8821 8.9191 8.9210 k = 0.0000 0.5000 0.2294 ( 5502 PWs) bands (ev): -20.5866 -20.5866 -20.5866 -20.5866 -17.2123 -17.2123 -17.2123 -17.2123 -15.9786 -15.9786 -15.9786 -15.9786 -9.5306 -9.5306 -9.5302 -9.5302 -7.9422 -7.9422 -7.9393 -7.9393 -7.6688 -7.6688 -7.6659 -7.6659 -5.7292 -5.7292 -5.7271 -5.7271 -4.9476 -4.9476 -4.9455 -4.9455 -4.1989 -4.1989 -4.1969 -4.1969 -0.9548 -0.9548 -0.9461 -0.9461 -0.8421 -0.8421 -0.8323 -0.8323 -0.3308 -0.3308 -0.3293 -0.3293 5.9502 5.9502 5.9510 5.9510 6.9074 6.9074 6.9081 6.9081 8.9142 8.9158 k = 0.0000 0.5000 0.2471 ( 5506 PWs) bands (ev): -20.5828 -20.5828 -20.5828 -20.5828 -17.2237 -17.2237 -17.2236 -17.2236 -15.9770 -15.9770 -15.9769 -15.9769 -9.5193 -9.5193 -9.5190 -9.5190 -7.9172 -7.9172 -7.9140 -7.9140 -7.6728 -7.6728 -7.6696 -7.6696 -5.7353 -5.7353 -5.7332 -5.7332 -4.9484 -4.9484 -4.9462 -4.9462 -4.2385 -4.2385 -4.2364 -4.2364 -0.9402 -0.9402 -0.9294 -0.9294 -0.8454 -0.8454 -0.8334 -0.8334 -0.3292 -0.3292 -0.3275 -0.3275 5.9737 5.9737 5.9746 5.9746 6.9342 6.9342 6.9349 6.9349 8.9067 8.9074 k = 0.0000 0.5000 0.2647 ( 5514 PWs) bands (ev): -20.5788 -20.5788 -20.5788 -20.5788 -17.2353 -17.2353 -17.2353 -17.2353 -15.9753 -15.9753 -15.9753 -15.9753 -9.5080 -9.5080 -9.5076 -9.5076 -7.8935 -7.8935 -7.8901 -7.8901 -7.6735 -7.6735 -7.6700 -7.6700 -5.7422 -5.7422 -5.7401 -5.7401 -4.9494 -4.9494 -4.9470 -4.9470 -4.2795 -4.2795 -4.2772 -4.2772 -0.9327 -0.9327 -0.9214 -0.9214 -0.8395 -0.8395 -0.8269 -0.8269 -0.3274 -0.3274 -0.3257 -0.3257 5.9980 5.9980 5.9989 5.9989 6.9616 6.9616 6.9624 6.9624 8.8952 8.8960 k = 0.0000 0.5000 0.2824 ( 5510 PWs) bands (ev): -20.5748 -20.5748 -20.5748 -20.5748 -17.2471 -17.2471 -17.2471 -17.2471 -15.9736 -15.9736 -15.9736 -15.9736 -9.4967 -9.4967 -9.4963 -9.4963 -7.8728 -7.8728 -7.8692 -7.8692 -7.6692 -7.6692 -7.6655 -7.6655 -5.7501 -5.7501 -5.7480 -5.7480 -4.9506 -4.9506 -4.9479 -4.9479 -4.3213 -4.3213 -4.3189 -4.3189 -0.9331 -0.9331 -0.9233 -0.9233 -0.8235 -0.8235 -0.8123 -0.8123 -0.3254 -0.3254 -0.3236 -0.3236 6.0230 6.0230 6.0239 6.0239 6.9895 6.9895 6.9903 6.9903 8.8800 8.8814 k = 0.0000 0.5000 0.3000 ( 5498 PWs) bands (ev): -20.5707 -20.5707 -20.5707 -20.5707 -17.2590 -17.2590 -17.2590 -17.2590 -15.9719 -15.9719 -15.9718 -15.9718 -9.4855 -9.4855 -9.4851 -9.4851 -7.8569 -7.8569 -7.8534 -7.8534 -7.6580 -7.6580 -7.6543 -7.6543 -5.7590 -5.7590 -5.7569 -5.7569 -4.9520 -4.9520 -4.9491 -4.9491 -4.3636 -4.3636 -4.3610 -4.3610 -0.9391 -0.9391 -0.9313 -0.9313 -0.8012 -0.8012 -0.7919 -0.7919 -0.3233 -0.3233 -0.3214 -0.3214 6.0485 6.0485 6.0494 6.0494 7.0176 7.0176 7.0185 7.0185 8.8606 8.8615 k = 0.0000 0.5000 0.3177 ( 5496 PWs) bands (ev): -20.5666 -20.5666 -20.5666 -20.5666 -17.2709 -17.2709 -17.2709 -17.2709 -15.9702 -15.9702 -15.9701 -15.9701 -9.4745 -9.4745 -9.4742 -9.4742 -7.8470 -7.8470 -7.8437 -7.8437 -7.6388 -7.6388 -7.6354 -7.6354 -5.7691 -5.7691 -5.7670 -5.7670 -4.9537 -4.9537 -4.9506 -4.9506 -4.4060 -4.4060 -4.4032 -4.4032 -0.9483 -0.9483 -0.9421 -0.9421 -0.7762 -0.7762 -0.7684 -0.7684 -0.3210 -0.3210 -0.3190 -0.3190 6.0743 6.0743 6.0752 6.0752 7.0458 7.0458 7.0467 7.0467 8.8372 8.8396 k = 0.0000 0.5000 0.3353 ( 5504 PWs) bands (ev): -20.5625 -20.5625 -20.5625 -20.5625 -17.2826 -17.2826 -17.2826 -17.2826 -15.9685 -15.9685 -15.9685 -15.9685 -9.4638 -9.4638 -9.4635 -9.4635 -7.8427 -7.8427 -7.8399 -7.8399 -7.6121 -7.6121 -7.6091 -7.6091 -5.7805 -5.7805 -5.7784 -5.7784 -4.9556 -4.9556 -4.9524 -4.9524 -4.4480 -4.4480 -4.4451 -4.4451 -0.9590 -0.9590 -0.9540 -0.9540 -0.7501 -0.7501 -0.7434 -0.7434 -0.3186 -0.3186 -0.3165 -0.3165 6.1001 6.1001 6.1010 6.1010 7.0739 7.0739 7.0748 7.0748 8.8097 8.8110 k = 0.0000 0.5000 0.3530 ( 5500 PWs) bands (ev): -20.5585 -20.5585 -20.5585 -20.5585 -17.2942 -17.2942 -17.2941 -17.2941 -15.9669 -15.9669 -15.9668 -15.9668 -9.4536 -9.4536 -9.4533 -9.4533 -7.8429 -7.8429 -7.8405 -7.8405 -7.5793 -7.5793 -7.5768 -7.5768 -5.7932 -5.7932 -5.7911 -5.7911 -4.9580 -4.9580 -4.9545 -4.9545 -4.4892 -4.4892 -4.4860 -4.4860 -0.9705 -0.9705 -0.9664 -0.9664 -0.7240 -0.7240 -0.7180 -0.7180 -0.3160 -0.3160 -0.3138 -0.3138 6.1259 6.1259 6.1268 6.1268 7.1017 7.1017 7.1027 7.1027 8.7786 8.7791 k = 0.0000 0.5000 0.3706 ( 5488 PWs) bands (ev): -20.5545 -20.5545 -20.5545 -20.5545 -17.3054 -17.3054 -17.3054 -17.3054 -15.9653 -15.9653 -15.9652 -15.9652 -9.4438 -9.4438 -9.4435 -9.4435 -7.8461 -7.8461 -7.8441 -7.8441 -7.5422 -7.5422 -7.5401 -7.5401 -5.8072 -5.8072 -5.8052 -5.8052 -4.9608 -4.9608 -4.9571 -4.9571 -4.5291 -4.5291 -4.5257 -4.5257 -0.9822 -0.9822 -0.9787 -0.9787 -0.6982 -0.6982 -0.6929 -0.6929 -0.3132 -0.3132 -0.3110 -0.3110 6.1513 6.1513 6.1522 6.1522 7.1291 7.1291 7.1301 7.1301 8.7443 8.7455 k = 0.0000 0.5000 0.3882 ( 5486 PWs) bands (ev): -20.5507 -20.5507 -20.5507 -20.5507 -17.3162 -17.3162 -17.3162 -17.3162 -15.9638 -15.9638 -15.9637 -15.9637 -9.4345 -9.4345 -9.4342 -9.4342 -7.8511 -7.8511 -7.8495 -7.8495 -7.5022 -7.5022 -7.5004 -7.5004 -5.8226 -5.8226 -5.8206 -5.8206 -4.9640 -4.9640 -4.9601 -4.9601 -4.5671 -4.5671 -4.5635 -4.5635 -0.9938 -0.9938 -0.9908 -0.9908 -0.6733 -0.6733 -0.6684 -0.6684 -0.3103 -0.3103 -0.3080 -0.3080 6.1762 6.1762 6.1771 6.1771 7.1559 7.1559 7.1569 7.1569 8.7079 8.7085 k = 0.0000 0.5000 0.4059 ( 5486 PWs) bands (ev): -20.5470 -20.5470 -20.5470 -20.5470 -17.3265 -17.3265 -17.3265 -17.3265 -15.9623 -15.9623 -15.9623 -15.9623 -9.4258 -9.4258 -9.4255 -9.4255 -7.8572 -7.8572 -7.8559 -7.8559 -7.4604 -7.4604 -7.4589 -7.4589 -5.8394 -5.8394 -5.8375 -5.8375 -4.9678 -4.9678 -4.9637 -4.9637 -4.6028 -4.6028 -4.5990 -4.5990 -1.0050 -1.0050 -1.0024 -1.0024 -0.6496 -0.6496 -0.6451 -0.6451 -0.3073 -0.3073 -0.3049 -0.3049 6.2004 6.2004 6.2012 6.2012 7.1819 7.1819 7.1829 7.1829 8.6699 8.6704 k = 0.0000 0.5000 0.4235 ( 5486 PWs) bands (ev): -20.5435 -20.5435 -20.5435 -20.5435 -17.3362 -17.3362 -17.3362 -17.3362 -15.9610 -15.9610 -15.9609 -15.9609 -9.4178 -9.4178 -9.4175 -9.4175 -7.8638 -7.8638 -7.8627 -7.8627 -7.4178 -7.4178 -7.4165 -7.4165 -5.8574 -5.8574 -5.8556 -5.8556 -4.9721 -4.9721 -4.9678 -4.9678 -4.6359 -4.6359 -4.6318 -4.6318 -1.0156 -1.0156 -1.0134 -1.0134 -0.6273 -0.6273 -0.6230 -0.6230 -0.3041 -0.3041 -0.3017 -0.3017 6.2235 6.2235 6.2243 6.2243 7.2070 7.2070 7.2079 7.2079 8.6314 8.6318 k = 0.0000 0.5000 0.4412 ( 5478 PWs) bands (ev): -20.5403 -20.5403 -20.5403 -20.5403 -17.3453 -17.3453 -17.3453 -17.3453 -15.9597 -15.9597 -15.9596 -15.9596 -9.4104 -9.4104 -9.4101 -9.4101 -7.8705 -7.8705 -7.8695 -7.8695 -7.3752 -7.3752 -7.3740 -7.3740 -5.8765 -5.8765 -5.8747 -5.8747 -4.9769 -4.9769 -4.9725 -4.9725 -4.6658 -4.6658 -4.6616 -4.6616 -1.0256 -1.0256 -1.0237 -1.0237 -0.6067 -0.6067 -0.6027 -0.6027 -0.3009 -0.3009 -0.2985 -0.2985 6.2455 6.2455 6.2462 6.2462 7.2309 7.2309 7.2318 7.2318 8.5932 8.5933 k = 0.0000 0.5000 0.4588 ( 5486 PWs) bands (ev): -20.5373 -20.5373 -20.5372 -20.5372 -17.3536 -17.3536 -17.3536 -17.3536 -15.9586 -15.9586 -15.9585 -15.9585 -9.4037 -9.4037 -9.4034 -9.4034 -7.8769 -7.8769 -7.8761 -7.8761 -7.3334 -7.3334 -7.3323 -7.3323 -5.8963 -5.8963 -5.8946 -5.8946 -4.9822 -4.9822 -4.9778 -4.9778 -4.6923 -4.6923 -4.6880 -4.6880 -1.0348 -1.0348 -1.0332 -1.0332 -0.5879 -0.5879 -0.5841 -0.5841 -0.2977 -0.2977 -0.2952 -0.2952 6.2659 6.2659 6.2666 6.2666 7.2535 7.2535 7.2544 7.2544 8.5561 8.5562 k = 0.0000 0.5000 0.4765 ( 5476 PWs) bands (ev): -20.5345 -20.5345 -20.5345 -20.5345 -17.3611 -17.3611 -17.3611 -17.3611 -15.9575 -15.9575 -15.9574 -15.9574 -9.3977 -9.3977 -9.3974 -9.3974 -7.8829 -7.8829 -7.8823 -7.8823 -7.2932 -7.2932 -7.2921 -7.2921 -5.9164 -5.9164 -5.9148 -5.9148 -4.9878 -4.9878 -4.9834 -4.9834 -4.7152 -4.7152 -4.7108 -4.7108 -1.0431 -1.0431 -1.0417 -1.0417 -0.5711 -0.5711 -0.5676 -0.5676 -0.2945 -0.2945 -0.2919 -0.2919 6.2847 6.2847 6.2853 