Program PWSCF v.5.4.0 starts on 12Feb2017 at 1:51:15 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: ./BH8N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized 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 37 21 6 2175 917 150 Max 38 22 7 2184 942 159 Sum 1353 773 233 78507 33385 5507 bravais-lattice index = 14 lattice parameter (alat) = 7.2225 a.u. unit-cell volume = 792.8460 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.222533 celldm(2)= 1.005233 celldm(3)= 2.093407 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 1.005233 0.000000 ) a(3) = ( 0.000000 0.000000 2.093407 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.994794 -0.000000 ) b(3) = ( 0.000000 0.000000 0.477690 ) PseudoPot. # 1 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. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 H 1.00 1.00790 H( 1.00) B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops. (no inversion) found ( 2 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 [1,0,0] 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0467033 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0467033 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 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 C2 -C2 2 -2 180 deg rotation - cart. axis [1,0,0] s_v -s_v 4 -4 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 3 -3 inv. 180 deg rotation - cart. axis [0,0,1] Cartesian axes number of k points= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0023585 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0023585 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0023585 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0023585 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0023585 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023585 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0023585 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0023585 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0023585 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0023585 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0023585 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0023585 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0023585 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0023585 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0023585 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0023585 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0023585 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 45) = ( 0.5000000 0.0121316 -0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 0.0242633 -0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 0.0363949 -0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0485266 -0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.0606582 -0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0727898 -0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0849215 -0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0970531 -0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.1091848 -0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.1213164 -0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.1334480 -0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.1455797 -0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.1577113 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.1698429 -0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1819746 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1941062 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.2062379 -0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.2183695 -0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.2305011 -0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.2426328 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.2547644 -0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.2668960 -0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.2790277 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2911593 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.3032910 -0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.3154226 -0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.3275542 -0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.3396859 -0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.3518175 -0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.3639492 -0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.3760808 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.3882124 -0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.4003441 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.4124757 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.4246074 -0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.4367390 -0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.4488706 -0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.4610023 -0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.4731339 -0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.4852656 -0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.4973972 -0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.4973972 -0.0000000), wk = 0.0023585 k( 87) = ( 0.4880952 0.4973972 -0.0000000), wk = 0.0023585 k( 88) = ( 0.4761905 0.4973972 -0.0000000), wk = 0.0023585 k( 89) = ( 0.4642857 0.4973972 -0.0000000), wk = 0.0023585 k( 90) = ( 0.4523810 0.4973972 -0.0000000), wk = 0.0023585 k( 91) = ( 0.4404762 0.4973972 -0.0000000), wk = 0.0023585 k( 92) = ( 0.4285714 0.4973972 -0.0000000), wk = 0.0023585 k( 93) = ( 0.4166667 0.4973972 -0.0000000), wk = 0.0023585 k( 94) = ( 0.4047619 0.4973972 -0.0000000), wk = 0.0023585 k( 95) = ( 0.3928571 0.4973972 -0.0000000), wk = 0.0023585 k( 96) = ( 0.3809524 0.4973972 -0.0000000), wk = 0.0023585 k( 97) = ( 0.3690476 0.4973972 -0.0000000), wk = 0.0023585 k( 98) = ( 0.3571429 0.4973972 -0.0000000), wk = 0.0023585 k( 99) = ( 0.3452381 0.4973972 -0.0000000), wk = 0.0023585 k( 100) = ( 0.3333333 0.4973972 -0.0000000), wk = 0.0023585 k( 101) = ( 0.3214286 0.4973972 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3095238 0.4973972 -0.0000000), wk = 0.0023585 k( 103) = ( 0.2976190 0.4973972 -0.0000000), wk = 0.0023585 k( 104) = ( 0.2857143 0.4973972 -0.0000000), wk = 0.0023585 k( 105) = ( 0.2738095 0.4973972 -0.0000000), wk = 0.0023585 k( 106) = ( 0.2619048 0.4973972 -0.0000000), wk = 0.0023585 k( 107) = ( 0.2500000 0.4973972 -0.0000000), wk = 0.0023585 k( 108) = ( 0.2380952 0.4973972 -0.0000000), wk = 0.0023585 k( 109) = ( 0.2261905 0.4973972 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2142857 0.4973972 -0.0000000), wk = 0.0023585 k( 111) = ( 0.2023810 0.4973972 -0.0000000), wk = 0.0023585 k( 112) = ( 0.1904762 0.4973972 -0.0000000), wk = 0.0023585 k( 113) = ( 0.1785714 0.4973972 -0.0000000), wk = 0.0023585 k( 114) = ( 0.1666667 0.4973972 -0.0000000), wk = 0.0023585 k( 115) = ( 0.1547619 0.4973972 -0.0000000), wk = 0.0023585 k( 116) = ( 0.1428571 0.4973972 -0.0000000), wk = 0.0023585 k( 117) = ( 0.1309524 0.4973972 -0.0000000), wk = 0.0023585 k( 118) = ( 0.1190476 0.4973972 -0.0000000), wk = 0.0023585 k( 119) = ( 0.1071429 0.4973972 -0.0000000), wk = 0.0023585 k( 120) = ( 0.0952381 0.4973972 -0.0000000), wk = 0.0023585 k( 121) = ( 0.0833333 0.4973972 -0.0000000), wk = 0.0023585 k( 122) = ( 0.0714286 0.4973972 -0.0000000), wk = 0.0023585 k( 123) = ( 0.0595238 0.4973972 -0.0000000), wk = 0.0023585 k( 124) = ( 0.0476191 0.4973972 -0.0000000), wk = 0.0023585 k( 125) = ( 0.0357143 0.4973972 -0.0000000), wk = 0.0023585 k( 126) = ( 0.0238095 0.4973972 -0.0000000), wk = 0.0023585 k( 127) = ( 0.0119048 0.4973972 -0.0000000), wk = 0.0023585 k( 128) = ( 0.0000000 0.4973972 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0000000 0.4973972 -0.0000000), wk = 0.0023585 k( 130) = ( 0.0000000 0.4852656 -0.0000000), wk = 0.0023585 k( 131) = ( 0.0000000 0.4731339 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.4610023 -0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.4488706 -0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.4367390 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.4246074 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.4124757 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.4003441 -0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.3882124 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.3760808 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.3639492 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.3518175 -0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.3396859 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.3275542 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.3154226 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.3032910 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.2911593 -0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.2790277 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.2668960 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.2547644 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.2426328 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.2305011 -0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.2183695 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.2062379 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.1941062 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.1819746 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.1698429 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.1577113 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.1455797 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.1334480 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.1213164 -0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.1091848 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.0970531 -0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.0849215 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0727898 -0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0606582 -0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0485266 -0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.0363949 -0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.0242633 -0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.0121316 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.0119423), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.0238845), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.0358268), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.0477690), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.0597113), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.0716535), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.0835958), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.0955381), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.1074803), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.1194226), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.1313648), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.1433071), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.1552493), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.1671916), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.1791339), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.1910761), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.2030184), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.2149606), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.2269029), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.2388451), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.2388451), wk = 0.0023585 k( 193) = ( 0.0119048 -0.0000000 0.2388451), wk = 0.0023585 k( 194) = ( 0.0238095 -0.0000000 0.2388451), wk = 0.0023585 k( 195) = ( 0.0357143 -0.0000000 0.2388451), wk = 0.0023585 k( 196) = ( 0.0476191 -0.0000000 0.2388451), wk = 0.0023585 k( 197) = ( 0.0595238 -0.0000000 0.2388451), wk = 0.0023585 k( 198) = ( 0.0714286 -0.0000000 0.2388451), wk = 0.0023585 k( 199) = ( 0.0833333 -0.0000000 0.2388451), wk = 0.0023585 k( 200) = ( 0.0952381 -0.0000000 0.2388451), wk = 0.0023585 k( 201) = ( 0.1071429 -0.0000000 0.2388451), wk = 0.0023585 k( 202) = ( 0.1190476 -0.0000000 0.2388451), wk = 0.0023585 k( 203) = ( 0.1309524 -0.0000000 0.2388451), wk = 0.0023585 k( 204) = ( 0.1428571 -0.0000000 0.2388451), wk = 0.0023585 k( 205) = ( 0.1547619 -0.0000000 0.2388451), wk = 0.0023585 k( 206) = ( 0.1666667 -0.0000000 0.2388451), wk = 0.0023585 k( 207) = ( 0.1785714 -0.0000000 0.2388451), wk = 0.0023585 k( 208) = ( 0.1904762 -0.0000000 0.2388451), wk = 0.0023585 k( 209) = ( 0.2023810 -0.0000000 0.2388451), wk = 0.0023585 k( 210) = ( 0.2142857 -0.0000000 0.2388451), wk = 0.0023585 k( 211) = ( 0.2261905 -0.0000000 0.2388451), wk = 0.0023585 k( 212) = ( 0.2380952 -0.0000000 0.2388451), wk = 0.0023585 k( 213) = ( 0.2500000 -0.0000000 0.2388451), wk = 0.0023585 k( 214) = ( 0.2619048 -0.0000000 0.2388451), wk = 0.0023585 k( 215) = ( 0.2738095 -0.0000000 0.2388451), wk = 0.0023585 k( 216) = ( 0.2857143 -0.0000000 0.2388451), wk = 0.0023585 k( 217) = ( 0.2976190 -0.0000000 0.2388451), wk = 0.0023585 k( 218) = ( 0.3095238 -0.0000000 0.2388451), wk = 0.0023585 k( 219) = ( 0.3214286 -0.0000000 0.2388451), wk = 0.0023585 k( 220) = ( 0.3333333 -0.0000000 0.2388451), wk = 0.0023585 k( 221) = ( 0.3452381 -0.0000000 0.2388451), wk = 0.0023585 k( 222) = ( 0.3571429 -0.0000000 0.2388451), wk = 0.0023585 k( 223) = ( 0.3690476 -0.0000000 0.2388451), wk = 0.0023585 k( 224) = ( 0.3809524 -0.0000000 0.2388451), wk = 0.0023585 k( 225) = ( 0.3928571 -0.0000000 0.2388451), wk = 0.0023585 k( 226) = ( 0.4047619 -0.0000000 0.2388451), wk = 0.0023585 k( 227) = ( 0.4166667 -0.0000000 0.2388451), wk = 0.0023585 k( 228) = ( 0.4285714 -0.0000000 0.2388451), wk = 0.0023585 k( 229) = ( 0.4404762 -0.0000000 0.2388451), wk = 0.0023585 k( 230) = ( 0.4523810 -0.0000000 0.2388451), wk = 0.0023585 k( 231) = ( 0.4642857 -0.0000000 0.2388451), wk = 0.0023585 k( 232) = ( 0.4761905 -0.0000000 0.2388451), wk = 0.0023585 k( 233) = ( 0.4880952 -0.0000000 0.2388451), wk = 0.0023585 k( 234) = ( 0.5000000 -0.0000000 0.2388451), wk = 0.0023585 k( 235) = ( 0.5000000 -0.0000000 0.2388451), wk = 0.0023585 k( 236) = ( 0.5000000 0.0121316 0.2388451), wk = 0.0023585 k( 237) = ( 0.5000000 0.0242633 0.2388451), wk = 0.0023585 k( 238) = ( 0.5000000 0.0363949 0.2388451), wk = 0.0023585 k( 239) = ( 0.5000000 0.0485266 0.2388451), wk = 0.0023585 k( 240) = ( 0.5000000 0.0606582 0.2388451), wk = 0.0023585 k( 241) = ( 0.5000000 0.0727898 0.2388451), wk = 0.0023585 k( 242) = ( 0.5000000 0.0849215 0.2388451), wk = 0.0023585 k( 243) = ( 0.5000000 0.0970531 0.2388451), wk = 0.0023585 k( 244) = ( 0.5000000 0.1091848 0.2388451), wk = 0.0023585 k( 245) = ( 0.5000000 0.1213164 0.2388451), wk = 0.0023585 k( 246) = ( 0.5000000 0.1334480 0.2388451), wk = 0.0023585 k( 247) = ( 0.5000000 0.1455797 0.2388451), wk = 0.0023585 k( 248) = ( 0.5000000 0.1577113 0.2388451), wk = 0.0023585 k( 249) = ( 0.5000000 0.1698429 0.2388451), wk = 0.0023585 k( 250) = ( 0.5000000 0.1819746 0.2388451), wk = 0.0023585 k( 251) = ( 0.5000000 0.1941062 0.2388451), wk = 0.0023585 k( 252) = ( 0.5000000 0.2062379 0.2388451), wk = 0.0023585 k( 253) = ( 0.5000000 0.2183695 0.2388451), wk = 0.0023585 k( 254) = ( 0.5000000 0.2305011 0.2388451), wk = 0.0023585 k( 255) = ( 0.5000000 0.2426328 0.2388451), wk = 0.0023585 k( 256) = ( 0.5000000 0.2547644 0.2388451), wk = 0.0023585 k( 257) = ( 0.5000000 0.2668960 0.2388451), wk = 0.0023585 k( 258) = ( 0.5000000 0.2790277 0.2388451), wk = 0.0023585 k( 259) = ( 0.5000000 0.2911593 0.2388451), wk = 0.0023585 k( 260) = ( 0.5000000 0.3032910 0.2388451), wk = 0.0023585 k( 261) = ( 0.5000000 0.3154226 0.2388451), wk = 0.0023585 k( 262) = ( 0.5000000 0.3275542 0.2388451), wk = 0.0023585 k( 263) = ( 0.5000000 0.3396859 0.2388451), wk = 0.0023585 k( 264) = ( 0.5000000 0.3518175 0.2388451), wk = 0.0023585 k( 265) = ( 0.5000000 0.3639492 0.2388451), wk = 0.0023585 k( 266) = ( 0.5000000 0.3760808 0.2388451), wk = 0.0023585 k( 267) = ( 0.5000000 0.3882124 0.2388451), wk = 0.0023585 k( 268) = ( 0.5000000 0.4003441 0.2388451), wk = 0.0023585 k( 269) = ( 0.5000000 0.4124757 0.2388451), wk = 0.0023585 k( 270) = ( 0.5000000 0.4246074 0.2388451), wk = 0.0023585 k( 271) = ( 0.5000000 0.4367390 0.2388451), wk = 0.0023585 k( 272) = ( 0.5000000 0.4488706 0.2388451), wk = 0.0023585 k( 273) = ( 0.5000000 0.4610023 0.2388451), wk = 0.0023585 k( 274) = ( 0.5000000 0.4731339 0.2388451), wk = 0.0023585 k( 275) = ( 0.5000000 0.4852656 0.2388451), wk = 0.0023585 k( 276) = ( 0.5000000 0.4973972 0.2388451), wk = 0.0023585 k( 277) = ( 0.5000000 0.4973972 0.2388451), wk = 0.0023585 k( 278) = ( 0.4880952 0.4973972 0.2388451), wk = 0.0023585 k( 279) = ( 0.4761905 0.4973972 0.2388451), wk = 0.0023585 k( 280) = ( 0.4642857 0.4973972 0.2388451), wk = 0.0023585 k( 281) = ( 0.4523810 0.4973972 0.2388451), wk = 0.0023585 k( 282) = ( 0.4404762 0.4973972 0.2388451), wk = 0.0023585 k( 283) = ( 0.4285714 0.4973972 0.2388451), wk = 0.0023585 k( 284) = ( 0.4166667 0.4973972 0.2388451), wk = 0.0023585 k( 285) = ( 0.4047619 0.4973972 0.2388451), wk = 0.0023585 k( 286) = ( 0.3928571 0.4973972 0.2388451), wk = 0.0023585 k( 287) = ( 0.3809524 0.4973972 0.2388451), wk = 0.0023585 k( 288) = ( 0.3690476 0.4973972 0.2388451), wk = 0.0023585 k( 289) = ( 0.3571429 0.4973972 0.2388451), wk = 0.0023585 k( 290) = ( 0.3452381 0.4973972 0.2388451), wk = 0.0023585 k( 291) = ( 0.3333333 0.4973972 0.2388451), wk = 0.0023585 k( 292) = ( 0.3214286 0.4973972 0.2388451), wk = 0.0023585 k( 293) = ( 0.3095238 0.4973972 0.2388451), wk = 0.0023585 k( 294) = ( 0.2976190 0.4973972 0.2388451), wk = 0.0023585 k( 295) = ( 0.2857143 0.4973972 0.2388451), wk = 0.0023585 k( 296) = ( 0.2738095 0.4973972 0.2388451), wk = 0.0023585 k( 297) = ( 0.2619048 0.4973972 0.2388451), wk = 0.0023585 k( 298) = ( 0.2500000 0.4973972 0.2388451), wk = 0.0023585 k( 299) = ( 0.2380952 0.4973972 0.2388451), wk = 0.0023585 k( 300) = ( 0.2261905 0.4973972 0.2388451), wk = 0.0023585 k( 301) = ( 0.2142857 0.4973972 0.2388451), wk = 0.0023585 k( 302) = ( 0.2023810 0.4973972 0.2388451), wk = 0.0023585 k( 303) = ( 0.1904762 0.4973972 0.2388451), wk = 0.0023585 k( 304) = ( 0.1785714 0.4973972 0.2388451), wk = 0.0023585 k( 305) = ( 0.1666667 0.4973972 0.2388451), wk = 0.0023585 k( 306) = ( 0.1547619 0.4973972 0.2388451), wk = 0.0023585 k( 307) = ( 0.1428571 0.4973972 0.2388451), wk = 0.0023585 k( 308) = ( 0.1309524 0.4973972 0.2388451), wk = 0.0023585 k( 309) = ( 0.1190476 0.4973972 0.2388451), wk = 0.0023585 k( 310) = ( 0.1071429 0.4973972 0.2388451), wk = 0.0023585 k( 311) = ( 0.0952381 0.4973972 0.2388451), wk = 0.0023585 k( 312) = ( 0.0833333 0.4973972 0.2388451), wk = 0.0023585 k( 313) = ( 0.0714286 0.4973972 0.2388451), wk = 0.0023585 k( 314) = ( 0.0595238 0.4973972 0.2388451), wk = 0.0023585 k( 315) = ( 0.0476191 0.4973972 0.2388451), wk = 0.0023585 k( 316) = ( 0.0357143 0.4973972 0.2388451), wk = 0.0023585 k( 317) = ( 0.0238095 0.4973972 0.2388451), wk = 0.0023585 k( 318) = ( 0.0119048 0.4973972 0.2388451), wk = 0.0023585 k( 319) = ( 0.0000000 0.4973972 0.2388451), wk = 0.0023585 k( 320) = ( 0.0000000 0.4973972 0.2388451), wk = 0.0023585 k( 321) = ( 0.0000000 0.4852656 0.2388451), wk = 0.0023585 k( 322) = ( 0.0000000 0.4731339 0.2388451), wk = 0.0023585 k( 323) = ( 0.0000000 0.4610023 0.2388451), wk = 0.0023585 k( 324) = ( 0.0000000 0.4488706 0.2388451), wk = 0.0023585 k( 325) = ( 0.0000000 0.4367390 0.2388451), wk = 0.0023585 k( 326) = ( 0.0000000 0.4246074 0.2388451), wk = 0.0023585 k( 327) = ( 0.0000000 0.4124757 0.2388451), wk = 0.0023585 k( 328) = ( 0.0000000 0.4003441 0.2388451), wk = 0.0023585 k( 329) = ( 0.0000000 0.3882124 0.2388451), wk = 0.0023585 k( 330) = ( 0.0000000 0.3760808 0.2388451), wk = 0.0023585 k( 331) = ( 0.0000000 0.3639492 0.2388451), wk = 0.0023585 k( 332) = ( 0.0000000 0.3518175 0.2388451), wk = 0.0023585 k( 333) = ( 0.0000000 0.3396859 0.2388451), wk = 0.0023585 k( 334) = ( 0.0000000 0.3275542 0.2388451), wk = 0.0023585 k( 335) = ( 0.0000000 0.3154226 0.2388451), wk = 0.0023585 k( 336) = ( 0.0000000 0.3032910 0.2388451), wk = 0.0023585 k( 337) = ( 0.0000000 0.2911593 0.2388451), wk = 0.0023585 k( 338) = ( 0.0000000 0.2790277 0.2388451), wk = 0.0023585 k( 339) = ( 0.0000000 0.2668960 0.2388451), wk = 0.0023585 k( 340) = ( 0.0000000 0.2547644 0.2388451), wk = 0.0023585 k( 341) = ( 0.0000000 0.2426328 0.2388451), wk = 0.0023585 k( 342) = ( 0.0000000 0.2305011 0.2388451), wk = 0.0023585 k( 343) = ( 0.0000000 0.2183695 0.2388451), wk = 0.0023585 k( 344) = ( 0.0000000 0.2062379 0.2388451), wk = 0.0023585 k( 345) = ( 0.0000000 0.1941062 0.2388451), wk = 0.0023585 k( 346) = ( 0.0000000 0.1819746 0.2388451), wk = 0.0023585 k( 347) = ( 0.0000000 0.1698429 0.2388451), wk = 0.0023585 k( 348) = ( 0.0000000 0.1577113 0.2388451), wk = 0.0023585 k( 349) = ( 0.0000000 0.1455797 0.2388451), wk = 0.0023585 k( 350) = ( 0.0000000 0.1334480 0.2388451), wk = 0.0023585 k( 351) = ( 0.0000000 0.1213164 0.2388451), wk = 0.0023585 k( 352) = ( 0.0000000 0.1091848 0.2388451), wk = 0.0023585 k( 353) = ( 0.0000000 0.0970531 0.2388451), wk = 0.0023585 k( 354) = ( 0.0000000 0.0849215 0.2388451), wk = 0.0023585 k( 355) = ( 0.0000000 0.0727898 0.2388451), wk = 0.0023585 k( 356) = ( 0.0000000 0.0606582 0.2388451), wk = 0.0023585 k( 357) = ( 0.0000000 0.0485266 0.2388451), wk = 0.0023585 k( 358) = ( 0.0000000 0.0363949 0.2388451), wk = 0.0023585 k( 359) = ( 0.0000000 0.0242633 0.2388451), wk = 0.0023585 k( 360) = ( 0.0000000 0.0121316 0.2388451), wk = 0.0023585 k( 361) = ( 0.0000000 0.0000000 0.2388451), wk = 0.0023585 k( 362) = ( 0.0000000 0.4973972 -0.0000000), wk = 0.0023585 k( 363) = ( 0.0000000 0.4973972 0.0119423), wk = 0.0023585 k( 364) = ( 0.0000000 0.4973972 0.0238845), wk = 0.0023585 k( 365) = ( 0.0000000 0.4973972 0.0358268), wk = 0.0023585 k( 366) = ( 0.0000000 0.4973972 0.0477690), wk = 0.0023585 k( 367) = ( 0.0000000 0.4973972 0.0597113), wk = 0.0023585 k( 368) = ( 0.0000000 0.4973972 0.0716535), wk = 0.0023585 k( 369) = ( 0.0000000 0.4973972 0.0835958), wk = 0.0023585 k( 370) = ( 0.0000000 0.4973972 0.0955381), wk = 0.0023585 k( 371) = ( 0.0000000 0.4973972 0.1074803), wk = 0.0023585 k( 372) = ( 0.0000000 0.4973972 0.1194226), wk = 0.0023585 k( 373) = ( 0.0000000 0.4973972 0.1313648), wk = 0.0023585 k( 374) = ( 0.0000000 0.4973972 0.1433071), wk = 0.0023585 k( 375) = ( 0.0000000 0.4973972 0.1552493), wk = 0.0023585 k( 376) = ( 0.0000000 0.4973972 0.1671916), wk = 0.0023585 k( 377) = ( 0.0000000 0.4973972 0.1791339), wk = 0.0023585 k( 378) = ( 0.0000000 0.4973972 0.1910761), wk = 0.0023585 k( 379) = ( 0.0000000 0.4973972 0.2030184), wk = 0.0023585 k( 380) = ( 0.0000000 0.4973972 0.2149606), wk = 0.0023585 k( 381) = ( 0.0000000 0.4973972 0.2269029), wk = 0.0023585 k( 382) = ( 0.0000000 0.4973972 0.2388451), wk = 0.0023585 k( 383) = ( 0.5000000 -0.0000000 0.2388451), wk = 0.0023585 k( 384) = ( 0.5000000 -0.0000000 0.2269029), wk = 0.0023585 k( 385) = ( 0.5000000 -0.0000000 0.2149606), wk = 0.0023585 k( 386) = ( 0.5000000 -0.0000000 0.2030184), wk = 0.0023585 k( 387) = ( 0.5000000 -0.0000000 0.1910761), wk = 0.0023585 k( 388) = ( 0.5000000 -0.0000000 0.1791339), wk = 0.0023585 k( 389) = ( 0.5000000 -0.0000000 0.1671916), wk = 0.0023585 k( 390) = ( 0.5000000 -0.0000000 0.1552493), wk = 0.0023585 k( 391) = ( 0.5000000 -0.0000000 0.1433071), wk = 0.0023585 k( 392) = ( 0.5000000 -0.0000000 0.1313648), wk = 0.0023585 k( 393) = ( 0.5000000 -0.0000000 0.1194226), wk = 0.0023585 k( 394) = ( 0.5000000 -0.0000000 0.1074803), wk = 0.0023585 k( 395) = ( 0.5000000 -0.0000000 0.0955381), wk = 0.0023585 k( 396) = ( 0.5000000 -0.0000000 0.0835958), wk = 0.0023585 k( 397) = ( 0.5000000 -0.0000000 0.0716535), wk = 0.0023585 k( 398) = ( 0.5000000 -0.0000000 0.0597113), wk = 0.0023585 k( 399) = ( 0.5000000 -0.0000000 0.0477690), wk = 0.0023585 k( 400) = ( 0.5000000 -0.0000000 0.0358268), wk = 0.0023585 k( 401) = ( 0.5000000 -0.0000000 0.0238845), wk = 0.0023585 k( 402) = ( 0.5000000 -0.0000000 0.0119423), wk = 0.0023585 k( 403) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 404) = ( 0.5000000 0.4973972 -0.0000000), wk = 0.0023585 k( 405) = ( 0.5000000 0.4973972 0.0119423), wk = 0.0023585 k( 406) = ( 0.5000000 0.4973972 0.0238845), wk = 0.0023585 k( 407) = ( 0.5000000 0.4973972 0.0358268), wk = 0.0023585 k( 408) = ( 0.5000000 0.4973972 0.0477690), wk = 0.0023585 k( 409) = ( 0.5000000 0.4973972 0.0597113), wk = 0.0023585 k( 410) = ( 0.5000000 0.4973972 0.0716535), wk = 0.0023585 k( 411) = ( 0.5000000 0.4973972 0.0835958), wk = 0.0023585 k( 412) = ( 0.5000000 0.4973972 0.0955381), wk = 0.0023585 k( 413) = ( 0.5000000 0.4973972 0.1074803), wk = 0.0023585 k( 414) = ( 0.5000000 0.4973972 0.1194226), wk = 0.0023585 k( 415) = ( 0.5000000 0.4973972 0.1313648), wk = 0.0023585 k( 416) = ( 0.5000000 0.4973972 0.1433071), wk = 0.0023585 k( 417) = ( 0.5000000 0.4973972 0.1552493), wk = 0.0023585 k( 418) = ( 0.5000000 0.4973972 0.1671916), wk = 0.0023585 k( 419) = ( 0.5000000 0.4973972 0.1791339), wk = 0.0023585 k( 420) = ( 0.5000000 0.4973972 0.1910761), wk = 0.0023585 k( 421) = ( 0.5000000 0.4973972 0.2030184), wk = 0.0023585 k( 422) = ( 0.5000000 0.4973972 0.2149606), wk = 0.0023585 k( 423) = ( 0.5000000 0.4973972 0.2269029), wk = 0.0023585 k( 424) = ( 0.5000000 0.4973972 0.2388451), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0023585 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0023585 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0023585 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0023585 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0023585 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0023585 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0023585 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0023585 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0023585 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0023585 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0023585 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0023585 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0023585 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0023585 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0023585 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0023585 k( 18) = ( 0.2023810 -0.0000000 0.0000000), wk = 0.0023585 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0023585 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0023585 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023585 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0023585 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0023585 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0023585 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0023585 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0023585 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0023585 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0023585 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0023585 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0023585 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.4047619 -0.0000000 0.0000000), wk = 0.0023585 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0023585 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0023585 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0023585 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0023585 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0023585 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0023585 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0023585 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 45) = ( 0.5000000 0.0121951 0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 0.0243902 0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 0.0365854 0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0487805 0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.0609756 0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0731707 0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0853658 0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0975610 0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.1097561 0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.1219512 0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.1341463 0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.1463415 0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.1585366 0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.1707317 