6.2853 7.2745 7.2745 7.2753 7.2753 8.5210 8.5210 k = 0.0000 0.5000 0.4941 ( 5480 PWs) bands (ev): -20.5321 -20.5321 -20.5321 -20.5321 -17.3678 -17.3678 -17.3677 -17.3677 -15.9566 -15.9566 -15.9565 -15.9565 -9.3925 -9.3925 -9.3922 -9.3922 -7.8884 -7.8884 -7.8878 -7.8878 -7.2554 -7.2554 -7.2545 -7.2545 -5.9363 -5.9363 -5.9348 -5.9348 -4.9935 -4.9935 -4.9892 -4.9892 -4.7345 -4.7345 -4.7301 -4.7301 -1.0505 -1.0505 -1.0493 -1.0493 -0.5565 -0.5565 -0.5531 -0.5531 -0.2914 -0.2914 -0.2888 -0.2888 6.3015 6.3015 6.3021 6.3021 7.2936 7.2936 7.2944 7.2944 8.4885 8.4885 k = 0.0000 0.5000 0.5118 ( 5470 PWs) bands (ev): -20.5300 -20.5300 -20.5300 -20.5300 -17.3735 -17.3735 -17.3735 -17.3735 -15.9558 -15.9558 -15.9557 -15.9557 -9.3880 -9.3880 -9.3878 -9.3878 -7.8932 -7.8932 -7.8927 -7.8927 -7.2211 -7.2211 -7.2202 -7.2202 -5.9551 -5.9551 -5.9538 -5.9538 -4.9991 -4.9991 -4.9949 -4.9949 -4.7502 -4.7502 -4.7459 -4.7459 -1.0568 -1.0568 -1.0558 -1.0558 -0.5441 -0.5441 -0.5409 -0.5409 -0.2885 -0.2885 -0.2860 -0.2860 6.3161 6.3161 6.3167 6.3167 7.3106 7.3106 7.3114 7.3114 8.4595 8.4595 k = 0.0000 0.5000 0.5294 ( 5470 PWs) bands (ev): -20.5283 -20.5283 -20.5283 -20.5283 -17.3782 -17.3782 -17.3782 -17.3782 -15.9551 -15.9551 -15.9551 -15.9551 -9.3844 -9.3844 -9.3842 -9.3842 -7.8972 -7.8972 -7.8968 -7.8968 -7.1912 -7.1912 -7.1903 -7.1903 -5.9723 -5.9723 -5.9711 -5.9711 -5.0043 -5.0043 -5.0002 -5.0002 -4.7627 -4.7627 -4.7584 -4.7584 -1.0621 -1.0621 -1.0612 -1.0612 -0.5339 -0.5339 -0.5309 -0.5309 -0.2859 -0.2859 -0.2834 -0.2834 6.3284 6.3284 6.3289 6.3289 7.3252 7.3252 7.3258 7.3258 8.4346 8.4346 k = 0.0000 0.5000 0.5471 ( 5476 PWs) bands (ev): -20.5269 -20.5269 -20.5269 -20.5269 -17.3820 -17.3820 -17.3819 -17.3819 -15.9546 -15.9546 -15.9545 -15.9545 -9.3815 -9.3815 -9.3813 -9.3813 -7.9004 -7.9004 -7.9001 -7.9001 -7.1666 -7.1666 -7.1658 -7.1658 -5.9868 -5.9868 -5.9858 -5.9858 -5.0087 -5.0087 -5.0048 -5.0048 -4.7720 -4.7720 -4.7678 -4.7678 -1.0662 -1.0662 -1.0655 -1.0655 -0.5260 -0.5260 -0.5231 -0.5231 -0.2838 -0.2838 -0.2813 -0.2813 6.3382 6.3382 6.3387 6.3387 7.3369 7.3369 7.3375 7.3375 8.4145 8.4145 k = 0.0000 0.5000 0.5647 ( 5484 PWs) bands (ev): -20.5259 -20.5259 -20.5259 -20.5259 -17.3847 -17.3847 -17.3846 -17.3846 -15.9543 -15.9543 -15.9542 -15.9542 -9.3795 -9.3795 -9.3793 -9.3793 -7.9027 -7.9027 -7.9024 -7.9024 -7.1483 -7.1483 -7.1475 -7.1475 -5.9979 -5.9979 -5.9970 -5.9970 -5.0120 -5.0120 -5.0083 -5.0083 -4.7784 -4.7784 -4.7743 -4.7743 -1.0692 -1.0692 -1.0685 -1.0685 -0.5204 -0.5204 -0.5175 -0.5175 -0.2822 -0.2822 -0.2797 -0.2797 6.3453 6.3453 6.3457 6.3457 7.3455 7.3455 7.3461 7.3461 8.3996 8.3996 k = 0.0000 0.5000 0.5824 ( 5474 PWs) bands (ev): -20.5253 -20.5253 -20.5253 -20.5253 -17.3863 -17.3863 -17.3862 -17.3862 -15.9540 -15.9540 -15.9539 -15.9539 -9.3783 -9.3783 -9.3780 -9.3780 -7.9041 -7.9041 -7.9038 -7.9038 -7.1370 -7.1370 -7.1362 -7.1362 -6.0049 -6.0049 -6.0041 -6.0041 -5.0141 -5.0141 -5.0105 -5.0105 -4.7822 -4.7822 -4.7782 -4.7782 -1.0710 -1.0710 -1.0704 -1.0704 -0.5170 -0.5170 -0.5142 -0.5142 -0.2812 -0.2812 -0.2787 -0.2787 6.3496 6.3496 6.3500 6.3500 7.3508 7.3508 7.3514 7.3514 8.3906 8.3906 k = 0.0000 0.5000 0.6000 ( 5492 PWs) bands (ev): -20.5251 -20.5251 -20.5251 -20.5251 -17.3868 -17.3868 -17.3868 -17.3868 -15.9540 -15.9540 -15.9539 -15.9539 -9.3779 -9.3779 -9.3777 -9.3777 -7.9046 -7.9046 -7.9043 -7.9043 -7.1331 -7.1331 -7.1324 -7.1324 -6.0073 -6.0073 -6.0065 -6.0065 -5.0148 -5.0148 -5.0113 -5.0113 -4.7834 -4.7834 -4.7794 -4.7794 -1.0716 -1.0716 -1.0710 -1.0710 -0.5159 -0.5159 -0.5131 -0.5131 -0.2808 -0.2808 -0.2784 -0.2784 6.3510 6.3510 6.3514 6.3514 7.3526 7.3526 7.3531 7.3531 8.3875 8.3875 k = 0.5000 0.5000-0.0000 ( 5520 PWs) bands (ev): -20.6125 -20.6125 -20.6125 -20.6125 -17.1226 -17.1226 -17.1226 -17.1226 -16.0051 -16.0051 -16.0051 -16.0051 -9.6433 -9.6433 -9.6433 -9.6433 -7.9265 -7.9265 -7.9265 -7.9265 -7.6498 -7.6498 -7.6498 -7.6498 -6.0534 -6.0534 -6.0534 -6.0534 -4.7486 -4.7486 -4.7486 -4.7486 -3.9568 -3.9568 -3.9568 -3.9568 -1.0790 -1.0790 -1.0790 -1.0790 -0.6828 -0.6828 -0.6828 -0.6828 -0.2739 -0.2739 -0.2739 -0.2739 5.6612 5.6612 5.6612 5.6612 7.0818 7.0818 7.0818 7.0818 8.0841 8.0841 k = 0.5000 0.5000 0.0176 ( 5516 PWs) bands (ev): -20.6123 -20.6123 -20.6123 -20.6123 -17.1231 -17.1231 -17.1231 -17.1231 -16.0051 -16.0051 -16.0051 -16.0051 -9.6425 -9.6425 -9.6425 -9.6425 -7.9254 -7.9254 -7.9254 -7.9254 -7.6504 -7.6504 -7.6504 -7.6504 -6.0534 -6.0534 -6.0534 -6.0534 -4.7484 -4.7484 -4.7484 -4.7484 -3.9590 -3.9590 -3.9590 -3.9590 -1.0782 -1.0782 -1.0782 -1.0782 -0.6830 -0.6830 -0.6830 -0.6830 -0.2739 -0.2739 -0.2739 -0.2739 5.6623 5.6623 5.6623 5.6623 7.0840 7.0840 7.0840 7.0840 8.0842 8.0842 k = 0.5000 0.5000 0.0353 ( 5516 PWs) bands (ev): -20.6118 -20.6118 -20.6118 -20.6118 -17.1247 -17.1247 -17.1247 -17.1247 -16.0049 -16.0049 -16.0049 -16.0049 -9.6403 -9.6403 -9.6403 -9.6403 -7.9222 -7.9222 -7.9222 -7.9222 -7.6522 -7.6522 -7.6522 -7.6522 -6.0533 -6.0533 -6.0533 -6.0533 -4.7477 -4.7477 -4.7477 -4.7477 -3.9656 -3.9656 -3.9656 -3.9656 -1.0758 -1.0758 -1.0758 -1.0758 -0.6836 -0.6836 -0.6836 -0.6836 -0.2738 -0.2738 -0.2738 -0.2738 5.6657 5.6657 5.6657 5.6657 7.0906 7.0906 7.0906 7.0906 8.0846 8.0846 k = 0.5000 0.5000 0.0529 ( 5500 PWs) bands (ev): -20.6109 -20.6109 -20.6109 -20.6109 -17.1274 -17.1274 -17.1274 -17.1274 -16.0046 -16.0046 -16.0046 -16.0046 -9.6365 -9.6365 -9.6365 -9.6365 -7.9168 -7.9168 -7.9168 -7.9168 -7.6552 -7.6552 -7.6552 -7.6552 -6.0530 -6.0530 -6.0530 -6.0530 -4.7465 -4.7465 -4.7465 -4.7465 -3.9765 -3.9765 -3.9765 -3.9765 -1.0717 -1.0717 -1.0717 -1.0717 -0.6845 -0.6845 -0.6845 -0.6845 -0.2735 -0.2735 -0.2735 -0.2735 5.6712 5.6712 5.6712 5.6712 7.1016 7.1016 7.1016 7.1016 8.0853 8.0853 k = 0.5000 0.5000 0.0706 ( 5520 PWs) bands (ev): -20.6097 -20.6097 -20.6097 -20.6097 -17.1311 -17.1311 -17.1311 -17.1311 -16.0042 -16.0042 -16.0042 -16.0042 -9.6313 -9.6313 -9.6313 -9.6313 -7.9093 -7.9093 -7.9093 -7.9093 -7.6595 -7.6595 -7.6595 -7.6595 -6.0527 -6.0527 -6.0527 -6.0527 -4.7449 -4.7449 -4.7449 -4.7449 -3.9918 -3.9918 -3.9918 -3.9918 -1.0662 -1.0662 -1.0662 -1.0662 -0.6858 -0.6858 -0.6858 -0.6858 -0.2732 -0.2732 -0.2732 -0.2732 5.6790 5.6790 5.6790 5.6790 7.1168 7.1168 7.1168 7.1168 8.0862 8.0862 k = 0.5000 0.5000 0.0882 ( 5520 PWs) bands (ev): -20.6081 -20.6081 -20.6081 -20.6081 -17.1359 -17.1359 -17.1359 -17.1359 -16.0037 -16.0037 -16.0037 -16.0037 -9.6248 -9.6248 -9.6248 -9.6248 -7.8996 -7.8996 -7.8996 -7.8996 -7.6648 -7.6648 -7.6648 -7.6648 -6.0523 -6.0523 -6.0523 -6.0523 -4.7428 -4.7428 -4.7428 -4.7428 -4.0112 -4.0112 -4.0112 -4.0112 -1.0593 -1.0593 -1.0593 -1.0593 -0.6873 -0.6873 -0.6873 -0.6873 -0.2729 -0.2729 -0.2729 -0.2729 5.6888 5.6888 5.6888 5.6888 7.1362 7.1362 7.1362 7.1362 8.0873 8.0873 k = 0.5000 0.5000 0.1059 ( 5520 PWs) bands (ev): -20.6062 -20.6062 -20.6062 -20.6062 -17.1415 -17.1415 -17.1415 -17.1415 -16.0031 -16.0031 -16.0031 -16.0031 -9.6169 -9.6169 -9.6169 -9.6169 -7.8877 -7.8877 -7.8877 -7.8877 -7.6712 -7.6712 -7.6712 -7.6712 -6.0517 -6.0517 -6.0517 -6.0517 -4.7405 -4.7405 -4.7405 -4.7405 -4.0347 -4.0347 -4.0347 -4.0347 -1.0511 -1.0511 -1.0511 -1.0511 -0.6888 -0.6888 -0.6888 -0.6888 -0.2724 -0.2724 -0.2724 -0.2724 5.7008 5.7008 5.7008 5.7008 7.1596 7.1596 7.1596 7.1596 8.0888 8.0888 k = 0.5000 0.5000 0.1235 ( 5520 PWs) bands (ev): -20.6040 -20.6040 -20.6040 -20.6040 -17.1481 -17.1481 -17.1481 -17.1481 -16.0024 -16.0024 -16.0024 -16.0024 -9.6079 -9.6079 -9.6079 -9.6079 -7.8737 -7.8737 -7.8737 -7.8737 -7.6786 -7.6786 -7.6786 -7.6786 -6.0510 -6.0510 -6.0510 -6.0510 -4.7378 -4.7378 -4.7378 -4.7378 -4.0623 -4.0623 -4.0623 -4.0623 -1.0419 -1.0419 -1.0419 -1.0419 -0.6903 -0.6903 -0.6903 -0.6903 -0.2719 -0.2719 -0.2719 -0.2719 