0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1829268 0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1951219 0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.2073171 0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.2195122 0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.2317073 0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.2439024 0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.2560976 0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.2682927 0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.2804878 0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2926829 0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.3048781 0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.3170732 0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.3292683 0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.3414634 0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.3536585 0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.3658537 0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.3780488 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.3902439 0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.4024390 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.4146341 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.4268293 0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.4390244 0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.4512195 0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.4634146 0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.4756098 0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.4878049 0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 87) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0023585 k( 88) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0023585 k( 89) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0023585 k( 90) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0023585 k( 91) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0023585 k( 92) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0023585 k( 93) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0023585 k( 94) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0023585 k( 95) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0023585 k( 96) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0023585 k( 97) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0023585 k( 98) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0023585 k( 99) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0023585 k( 100) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0023585 k( 101) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0023585 k( 102) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0023585 k( 103) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0023585 k( 104) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0023585 k( 105) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0023585 k( 106) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0023585 k( 107) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023585 k( 108) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0023585 k( 109) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0023585 k( 110) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0023585 k( 111) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0023585 k( 112) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0023585 k( 113) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0023585 k( 114) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0023585 k( 115) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0023585 k( 116) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0023585 k( 117) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0023585 k( 118) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0023585 k( 119) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0023585 k( 120) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0023585 k( 121) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0023585 k( 122) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0023585 k( 123) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0023585 k( 124) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0023585 k( 125) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0023585 k( 126) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0023585 k( 127) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0023585 k( 128) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 130) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0023585 k( 131) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 193) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0023585 k( 194) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0023585 k( 195) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0023585 k( 196) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0023585 k( 197) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0023585 k( 198) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0023585 k( 199) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0023585 k( 200) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0023585 k( 201) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0023585 k( 202) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0023585 k( 203) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0023585 k( 204) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0023585 k( 205) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0023585 k( 206) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0023585 k( 207) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0023585 k( 208) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0023585 k( 209) = ( 0.2023810 -0.0000000 0.5000000), wk = 0.0023585 k( 210) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0023585 k( 211) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0023585 k( 212) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0023585 k( 213) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023585 k( 214) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0023585 k( 215) = ( 0.2738095 0.0000000 0.5000000), wk = 0.0023585 k( 216) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0023585 k( 217) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0023585 k( 218) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0023585 k( 219) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0023585 k( 220) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0023585 k( 221) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0023585 k( 222) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0023585 k( 223) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0023585 k( 224) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0023585 k( 225) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0023585 k( 226) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0023585 k( 227) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0023585 k( 228) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0023585 k( 229) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0023585 k( 230) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0023585 k( 231) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0023585 k( 232) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0023585 k( 233) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0023585 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 236) = ( 0.5000000 0.0121951 0.5000000), wk = 0.0023585 k( 237) = ( 0.5000000 0.0243902 0.5000000), wk = 0.0023585 k( 238) = ( 0.5000000 0.0365854 0.5000000), wk = 0.0023585 k( 239) = ( 0.5000000 0.0487805 0.5000000), wk = 0.0023585 k( 240) = ( 0.5000000 0.0609756 0.5000000), wk = 0.0023585 k( 241) = ( 0.5000000 0.0731707 0.5000000), wk = 0.0023585 k( 242) = ( 0.5000000 0.0853658 0.5000000), wk = 0.0023585 k( 243) = ( 0.5000000 0.0975610 0.5000000), wk = 0.0023585 k( 244) = ( 0.5000000 0.1097561 0.5000000), wk = 0.0023585 k( 245) = ( 0.5000000 0.1219512 0.5000000), wk = 0.0023585 k( 246) = ( 0.5000000 0.1341463 0.5000000), wk = 0.0023585 k( 247) = ( 0.5000000 0.1463415 0.5000000), wk = 0.0023585 k( 248) = ( 0.5000000 0.1585366 0.5000000), wk = 0.0023585 k( 249) = ( 0.5000000 0.1707317 0.5000000), wk = 0.0023585 k( 250) = ( 0.5000000 0.1829268 0.5000000), wk = 0.0023585 k( 251) = ( 0.5000000 0.1951219 0.5000000), wk = 0.0023585 k( 252) = ( 0.5000000 0.2073171 0.5000000), wk = 0.0023585 k( 253) = ( 0.5000000 0.2195122 0.5000000), wk = 0.0023585 k( 254) = ( 0.5000000 0.2317073 0.5000000), wk = 0.0023585 k( 255) = ( 0.5000000 0.2439024 0.5000000), wk = 0.0023585 k( 256) = ( 0.5000000 0.2560976 0.5000000), wk = 0.0023585 k( 257) = ( 0.5000000 0.2682927 0.5000000), wk = 0.0023585 k( 258) = ( 0.5000000 0.2804878 0.5000000), wk = 0.0023585 k( 259) = ( 0.5000000 0.2926829 0.5000000), wk = 0.0023585 k( 260) = ( 0.5000000 0.3048781 0.5000000), wk = 0.0023585 k( 261) = ( 0.5000000 0.3170732 0.5000000), wk = 0.0023585 k( 262) = ( 0.5000000 0.3292683 0.5000000), wk = 0.0023585 k( 263) = ( 0.5000000 0.3414634 0.5000000), wk = 0.0023585 k( 264) = ( 0.5000000 0.3536585 0.5000000), wk = 0.0023585 k( 265) = ( 0.5000000 0.3658537 0.5000000), wk = 0.0023585 k( 266) = ( 0.5000000 0.3780488 0.5000000), wk = 0.0023585 k( 267) = ( 0.5000000 0.3902439 0.5000000), wk = 0.0023585 k( 268) = ( 0.5000000 0.4024390 0.5000000), wk = 0.0023585 k( 269) = ( 0.5000000 0.4146341 0.5000000), wk = 0.0023585 k( 270) = ( 0.5000000 0.4268293 0.5000000), wk = 0.0023585 k( 271) = ( 0.5000000 0.4390244 0.5000000), wk = 0.0023585 k( 272) = ( 0.5000000 0.4512195 0.5000000), wk = 0.0023585 k( 273) = ( 0.5000000 0.4634146 0.5000000), wk = 0.0023585 k( 274) = ( 0.5000000 0.4756098 0.5000000), wk = 0.0023585 k( 275) = ( 0.5000000 0.4878049 0.5000000), wk = 0.0023585 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 278) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0023585 k( 279) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0023585 k( 280) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0023585 k( 281) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0023585 k( 282) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0023585 k( 283) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0023585 k( 284) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0023585 k( 285) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0023585 k( 286) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0023585 k( 287) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0023585 k( 288) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0023585 k( 289) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0023585 k( 290) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0023585 k( 291) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023585 k( 292) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0023585 k( 293) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0023585 k( 294) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0023585 k( 295) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0023585 k( 296) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0023585 k( 297) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0023585 k( 298) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023585 k( 299) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0023585 k( 300) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0023585 k( 301) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0023585 k( 302) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0023585 k( 303) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0023585 k( 304) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0023585 k( 305) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023585 k( 306) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0023585 k( 307) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0023585 k( 308) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0023585 k( 309) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0023585 k( 310) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0023585 k( 311) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0023585 k( 312) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0023585 k( 313) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0023585 k( 314) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0023585 k( 315) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0023585 k( 316) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0023585 k( 317) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0023585 k( 318) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0023585 k( 319) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 321) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0023585 k( 322) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0023585 k( 323) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0023585 k( 324) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0023585 k( 325) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0023585 k( 326) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0023585 k( 327) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0023585 k( 328) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0023585 k( 329) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0023585 k( 330) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0023585 k( 331) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0023585 k( 332) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0023585 k( 333) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0023585 k( 334) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0023585 k( 335) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0023585 k( 336) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0023585 k( 337) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0023585 k( 338) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0023585 k( 339) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0023585 k( 340) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0023585 k( 341) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0023585 k( 342) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0023585 k( 343) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0023585 k( 344) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0023585 k( 345) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0023585 k( 346) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0023585 k( 347) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0023585 k( 348) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0023585 k( 349) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0023585 k( 350) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0023585 k( 351) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0023585 k( 352) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0023585 k( 353) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0023585 k( 354) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0023585 k( 355) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0023585 k( 356) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0023585 k( 357) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0023585 k( 358) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0023585 k( 359) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0023585 k( 360) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0023585 k( 361) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 362) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 363) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0023585 k( 364) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0023585 k( 365) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0023585 k( 366) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023585 k( 367) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023585 k( 368) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0023585 k( 369) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0023585 k( 370) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023585 k( 371) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0023585 k( 372) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023585 k( 373) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0023585 k( 374) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023585 k( 375) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0023585 k( 376) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0023585 k( 377) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023585 k( 378) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023585 k( 379) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0023585 k( 380) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0023585 k( 381) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0023585 k( 382) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 384) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0023585 k( 385) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0023585 k( 386) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0023585 k( 387) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023585 k( 388) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023585 k( 389) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0023585 k( 390) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0023585 k( 391) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023585 k( 392) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0023585 k( 393) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023585 k( 394) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0023585 k( 395) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023585 k( 396) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0023585 k( 397) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0023585 k( 398) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023585 k( 399) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023585 k( 400) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0023585 k( 401) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0023585 k( 402) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0023585 k( 403) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 404) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 405) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0023585 k( 406) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0023585 k( 407) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0023585 k( 408) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023585 k( 409) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0023585 k( 410) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0023585 k( 411) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0023585 k( 412) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023585 k( 413) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0023585 k( 414) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0023585 k( 415) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0023585 k( 416) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023585 k( 417) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0023585 k( 418) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0023585 k( 419) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0023585 k( 420) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023585 k( 421) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0023585 k( 422) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0023585 k( 423) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0023585 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 Dense grid: 78507 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 33385 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 238, 40) NL pseudopotentials 0.16 Mb ( 119, 88) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2184) G-vector shells 0.01 Mb ( 1075) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 238, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 88, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BH8N.