5.7147 5.7147 5.7147 5.7147 7.1868 7.1868 7.1868 7.1868 8.0905 8.0905 k = 0.5000 0.5000 0.1412 ( 5520 PWs) bands (ev): -20.6015 -20.6015 -20.6015 -20.6015 -17.1556 -17.1556 -17.1556 -17.1556 -16.0016 -16.0016 -16.0016 -16.0016 -9.5978 -9.5978 -9.5978 -9.5978 -7.8574 -7.8574 -7.8574 -7.8574 -7.6870 -7.6870 -7.6870 -7.6870 -6.0501 -6.0501 -6.0501 -6.0501 -4.7349 -4.7349 -4.7349 -4.7349 -4.0936 -4.0936 -4.0936 -4.0936 -1.0319 -1.0319 -1.0319 -1.0319 -0.6915 -0.6915 -0.6915 -0.6915 -0.2713 -0.2713 -0.2713 -0.2713 5.7306 5.7306 5.7306 5.7306 7.2177 7.2177 7.2177 7.2177 8.0926 8.0926 k = 0.5000 0.5000 0.1588 ( 5500 PWs) bands (ev): -20.5988 -20.5988 -20.5988 -20.5988 -17.1638 -17.1638 -17.1638 -17.1638 -16.0007 -16.0007 -16.0007 -16.0007 -9.5866 -9.5866 -9.5866 -9.5866 -7.8390 -7.8390 -7.8390 -7.8390 -7.6962 -7.6962 -7.6962 -7.6962 -6.0490 -6.0490 -6.0490 -6.0490 -4.7318 -4.7318 -4.7318 -4.7318 -4.1286 -4.1286 -4.1286 -4.1286 -1.0214 -1.0214 -1.0214 -1.0214 -0.6922 -0.6922 -0.6922 -0.6922 -0.2706 -0.2706 -0.2706 -0.2706 5.7483 5.7483 5.7483 5.7483 7.2518 7.2518 7.2518 7.2518 8.0949 8.0949 k = 0.5000 0.5000 0.1765 ( 5516 PWs) bands (ev): -20.5958 -20.5958 -20.5958 -20.5958 -17.1728 -17.1728 -17.1728 -17.1728 -15.9997 -15.9997 -15.9997 -15.9997 -9.5747 -9.5747 -9.5747 -9.5747 -7.8183 -7.8183 -7.8183 -7.8183 -7.7062 -7.7062 -7.7062 -7.7062 -6.0478 -6.0478 -6.0478 -6.0478 -4.7285 -4.7285 -4.7285 -4.7285 -4.1671 -4.1671 -4.1671 -4.1671 -1.0106 -1.0106 -1.0106 -1.0106 -0.6922 -0.6922 -0.6922 -0.6922 -0.2699 -0.2699 -0.2699 -0.2699 5.7677 5.7677 5.7677 5.7677 7.2891 7.2891 7.2891 7.2891 8.0976 8.0976 k = 0.5000 0.5000 0.1941 ( 5516 PWs) bands (ev): -20.5925 -20.5925 -20.5925 -20.5925 -17.1824 -17.1824 -17.1824 -17.1824 -15.9987 -15.9987 -15.9987 -15.9987 -9.5621 -9.5621 -9.5621 -9.5621 -7.7955 -7.7955 -7.7955 -7.7955 -7.7169 -7.7169 -7.7169 -7.7169 -6.0463 -6.0463 -6.0463 -6.0463 -4.7252 -4.7252 -4.7252 -4.7252 -4.2088 -4.2088 -4.2088 -4.2088 -1.0000 -1.0000 -1.0000 -1.0000 -0.6912 -0.6912 -0.6912 -0.6912 -0.2691 -0.2691 -0.2691 -0.2691 5.7887 5.7887 5.7887 5.7887 7.3291 7.3291 7.3291 7.3291 8.1006 8.1006 k = 0.5000 0.5000 0.2118 ( 5500 PWs) bands (ev): -20.5890 -20.5890 -20.5890 -20.5890 -17.1926 -17.1926 -17.1926 -17.1926 -15.9976 -15.9976 -15.9976 -15.9976 -9.5489 -9.5489 -9.5489 -9.5489 -7.7705 -7.7705 -7.7705 -7.7705 -7.7282 -7.7282 -7.7282 -7.7282 -6.0446 -6.0446 -6.0446 -6.0446 -4.7219 -4.7219 -4.7219 -4.7219 -4.2536 -4.2536 -4.2536 -4.2536 -0.9898 -0.9898 -0.9898 -0.9898 -0.6888 -0.6888 -0.6888 -0.6888 -0.2683 -0.2683 -0.2683 -0.2683 5.8113 5.8113 5.8113 5.8113 7.3715 7.3715 7.3715 7.3715 8.1041 8.1041 k = 0.5000 0.5000 0.2294 ( 5524 PWs) bands (ev): -20.5854 -20.5854 -20.5854 -20.5854 -17.2032 -17.2032 -17.2032 -17.2032 -15.9964 -15.9964 -15.9964 -15.9964 -9.5352 -9.5352 -9.5352 -9.5352 -7.7448 -7.7448 -7.7448 -7.7448 -7.7386 -7.7386 -7.7386 -7.7386 -6.0428 -6.0428 -6.0428 -6.0428 -4.7187 -4.7187 -4.7187 -4.7187 -4.3012 -4.3012 -4.3012 -4.3012 -0.9806 -0.9806 -0.9806 -0.9806 -0.6849 -0.6849 -0.6849 -0.6849 -0.2674 -0.2674 -0.2674 -0.2674 5.8351 5.8351 5.8351 5.8351 7.4160 7.4160 7.4160 7.4160 8.1079 8.1079 k = 0.5000 0.5000 0.2471 ( 5508 PWs) bands (ev): -20.5816 -20.5816 -20.5816 -20.5816 -17.2142 -17.2142 -17.2142 -17.2142 -15.9952 -15.9952 -15.9952 -15.9952 -9.5213 -9.5213 -9.5213 -9.5213 -7.7525 -7.7525 -7.7525 -7.7525 -7.7138 -7.7138 -7.7138 -7.7138 -6.0406 -6.0406 -6.0406 -6.0406 -4.7155 -4.7155 -4.7155 -4.7155 -4.3513 -4.3513 -4.3513 -4.3513 -0.9726 -0.9726 -0.9726 -0.9726 -0.6790 -0.6790 -0.6790 -0.6790 -0.2665 -0.2665 -0.2665 -0.2665 5.8602 5.8602 5.8602 5.8602 7.4622 7.4622 7.4622 7.4622 8.1122 8.1122 k = 0.5000 0.5000 0.2647 ( 5520 PWs) bands (ev): -20.5777 -20.5777 -20.5777 -20.5777 -17.2255 -17.2255 -17.2255 -17.2255 -15.9940 -15.9940 -15.9940 -15.9940 -9.5073 -9.5073 -9.5073 -9.5073 -7.7649 -7.7649 -7.7649 -7.7649 -7.6826 -7.6826 -7.6826 -7.6826 -6.0383 -6.0383 -6.0383 -6.0383 -4.7125 -4.7125 -4.7125 -4.7125 -4.4037 -4.4037 -4.4037 -4.4037 -0.9661 -0.9661 -0.9661 -0.9661 -0.6712 -0.6712 -0.6712 -0.6712 -0.2656 -0.2656 -0.2656 -0.2656 5.8863 5.8863 5.8863 5.8863 7.5097 7.5097 7.5097 7.5097 8.1170 8.1170 k = 0.5000 0.5000 0.2824 ( 5524 PWs) bands (ev): -20.5737 -20.5737 -20.5737 -20.5737 -17.2370 -17.2370 -17.2370 -17.2370 -15.9927 -15.9927 -15.9927 -15.9927 -9.4933 -9.4933 -9.4933 -9.4933 -7.7775 -7.7775 -7.7775 -7.7775 -7.6495 -7.6495 -7.6495 -7.6495 -6.0359 -6.0359 -6.0359 -6.0359 -4.7096 -4.7096 -4.7096 -4.7096 -4.4581 -4.4581 -4.4581 -4.4581 -0.9612 -0.9612 -0.9612 -0.9612 -0.6613 -0.6613 -0.6613 -0.6613 -0.2647 -0.2647 -0.2647 -0.2647 5.9133 5.9133 5.9133 5.9133 7.5580 7.5580 7.5580 7.5580 8.1224 8.1224 k = 0.5000 0.5000 0.3000 ( 5512 PWs) bands (ev): -20.5697 -20.5697 -20.5697 -20.5697 -17.2485 -17.2485 -17.2485 -17.2485 -15.9914 -15.9914 -15.9914 -15.9914 -9.4793 -9.4793 -9.4793 -9.4793 -7.7902 -7.7902 -7.7902 -7.7902 -7.6145 -7.6145 -7.6145 -7.6145 -6.0332 -6.0332 -6.0332 -6.0332 -4.7070 -4.7070 -4.7070 -4.7070 -4.5141 -4.5141 -4.5141 -4.5141 -0.9580 -0.9580 -0.9580 -0.9580 -0.6494 -0.6494 -0.6494 -0.6494 -0.2637 -0.2637 -0.2637 -0.2637 5.9409 5.9409 5.9409 5.9409 7.6068 7.6068 7.6068 7.6068 8.1283 8.1283 k = 0.5000 0.5000 0.3177 ( 5512 PWs) bands (ev): -20.5656 -20.5656 -20.5656 -20.5656 -17.2601 -17.2601 -17.2601 -17.2601 -15.9902 -15.9902 -15.9902 -15.9902 -9.4657 -9.4657 -9.4657 -9.4657 -7.8028 -7.8028 -7.8028 -7.8028 -7.5779 -7.5779 -7.5779 -7.5779 -6.0304 -6.0304 -6.0304 -6.0304 -4.7045 -4.7045 -4.7045 -4.7045 -4.5713 -4.5713 -4.5713 -4.5713 -0.9564 -0.9564 -0.9564 -0.9564 -0.6357 -0.6357 -0.6357 -0.6357 -0.2628 -0.2628 -0.2628 -0.2628 5.9690 5.9690 5.9690 5.9690 7.6554 7.6554 7.6554 7.6554 8.1350 8.1350 k = 0.5000 0.5000 0.3353 ( 5512 PWs) bands (ev): -20.5616 -20.5616 -20.5616 -20.5616 -17.2715 -17.2715 -17.2715 -17.2715 -15.9889 -15.9889 -15.9889 -15.9889 -9.4524 -9.4524 -9.4524 -9.4524 -7.8153 -7.8153 -7.8153 -7.8153 -7.5399 -7.5399 -7.5399 -7.5399 -6.0275 -6.0275 -6.0275 -6.0275 -4.7024 -4.7024 -4.7024 -4.7024 -4.6295 -4.6295 -4.6295 -4.6295 -0.9562 -0.9562 -0.9562 -0.9562 -0.6206 -0.6206 -0.6206 -0.6206 -0.2618 -0.2618 -0.2618 -0.2618 5.9974 5.9974 5.9974 5.9974 7.7036 7.7036 7.7036 7.7036 8.1424 8.1424 k = 0.5000 0.5000 0.3530 ( 5496 PWs) bands (ev): -20.5576 -20.5576 -20.5576 -20.5576 -17.2827 -17.2827 -17.2827 -17.2827 -15.9877 -15.9877 -15.9877 -15.9877 -9.4396 -9.4396 -9.4396 -9.4396 -7.8275 -7.8275 -7.8275 -7.8275 -7.5007 -7.5007 -7.5007 -7.5007 -6.0245 -6.0245 -6.0245 -6.0245 -4.7011 -4.7011 -4.7011 -4.7011 -4.6876 -4.6876 -4.6876 -4.6876 -0.9571 -0.9571 -0.9571 -0.9571 -0.6045 -0.6045 -0.6045 -0.6045 -0.2609 -0.2609 -0.2609 -0.2609 6.0258 6.0258 6.0258 6.0258 7.7507 7.7507 7.7507 7.7507 8.1505 8.1505 k = 0.5000 0.5000 0.3706 ( 5504 PWs) bands (ev): -20.5537 -20.5537 -20.5537 -20.5537 -17.2936 -17.2936 -17.2936 -17.2936 -15.9865 -15.9865 -15.9865 -15.9865 -9.4273 -9.4273 -9.4273 -9.4273 -7.8393 -7.8393 -7.8393 -7.8393 -7.4605 -7.4605 -7.4605 -7.4605 -6.0215 -6.0215 -6.0215 -6.0215 -4.7476 -4.7476 -4.7476 -4.7476 -4.6983 -4.6983 -4.6983 -4.6983 -0.9590 -0.9590 -0.9590 -0.9590 -0.5876 -0.5876 -0.5876 -0.5876 -0.2600 -0.2600 -0.2600 -0.2600 6.0540 6.0540 6.0540 6.0540 7.7963 7.7963 7.7963 7.7963 8.1596 8.1596 k = 0.5000 0.5000 0.3882 ( 5508 PWs) bands (ev): -20.5499 -20.5499 -20.5499 -20.5499 -17.3042 -17.3042 -17.3042 -17.3042 -15.9853 -15.9853 -15.9853 -15.9853 -9.4157 -9.4157 -9.4157 -9.4157 -7.8507 -7.8507 -7.8507 -7.8507 -7.4198 -7.4198 -7.4198 -7.4198 -6.0185 -6.0185 -6.0185 -6.0185 -4.8060 -4.8060 -4.8060 -4.8060 -4.6969 -4.6969 -4.6969 -4.6969 -0.9617 -0.9617 -0.9617 -0.9617 -0.5704 -0.5704 -0.5704 -0.5704 -0.2592 -0.2592 -0.2592 -0.2592 6.0817 6.0817 6.0817 6.0817 7.8400 7.8400 7.8400 7.8400 8.1695 8.1695 k = 0.5000 0.5000 0.4059 ( 5508 PWs) bands (ev): -20.5462 -20.5462 -20.5462 -20.5462 -17.3142 -17.3142 -17.3142 -17.3142 -15.9842 -15.9842 -15.9842 -15.9842 -9.4048 -9.4048 -9.4048 -9.4048 -7.8615 -7.8615 -7.8615 -7.8615 -7.3789 -7.3789 -7.3789 -7.3789 -6.0155 -6.0155 -6.0155 -6.0155 -4.8637 -4.8637 -4.8637 -4.8637 -4.6957 -4.6957 -4.6957 -4.6957 -0.9648 -0.9648 -0.9648 -0.9648 -0.5532 -0.5532 -0.5532 -0.5532 -0.2583 -0.2583 -0.2583 -0.2583 6.1087 6.1087 6.1087 6.1087 7.8813 7.8813 7.8813 7.8813 8.1804 8.1804 k = 0.5000 0.5000 0.4235 ( 5508 PWs) bands (ev): -20.5428 -20.5428 -20.5428 -20.5428 -17.3237 -17.3237 -17.3237 -17.3237 -15.9831 -15.9831 -15.9831 -15.9831 -9.3947 -9.3947 -9.3947 -9.3947 -7.8717 -7.8717 -7.8717 -7.8717 -7.3383 -7.3383 -7.3383 -7.3383 -6.0126 -6.0126 -6.0126 -6.0126 -4.9199 -4.9199 -4.9199 -4.9199 -4.6946 -4.6946 -4.6946 -4.6946 -0.9681 -0.9681 -0.9681 -0.9681 -0.5364 -0.5364 -0.5364 -0.5364 -0.2575 -0.2575 -0.2575 -0.2575 6.1348 6.1348 6.1348 6.1348 7.9198 7.9198 7.9198 7.9198 8.1922 8.1922 k = 0.5000 0.5000 0.4412 ( 5508 PWs) bands (ev): -20.5396 -20.5396 -20.5396 -20.5396 -17.3326 -17.3326 -17.3326 -17.3326 -15.9821 -15.9821 -15.9821 -15.9821 -9.3854 -9.3854 -9.3854 -9.3854 -7.8812 -7.8812 -7.8812 -7.8812 -7.2984 -7.2984 -7.2984 -7.2984 -6.0098 -6.0098 -6.0098 -6.0098 -4.9742 -4.9742 -4.9742 -4.9742 -4.6938 -4.6938 -4.6938 -4.6938 -0.9716 -0.9716 -0.9716 -0.9716 -0.5203 -0.5203 -0.5203 -0.5203 -0.2568 -0.2568 -0.2568 -0.2568 6.1595 6.1595 6.1595 6.1595 7.9551 7.9551 7.9551 7.9551 8.2051 8.2051 k = 0.5000 0.5000 0.4588 ( 5516 PWs) bands (ev): -20.5366 -20.5366 -20.5366 -20.5366 -17.3407 -17.3407 -17.3407 -17.3407 -15.9812 -15.9812 -15.9812 -15.9812 -9.3770 -9.3770 -9.3770 -9.3770 -7.8898 -7.8898 -7.8898 -7.8898 -7.2598 -7.2598 -7.2598 -7.2598 -6.0072 -6.0072 -6.0072 -6.0072 -5.0258 -5.0258 -5.0258 -5.0258 -4.6931 -4.6931 -4.6931 -4.6931 -0.9751 -0.9751 -0.9751 -0.9751 -0.5051 -0.5051 -0.5051 -0.5051 -0.2561 -0.2561 -0.2561 -0.2561 6.1826 6.1826 6.1826 6.1826 7.9871 7.9871 7.9871 7.9871 8.2188 8.2188 k = 0.5000 0.5000 0.4765 ( 5532 PWs) bands (ev): -20.5339 -20.5339 -20.5339 -20.5339 -17.3480 -17.3480 -17.3480 -17.3480 -15.9804 -15.9804 -15.9804 -15.9804 -9.3696 -9.3696 -9.3696 -9.3696 -7.8977 -7.8977 -7.8977 -7.8977 -7.2233 -7.2233 -7.2233 -7.2233 -6.0048 -6.0048 -6.0048 -6.0048 -5.0740 -5.0740 -5.0740 -5.0740 -4.6925 -4.6925 -4.6925 -4.6925 -0.9784 -0.9784 -0.9784 -0.9784 -0.4912 -0.4912 -0.4912 -0.4912 -0.2555 -0.2555 -0.2555 -0.2555 6.2039 6.2039 6.2039 6.2039 8.0154 8.0154 8.0154 8.0154 8.2333 8.2333 k = 0.5000 0.5000 0.4941 ( 5524 PWs) bands (ev): -20.5315 -20.5315 -20.5315 -20.5315 -17.3545 -17.3545 -17.3545 -17.3545 -15.9797 -15.9797 -15.9797 -15.9797 -9.3630 -9.3630 -9.3630 -9.3630 -7.9046 -7.9046 -7.9046 -7.9046 -7.1894 -7.1894 -7.1894 -7.1894 -6.0026 -6.0026 -6.0026 -6.0026 -5.1181 -5.1181 -5.1181 -5.1181 -4.6921 -4.6921 -4.6921 -4.6921 -0.9815 -0.9815 -0.9815 -0.9815 -0.4787 -0.4787 -0.4787 -0.4787 -0.2550 -0.2550 -0.2550 -0.2550 6.2231 6.2231 6.2231 6.2231 8.0399 8.0399 8.0399 8.0399 8.2482 8.2482 k = 0.5000 0.5000 0.5118 ( 5524 PWs) bands (ev): -20.5294 -20.5294 -20.5294 -20.5294 -17.3601 -17.3601 -17.3601 -17.3601 -15.9791 -15.9791 -15.9791 -15.9791 -9.3575 -9.3575 -9.3575 -9.3575 -7.9105 -7.9105 -7.9105 -7.9105 -7.1590 -7.1590 -7.1590 -7.1590 -6.0006 -6.0006 -6.0006 -6.0006 -5.1572 -5.1572 -5.1572 -5.1572 -4.6918 -4.6918 -4.6918 -4.6918 -0.9842 -0.9842 -0.9842 -0.9842 -0.4677 -0.4677 -0.4677 -0.4677 -0.2545 -0.2545 -0.2545 -0.2545 6.2398 6.2398 6.2398 6.2398 8.0606 8.0606 8.0606 8.0606 8.2632 8.2632 k = 0.5000 0.5000 0.5294 ( 5508 PWs) bands (ev): -20.5277 -20.5277 -20.5277 -20.5277 -17.3647 -17.3647 -17.3647 -17.3647 -15.9785 -15.9785 -15.9785 -15.9785 -9.3529 -9.3529 -9.3529 -9.3529 -7.9154 -7.9154 -7.9154 -7.9154 -7.1327 -7.1327 -7.1327 -7.1327 -5.9990 -5.9990 -5.9990 -5.9990 -5.1907 -5.1907 -5.1907 -5.1907 -4.6916 -4.6916 -4.6916 -4.6916 -0.9865 -0.9865 -0.9865 -0.9865 -0.4586 -0.4586 -0.4586 -0.4586 -0.2541 -0.2541 -0.2541 -0.2541 6.2539 6.2539 6.2539 6.2539 8.0774 8.0774 8.0774 8.0774 8.2777 8.2777 k = 0.5000 0.5000 0.5471 ( 5508 PWs) bands (ev): -20.5263 -20.5263 -20.5263 -20.5263 -17.3684 -17.3684 -17.3684 -17.3684 -15.9781 -15.9781 -15.9781 -15.9781 -9.3493 -9.3493 -9.3493 -9.3493 -7.9192 -7.9192 -7.9192 -7.9192 -7.1113 -7.1113 -7.1113 -7.1113 -5.9977 -5.9977 -5.9977 -5.9977 -5.2176 -5.2176 -5.2176 -5.2176 -4.6914 -4.6914 -4.6914 -4.6914 -0.9884 -0.9884 -0.9884 -0.9884 -0.4513 -0.4513 -0.4513 -0.4513 -0.2538 -0.2538 -0.2538 -0.2538 6.2650 6.2650 6.2650 6.2650 8.0904 8.0904 8.0904 8.0904 8.2908 8.2908 k = 0.5000 0.5000 0.5647 ( 5480 PWs) bands (ev): -20.5253 -20.5253 -20.5253 -20.5253 -17.3710 -17.3710 -17.3710 -17.3710 -15.9778 -15.9778 -15.9778 -15.9778 -9.3467 -9.3467 -9.3467 -9.3467 -7.9220 -7.9220 -7.9220 -7.9220 -7.0955 -7.0955 -7.0955 -7.0955 -5.9968 -5.9968 -5.9968 -5.9968 -5.2374 -5.2374 -5.2374 -5.2374 -4.6913 -4.6913 -4.6913 -4.6913 -0.9897 -0.9897 -0.9897 -0.9897 -0.4460 -0.4460 -0.4460 -0.4460 -0.2536 -0.2536 -0.2536 -0.2536 6.2732 6.2732 6.2732 6.2732 8.0996 8.0996 8.0996 8.0996 8.3013 8.3013 k = 0.5000 0.5000 0.5824 ( 5480 PWs) bands (ev): -20.5247 -20.5247 -20.5247 -20.5247 -17.3726 -17.3726 -17.3726 -17.3726 -15.9777 -15.9777 -15.9777 -15.9777 -9.3452 -9.3452 -9.3452 -9.3452 -7.9237 -7.9237 -7.9237 -7.9237 -7.0858 -7.0858 -7.0858 -7.0858 -5.9962 -5.9962 -5.9962 -5.9962 -5.2495 -5.2495 -5.2495 -5.2495 -4.6912 -4.6912 -4.6912 -4.6912 -0.9906 -0.9906 -0.9906 -0.9906 -0.4428 -0.4428 -0.4428 -0.4428 -0.2535 -0.2535 -0.2535 -0.2535 6.2781 6.2781 6.2781 6.2781 8.1051 8.1051 8.1051 8.1051 8.3083 8.3083 k = 0.5000 0.5000 0.6000 ( 5480 PWs) bands (ev): -20.5245 -20.5245 -20.5245 -20.5245 -17.3731 -17.3731 -17.3731 -17.3731 -15.9776 -15.9776 -15.9776 -15.9776 -9.3447 -9.3447 -9.3447 -9.3447 -7.9242 -7.9242 -7.9242 -7.9242 -7.0826 -7.0826 -7.0826 -7.0826 -5.9960 -5.9960 -5.9960 -5.9960 -5.2536 -5.2536 -5.2536 -5.2536 -4.6912 -4.6912 -4.6912 -4.6912 -0.9908 -0.9908 -0.9908 -0.9908 -0.4418 -0.4418 -0.4418 -0.4418 -0.2534 -0.2534 -0.2534 -0.2534 6.2798 6.2798 6.2798 6.2798 8.1069 8.1069 8.1069 8.1069 8.3107 8.3107 Writing output data file H4CN2O.save init_run : 0.70s CPU 0.45s WALL ( 1 calls) electrons : 360.16s CPU 264.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 360.15s CPU 264.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.43s CPU 0.54s WALL ( 303 calls) cegterg : 316.19s CPU 238.92s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 208.32s CPU 134.66s WALL ( 9337 calls) s_psi : 10.27s CPU 7.31s WALL ( 9337 calls) g_psi : 0.48s CPU 0.35s WALL ( 8449 calls) cdiaghg : 98.85s CPU 87.85s WALL ( 8752 calls) cegterg:over : 13.57s CPU 10.48s WALL ( 8449 calls) cegterg:upda : 12.19s CPU 10.30s WALL ( 8449 calls) cegterg:last : 4.57s CPU 3.93s WALL ( 1191 calls) cdiaghg:chol : 5.24s CPU 4.95s WALL ( 8752 calls) cdiaghg:inve : 3.80s CPU 3.38s WALL ( 8752 calls) cdiaghg:para : 5.54s CPU 5.41s WALL ( 17504 calls) Called by h_psi: h_psi:vloc : 188.69s CPU 120.58s WALL ( 9337 calls) h_psi:vnl : 19.09s CPU 13.66s WALL ( 9337 calls) add_vuspsi : 8.60s CPU 5.94s WALL ( 9337 calls) General routines calbec : 10.44s CPU 7.69s WALL ( 9337 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 176.17s CPU 111.54s WALL ( 907800 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.44s CPU 1.10s WALL ( 606 calls) Parallel routines fft_scatter : 76.66s CPU 55.10s WALL ( 907823 calls) PWSCF : 6m19.88s CPU 4m56.72s WALL This run was terminated on: 15:46:47 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=