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.5 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.7 secs Computing kpt #: 21 total cpu time spent up to now is 9.1 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 9.9 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.3 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.5 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.1 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.4 secs Computing kpt #: 37 total cpu time spent up to now is 14.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.4 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.3 secs Computing kpt #: 43 total cpu time spent up to now is 16.7 secs Computing kpt #: 44 total cpu time spent up to now is 17.0 secs Computing kpt #: 45 total cpu time spent up to now is 17.3 secs Computing kpt #: 46 total cpu time spent up to now is 17.6 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.3 secs Computing kpt #: 49 total cpu time spent up to now is 18.6 secs Computing kpt #: 50 total cpu time spent up to now is 19.0 secs Computing kpt #: 51 total cpu time spent up to now is 19.3 secs Computing kpt #: 52 total cpu time spent up to now is 19.7 secs Computing kpt #: 53 total cpu time spent up to now is 20.1 secs Computing kpt #: 54 total cpu time spent up to now is 20.5 secs Computing kpt #: 55 total cpu time spent up to now is 20.9 secs Computing kpt #: 56 total cpu time spent up to now is 21.3 secs Computing kpt #: 57 total cpu time spent up to now is 21.7 secs Computing kpt #: 58 total cpu time spent up to now is 22.1 secs Computing kpt #: 59 total cpu time spent up to now is 22.5 secs Computing kpt #: 60 total cpu time spent up to now is 22.9 secs Computing kpt #: 61 total cpu time spent up to now is 23.2 secs Computing kpt #: 62 total cpu time spent up to now is 23.6 secs Computing kpt #: 63 total cpu time spent up to now is 23.9 secs Computing kpt #: 64 total cpu time spent up to now is 24.2 secs Computing kpt #: 65 total cpu time spent up to now is 24.6 secs Computing kpt #: 66 total cpu time spent up to now is 24.9 secs Computing kpt #: 67 total cpu time spent up to now is 25.2 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.9 secs Computing kpt #: 70 total cpu time spent up to now is 26.2 secs Computing kpt #: 71 total cpu time spent up to now is 26.5 secs Computing kpt #: 72 total cpu time spent up to now is 26.8 secs Computing kpt #: 73 total cpu time spent up to now is 27.1 secs Computing kpt #: 74 total cpu time spent up to now is 27.5 secs Computing kpt #: 75 total cpu time spent up to now is 27.8 secs Computing kpt #: 76 total cpu time spent up to now is 28.1 secs Computing kpt #: 77 total cpu time spent up to now is 28.4 secs Computing kpt #: 78 total cpu time spent up to now is 28.7 secs Computing kpt #: 79 total cpu time spent up to now is 29.0 secs Computing kpt #: 80 total cpu time spent up to now is 29.3 secs Computing kpt #: 81 total cpu time spent up to now is 29.7 secs Computing kpt #: 82 total cpu time spent up to now is 30.0 secs Computing kpt #: 83 total cpu time spent up to now is 30.3 secs Computing kpt #: 84 total cpu time spent up to now is 30.6 secs Computing kpt #: 85 total cpu time spent up to now is 30.9 secs Computing kpt #: 86 total cpu time spent up to now is 31.2 secs Computing kpt #: 87 total cpu time spent up to now is 31.5 secs Computing kpt #: 88 total cpu time spent up to now is 31.8 secs Computing kpt #: 89 total cpu time spent up to now is 32.1 secs Computing kpt #: 90 total cpu time spent up to now is 32.5 secs Computing kpt #: 91 total cpu time spent up to now is 32.8 secs Computing kpt #: 92 total cpu time spent up to now is 33.1 secs Computing kpt #: 93 total cpu time spent up to now is 33.4 secs Computing kpt #: 94 total cpu time spent up to now is 33.7 secs Computing kpt #: 95 total cpu time spent up to now is 34.1 secs Computing kpt #: 96 total cpu time spent up to now is 34.4 secs Computing kpt #: 97 total cpu time spent up to now is 34.7 secs Computing kpt #: 98 total cpu time spent up to now is 35.1 secs Computing kpt #: 99 total cpu time spent up to now is 35.4 secs Computing kpt #: 100 total cpu time spent up to now is 35.7 secs Computing kpt #: 101 total cpu time spent up to now is 36.1 secs Computing kpt #: 102 total cpu time spent up to now is 36.4 secs Computing kpt #: 103 total cpu time spent up to now is 36.7 secs Computing kpt #: 104 total cpu time spent up to now is 37.1 secs Computing kpt #: 105 total cpu time spent up to now is 37.4 secs Computing kpt #: 106 total cpu time spent up to now is 37.7 secs Computing kpt #: 107 total cpu time spent up to now is 38.1 secs Computing kpt #: 108 total cpu time spent up to now is 38.4 secs Computing kpt #: 109 total cpu time spent up to now is 38.7 secs Computing kpt #: 110 total cpu time spent up to now is 39.1 secs Computing kpt #: 111 total cpu time spent up to now is 39.4 secs Computing kpt #: 112 total cpu time spent up to now is 39.7 secs Computing kpt #: 113 total cpu time spent up to now is 40.1 secs Computing kpt #: 114 total cpu time spent up to now is 40.4 secs Computing kpt #: 115 total cpu time spent up to now is 40.8 secs Computing kpt #: 116 total cpu time spent up to now is 41.1 secs Computing kpt #: 117 total cpu time spent up to now is 41.4 secs Computing kpt #: 118 total cpu time spent up to now is 41.8 secs Computing kpt #: 119 total cpu time spent up to now is 42.1 secs Computing kpt #: 120 total cpu time spent up to now is 42.4 secs Computing kpt #: 121 total cpu time spent up to now is 42.7 secs Computing kpt #: 122 total cpu time spent up to now is 43.1 secs Computing kpt #: 123 total cpu time spent up to now is 43.4 secs Computing kpt #: 124 total cpu time spent up to now is 43.7 secs Computing kpt #: 125 total cpu time spent up to now is 44.1 secs Computing kpt #: 126 total cpu time spent up to now is 44.4 secs Computing kpt #: 127 total cpu time spent up to now is 44.7 secs Computing kpt #: 128 total cpu time spent up to now is 45.0 secs Computing kpt #: 129 total cpu time spent up to now is 45.3 secs Computing kpt #: 130 total cpu time spent up to now is 45.6 secs Computing kpt #: 131 total cpu time spent up to now is 45.9 secs Computing kpt #: 132 total cpu time spent up to now is 46.2 secs Computing kpt #: 133 total cpu time spent up to now is 46.5 secs Computing kpt #: 134 total cpu time spent up to now is 46.8 secs Computing kpt #: 135 total cpu time spent up to now is 47.1 secs Computing kpt #: 136 total cpu time spent up to now is 47.4 secs Computing kpt #: 137 total cpu time spent up to now is 47.7 secs Computing kpt #: 138 total cpu time spent up to now is 48.1 secs Computing kpt #: 139 total cpu time spent up to now is 48.4 secs Computing kpt #: 140 total cpu time spent up to now is 48.7 secs Computing kpt #: 141 total cpu time spent up to now is 49.1 secs Computing kpt #: 142 total cpu time spent up to now is 49.4 secs Computing kpt #: 143 total cpu time spent up to now is 49.7 secs Computing kpt #: 144 total cpu time spent up to now is 50.1 secs Computing kpt #: 145 total cpu time spent up to now is 50.5 secs Computing kpt #: 146 total cpu time spent up to now is 50.8 secs Computing kpt #: 147 total cpu time spent up to now is 51.1 secs Computing kpt #: 148 total cpu time spent up to now is 51.5 secs Computing kpt #: 149 total cpu time spent up to now is 51.9 secs Computing kpt #: 150 total cpu time spent up to now is 52.3 secs Computing kpt #: 151 total cpu time spent up to now is 52.7 secs Computing kpt #: 152 total cpu time spent up to now is 53.1 secs Computing kpt #: 153 total cpu time spent up to now is 53.5 secs Computing kpt #: 154 total cpu time spent up to now is 54.0 secs Computing kpt #: 155 total cpu time spent up to now is 54.4 secs Computing kpt #: 156 total cpu time spent up to now is 54.8 secs Computing kpt #: 157 total cpu time spent up to now is 55.2 secs Computing kpt #: 158 total cpu time spent up to now is 55.6 secs Computing kpt #: 159 total cpu time spent up to now is 56.0 secs Computing kpt #: 160 total cpu time spent up to now is 56.3 secs Computing kpt #: 161 total cpu time spent up to now is 56.7 secs Computing kpt #: 162 total cpu time spent up to now is 57.1 secs Computing kpt #: 163 total cpu time spent up to now is 57.5 secs Computing kpt #: 164 total cpu time spent up to now is 57.8 secs Computing kpt #: 165 total cpu time spent up to now is 58.1 secs Computing kpt #: 166 total cpu time spent up to now is 58.5 secs Computing kpt #: 167 total cpu time spent up to now is 58.9 secs Computing kpt #: 168 total cpu time spent up to now is 59.2 secs Computing kpt #: 169 total cpu time spent up to now is 59.6 secs Computing kpt #: 170 total cpu time spent up to now is 59.9 secs Computing kpt #: 171 total cpu time spent up to now is 60.3 secs Computing kpt #: 172 total cpu time spent up to now is 60.7 secs Computing kpt #: 173 total cpu time spent up to now is 61.1 secs Computing kpt #: 174 total cpu time spent up to now is 61.5 secs Computing kpt #: 175 total cpu time spent up to now is 61.8 secs Computing kpt #: 176 total cpu time spent up to now is 62.2 secs Computing kpt #: 177 total cpu time spent up to now is 62.5 secs Computing kpt #: 178 total cpu time spent up to now is 62.9 secs Computing kpt #: 179 total cpu time spent up to now is 63.3 secs Computing kpt #: 180 total cpu time spent up to now is 63.6 secs Computing kpt #: 181 total cpu time spent up to now is 63.9 secs Computing kpt #: 182 total cpu time spent up to now is 64.3 secs Computing kpt #: 183 total cpu time spent up to now is 64.7 secs Computing kpt #: 184 total cpu time spent up to now is 65.0 secs Computing kpt #: 185 total cpu time spent up to now is 65.3 secs Computing kpt #: 186 total cpu time spent up to now is 65.7 secs Computing kpt #: 187 total cpu time spent up to now is 66.0 secs Computing kpt #: 188 total cpu time spent up to now is 66.4 secs Computing kpt #: 189 total cpu time spent up to now is 66.7 secs Computing kpt #: 190 total cpu time spent up to now is 67.1 secs Computing kpt #: 191 total cpu time spent up to now is 67.4 secs Computing kpt #: 192 total cpu time spent up to now is 67.7 secs Computing kpt #: 193 total cpu time spent up to now is 68.1 secs Computing kpt #: 194 total cpu time spent up to now is 68.4 secs Computing kpt #: 195 total cpu time spent up to now is 68.8 secs Computing kpt #: 196 total cpu time spent up to now is 69.1 secs Computing kpt #: 197 total cpu time spent up to now is 69.5 secs Computing kpt #: 198 total cpu time spent up to now is 69.9 secs Computing kpt #: 199 total cpu time spent up to now is 70.2 secs Computing kpt #: 200 total cpu time spent up to now is 70.5 secs Computing kpt #: 201 total cpu time spent up to now is 70.9 secs Computing kpt #: 202 total cpu time spent up to now is 71.3 secs Computing kpt #: 203 total cpu time spent up to now is 71.7 secs Computing kpt #: 204 total cpu time spent up to now is 72.1 secs Computing kpt #: 205 total cpu time spent up to now is 72.4 secs Computing kpt #: 206 total cpu time spent up to now is 72.8 secs Computing kpt #: 207 total cpu time spent up to now is 73.1 secs Computing kpt #: 208 total cpu time spent up to now is 73.5 secs Computing kpt #: 209 total cpu time spent up to now is 73.9 secs Computing kpt #: 210 total cpu time spent up to now is 74.3 secs Computing kpt #: 211 total cpu time spent up to now is 74.6 secs Computing kpt #: 212 total cpu time spent up to now is 74.9 secs Computing kpt #: 213 total cpu time spent up to now is 75.3 secs Computing kpt #: 214 total cpu time spent up to now is 75.7 secs Computing kpt #: 215 total cpu time spent up to now is 76.1 secs Computing kpt #: 216 total cpu time spent up to now is 76.5 secs Computing kpt #: 217 total cpu time spent up to now is 76.8 secs Computing kpt #: 218 total cpu time spent up to now is 77.1 secs Computing kpt #: 219 total cpu time spent up to now is 77.5 secs Computing kpt #: 220 total cpu time spent up to now is 77.9 secs Computing kpt #: 221 total cpu time spent up to now is 78.3 secs Computing kpt #: 222 total cpu time spent up to now is 78.6 secs Computing kpt #: 223 total cpu time spent up to now is 78.9 secs Computing kpt #: 224 total cpu time spent up to now is 79.3 secs Computing kpt #: 225 total cpu time spent up to now is 79.6 secs Computing kpt #: 226 total cpu time spent up to now is 80.0 secs Computing kpt #: 227 total cpu time spent up to now is 80.3 secs Computing kpt #: 228 total cpu time spent up to now is 80.7 secs Computing kpt #: 229 total cpu time spent up to now is 81.0 secs Computing kpt #: 230 total cpu time spent up to now is 81.3 secs Computing kpt #: 231 total cpu time spent up to now is 81.6 secs Computing kpt #: 232 total cpu time spent up to now is 81.9 secs Computing kpt #: 233 total cpu time spent up to now is 82.3 secs Computing kpt #: 234 total cpu time spent up to now is 82.6 secs Computing kpt #: 235 total cpu time spent up to now is 82.9 secs Computing kpt #: 236 total cpu time spent up to now is 83.3 secs Computing kpt #: 237 total cpu time spent up to now is 83.6 secs Computing kpt #: 238 total cpu time spent up to now is 83.9 secs Computing kpt #: 239 total cpu time spent up to now is 84.2 secs Computing kpt #: 240 total cpu time spent up to now is 84.6 secs Computing kpt #: 241 total cpu time spent up to now is 84.9 secs Computing kpt #: 242 total cpu time spent up to now is 85.3 secs Computing kpt #: 243 total cpu time spent up to now is 85.6 secs Computing kpt #: 244 total cpu time spent up to now is 85.9 secs Computing kpt #: 245 total cpu time spent up to now is 86.3 secs Computing kpt #: 246 total cpu time spent up to now is 86.6 secs Computing kpt #: 247 total cpu time spent up to now is 86.9 secs Computing kpt #: 248 total cpu time spent up to now is 87.3 secs Computing kpt #: 249 total cpu time spent up to now is 87.6 secs Computing kpt #: 250 total cpu time spent up to now is 88.0 secs Computing kpt #: 251 total cpu time spent up to now is 88.3 secs Computing kpt #: 252 total cpu time spent up to now is 88.7 secs Computing kpt #: 253 total cpu time spent up to now is 89.0 secs Computing kpt #: 254 total cpu time spent up to now is 89.3 secs Computing kpt #: 255 total cpu time spent up to now is 89.7 secs Computing kpt #: 256 total cpu time spent up to now is 90.0 secs Computing kpt #: 257 total cpu time spent up to now is 90.3 secs Computing kpt #: 258 total cpu time spent up to now is 90.7 secs Computing kpt #: 259 total cpu time spent up to now is 91.0 secs Computing kpt #: 260 total cpu time spent up to now is 91.3 secs Computing kpt #: 261 total cpu time spent up to now is 91.7 secs Computing kpt #: 262 total cpu time spent up to now is 92.0 secs Computing kpt #: 263 total cpu time spent up to now is 92.4 secs Computing kpt #: 264 total cpu time spent up to now is 93.1 secs Computing kpt #: 265 total cpu time spent up to now is 93.5 secs Computing kpt #: 266 total cpu time spent up to now is 93.8 secs Computing kpt #: 267 total cpu time spent up to now is 94.1 secs Computing kpt #: 268 total cpu time spent up to now is 94.4 secs Computing kpt #: 269 total cpu time spent up to now is 94.8 secs Computing kpt #: 270 total cpu time spent up to now is 95.1 secs Computing kpt #: 271 total cpu time spent up to now is 95.5 secs Computing kpt #: 272 total cpu time spent up to now is 95.8 secs Computing kpt #: 273 total cpu time spent up to now is 96.1 secs Computing kpt #: 274 total cpu time spent up to now is 96.5 secs Computing kpt #: 275 total cpu time spent up to now is 96.8 secs Computing kpt #: 276 total cpu time spent up to now is 97.1 secs Computing kpt #: 277 total cpu time spent up to now is 97.5 secs Computing kpt #: 278 total cpu time spent up to now is 97.8 secs Computing kpt #: 279 total cpu time spent up to now is 98.1 secs Computing kpt #: 280 total cpu time spent up to now is 98.5 secs Computing kpt #: 281 total cpu time spent up to now is 98.8 secs Computing kpt #: 282 total cpu time spent up to now is 99.1 secs Computing kpt #: 283 total cpu time spent up to now is 99.5 secs Computing kpt #: 284 total cpu time spent up to now is 99.8 secs Computing kpt #: 285 total cpu time spent up to now is 100.1 secs Computing kpt #: 286 total cpu time spent up to now is 100.4 secs Computing kpt #: 287 total cpu time spent up to now is 100.7 secs Computing kpt #: 288 total cpu time spent up to now is 101.0 secs Computing kpt #: 289 total cpu time spent up to now is 101.3 secs Computing kpt #: 290 total cpu time spent up to now is 101.7 secs Computing kpt #: 291 total cpu time spent up to now is 101.9 secs Computing kpt #: 292 total cpu time spent up to now is 102.3 secs Computing kpt #: 293 total cpu time spent up to now is 102.6 secs Computing kpt #: 294 total cpu time spent up to now is 102.9 secs Computing kpt #: 295 total cpu time spent up to now is 103.3 secs Computing kpt #: 296 total cpu time spent up to now is 103.6 secs Computing kpt #: 297 total cpu time spent up to now is 103.9 secs Computing kpt #: 298 total cpu time spent up to now is 104.3 secs Computing kpt #: 299 total cpu time spent up to now is 104.7 secs Computing kpt #: 300 total cpu time spent up to now is 105.0 secs Computing kpt #: 301 total cpu time spent up to now is 105.3 secs Computing kpt #: 302 total cpu time spent up to now is 105.6 secs Computing kpt #: 303 total cpu time spent up to now is 105.9 secs Computing kpt #: 304 total cpu time spent up to now is 106.3 secs Computing kpt #: 305 total cpu time spent up to now is 106.6 secs Computing kpt #: 306 total cpu time spent up to now is 106.9 secs Computing kpt #: 307 total cpu time spent up to now is 107.2 secs Computing kpt #: 308 total cpu time spent up to now is 107.5 secs Computing kpt #: 309 total cpu time spent up to now is 107.8 secs Computing kpt #: 310 total cpu time spent up to now is 108.1 secs Computing kpt #: 311 total cpu time spent up to now is 108.4 secs Computing kpt #: 312 total cpu time spent up to now is 108.7 secs Computing kpt #: 313 total cpu time spent up to now is 109.0 secs Computing kpt #: 314 total cpu time spent up to now is 109.3 secs Computing kpt #: 315 total cpu time spent up to now is 109.7 secs Computing kpt #: 316 total cpu time spent up to now is 109.9 secs Computing kpt #: 317 total cpu time spent up to now is 110.3 secs Computing kpt #: 318 total cpu time spent up to now is 110.5 secs Computing kpt #: 319 total cpu time spent up to now is 110.9 secs Computing kpt #: 320 total cpu time spent up to now is 111.1 secs Computing kpt #: 321 total cpu time spent up to now is 111.5 secs Computing kpt #: 322 total cpu time spent up to now is 111.7 secs Computing kpt #: 323 total cpu time spent up to now is 112.1 secs Computing kpt #: 324 total cpu time spent up to now is 112.3 secs Computing kpt #: 325 total cpu time spent up to now is 112.7 secs Computing kpt #: 326 total cpu time spent up to now is 113.0 secs Computing kpt #: 327 total cpu time spent up to now is 113.3 secs Computing kpt #: 328 total cpu time spent up to now is 113.6 secs Computing kpt #: 329 total cpu time spent up to now is 113.9 secs Computing kpt #: 330 total cpu time spent up to now is 114.2 secs Computing kpt #: 331 total cpu time spent up to now is 114.5 secs Computing kpt #: 332 total cpu time spent up to now is 114.8 secs Computing kpt #: 333 total cpu time spent up to now is 115.1 secs Computing kpt #: 334 total cpu time spent up to now is 115.4 secs Computing kpt #: 335 total cpu time spent up to now is 115.7 secs Computing kpt #: 336 total cpu time spent up to now is 116.1 secs Computing kpt #: 337 total cpu time spent up to now is 116.4 secs Computing kpt #: 338 total cpu time spent up to now is 116.7 secs Computing kpt #: 339 total cpu time spent up to now is 117.1 secs Computing kpt #: 340 total cpu time spent up to now is 117.4 secs Computing kpt #: 341 total cpu time spent up to now is 117.7 secs Computing kpt #: 342 total cpu time spent up to now is 118.1 secs Computing kpt #: 343 total cpu time spent up to now is 118.5 secs Computing kpt #: 344 total cpu time spent up to now is 118.8 secs Computing kpt #: 345 total cpu time spent up to now is 119.2 secs Computing kpt #: 346 total cpu time spent up to now is 119.5 secs Computing kpt #: 347 total cpu time spent up to now is 119.9 secs Computing kpt #: 348 total cpu time spent up to now is 120.3 secs Computing kpt #: 349 total cpu time spent up to now is 120.7 secs Computing kpt #: 350 total cpu time spent up to now is 121.1 secs Computing kpt #: 351 total cpu time spent up to now is 121.5 secs Computing kpt #: 352 total cpu time spent up to now is 121.9 secs Computing kpt #: 353 total cpu time spent up to now is 122.3 secs Computing kpt #: 354 total cpu time spent up to now is 122.7 secs Computing kpt #: 355 total cpu time spent up to now is 123.1 secs Computing kpt #: 356 total cpu time spent up to now is 123.4 secs Computing kpt #: 357 total cpu time spent up to now is 123.8 secs Computing kpt #: 358 total cpu time spent up to now is 124.1 secs Computing kpt #: 359 total cpu time spent up to now is 124.5 secs Computing kpt #: 360 total cpu time spent up to now is 124.8 secs Computing kpt #: 361 total cpu time spent up to now is 125.1 secs Computing kpt #: 362 total cpu time spent up to now is 125.4 secs Computing kpt #: 363 total cpu time spent up to now is 125.7 secs Computing kpt #: 364 total cpu time spent up to now is 126.1 secs Computing kpt #: 365 total cpu time spent up to now is 126.3 secs Computing kpt #: 366 total cpu time spent up to now is 126.7 secs Computing kpt #: 367 total cpu time spent up to now is 127.0 secs Computing kpt #: 368 total cpu time spent up to now is 127.3 secs Computing kpt #: 369 total cpu time spent up to now is 127.6 secs Computing kpt #: 370 total cpu time spent up to now is 127.9 secs Computing kpt #: 371 total cpu time spent up to now is 128.2 secs Computing kpt #: 372 total cpu time spent up to now is 128.5 secs Computing kpt #: 373 total cpu time spent up to now is 128.8 secs Computing kpt #: 374 total cpu time spent up to now is 129.1 secs Computing kpt #: 375 total cpu time spent up to now is 129.4 secs Computing kpt #: 376 total cpu time spent up to now is 129.7 secs Computing kpt #: 377 total cpu time spent up to now is 130.1 secs Computing kpt #: 378 total cpu time spent up to now is 130.4 secs Computing kpt #: 379 total cpu time spent up to now is 130.7 secs Computing kpt #: 380 total cpu time spent up to now is 131.0 secs Computing kpt #: 381 total cpu time spent up to now is 131.3 secs Computing kpt #: 382 total cpu time spent up to now is 131.6 secs Computing kpt #: 383 total cpu time spent up to now is 131.9 secs Computing kpt #: 384 total cpu time spent up to now is 132.2 secs Computing kpt #: 385 total cpu time spent up to now is 132.5 secs Computing kpt #: 386 total cpu time spent up to now is 132.9 secs Computing kpt #: 387 total cpu time spent up to now is 133.2 secs Computing kpt #: 388 total cpu time spent up to now is 133.5 secs Computing kpt #: 389 total cpu time spent up to now is 133.8 secs Computing kpt #: 390 total cpu time spent up to now is 134.2 secs Computing kpt #: 391 total cpu time spent up to now is 134.5 secs Computing kpt #: 392 total cpu time spent up to now is 134.8 secs Computing kpt #: 393 total cpu time spent up to now is 135.1 secs Computing kpt #: 394 total cpu time spent up to now is 135.5 secs Computing kpt #: 395 total cpu time spent up to now is 135.8 secs Computing kpt #: 396 total cpu time spent up to now is 136.1 secs Computing kpt #: 397 total cpu time spent up to now is 136.4 secs Computing kpt #: 398 total cpu time spent up to now is 136.7 secs Computing kpt #: 399 total cpu time spent up to now is 137.1 secs Computing kpt #: 400 total cpu time spent up to now is 137.4 secs Computing kpt #: 401 total cpu time spent up to now is 137.7 secs Computing kpt #: 402 total cpu time spent up to now is 138.0 secs Computing kpt #: 403 total cpu time spent up to now is 138.3 secs Computing kpt #: 404 total cpu time spent up to now is 138.6 secs Computing kpt #: 405 total cpu time spent up to now is 138.9 secs Computing kpt #: 406 total cpu time spent up to now is 139.3 secs Computing kpt #: 407 total cpu time spent up to now is 139.6 secs Computing kpt #: 408 total cpu time spent up to now is 139.9 secs Computing kpt #: 409 total cpu time spent up to now is 140.2 secs Computing kpt #: 410 total cpu time spent up to now is 140.5 secs Computing kpt #: 411 total cpu time spent up to now is 140.8 secs Computing kpt #: 412 total cpu time spent up to now is 141.2 secs Computing kpt #: 413 total cpu time spent up to now is 141.5 secs Computing kpt #: 414 total cpu time spent up to now is 141.8 secs Computing kpt #: 415 total cpu time spent up to now is 142.2 secs Computing kpt #: 416 total cpu time spent up to now is 142.5 secs Computing kpt #: 417 total cpu time spent up to now is 142.9 secs Computing kpt #: 418 total cpu time spent up to now is 143.2 secs Computing kpt #: 419 total cpu time spent up to now is 143.5 secs Computing kpt #: 420 total cpu time spent up to now is 143.9 secs Computing kpt #: 421 total cpu time spent up to now is 144.2 secs Computing kpt #: 422 total cpu time spent up to now is 144.5 secs Computing kpt #: 423 total cpu time spent up to now is 144.9 secs Computing kpt #: 424 total cpu time spent up to now is 145.2 secs ethr = 3.13E-08, avg # of iterations = 17.5 total cpu time spent up to now is 145.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4161 PWs) bands (ev): -15.3600 -15.3600 -15.1924 -15.1924 -8.7738 -8.7738 -8.2100 -8.2100 -5.6489 -5.6489 -5.3126 -5.3126 -5.2521 -5.2521 -5.1672 -5.1672 -4.4443 -4.4443 -3.7984 -3.7984 -3.1903 -3.1903 -2.3493 -2.3493 -2.3163 -2.3163 -1.1446 -1.1446 -0.5000 -0.5000 -0.4329 -0.4329 4.9462 4.9462 5.5599 5.5599 6.2283 6.2283 6.8112 6.8112 k = 0.0119-0.0000-0.0000 ( 4161 PWs) bands (ev): -15.3597 -15.3597 -15.1922 -15.1922 -8.7729 -8.7729 -8.2110 -8.2110 -5.6485 -5.6485 -5.3162 -5.3162 -5.2517 -5.2517 -5.1672 -5.1672 -4.4440 -4.4440 -3.8000 -3.8000 -3.1865 -3.1865 -2.3496 -2.3496 -2.3175 -2.3175 -1.1443 -1.1443 -0.5008 -0.5008 -0.4332 -0.4332 4.9448 4.9448 5.5634 5.5634 6.2292 6.2292 6.8076 6.8076 k = 0.0238-0.0000-0.0000 ( 4163 PWs) bands (ev): -15.3588 -15.3588 -15.1914 -15.1914 -8.7703 -8.7703 -8.2140 -8.2140 -5.6473 -5.6473 -5.3268 -5.3268 -5.2504 -5.2504 -5.1674 -5.1674 -4.4431 -4.4431 -3.8046 -3.8046 -3.1753 -3.1753 -2.3503 -2.3503 -2.3209 -2.3209 -1.1436 -1.1436 -0.5032 -0.5032 -0.4343 -0.4343 4.9409 4.9409 5.5737 5.5737 6.2316 6.2316 6.7969 6.7969 k = 0.0357-0.0000-0.0000 ( 4171 PWs) bands (ev): -15.3572 -15.3572 -15.1902 -15.1902 -8.7659 -8.7659 -8.2190 -8.2190 -5.6453 -5.6453 -5.3441 -5.3441 -5.2483 -5.2483 -5.1677 -5.1677 -4.4417 -4.4417 -3.8122 -3.8122 -3.1567 -3.1567 -2.3515 -2.3515 -2.3266 -2.3266 -1.1424 -1.1424 -0.5072 -0.5072 -0.4362 -0.4362 4.9348 4.9348 5.5903 5.5903 6.2356 6.2356 6.7789 6.7789 k = 0.0476-0.0000-0.0000 ( 4169 PWs) bands (ev): -15.3549 -15.3549 -15.1885 -15.1885 -8.7598 -8.7598 -8.2260 -8.2260 -5.6425 -5.6425 -5.3678 -5.3678 -5.2454 -5.2454 -5.1682 -5.1682 -4.4396 -4.4396 -3.8229 -3.8229 -3.1314 -3.1314 -2.3531 -2.3531 -2.3345 -2.3345 -1.1407 -1.1407 -0.5128 -0.5128 -0.4389 -0.4389 4.9273 4.9273 5.6126 5.6126 6.2411 6.2411 6.7537 6.7537 k = 0.0595-0.0000-0.0000 ( 4165 PWs) bands (ev): -15.3521 -15.3521 -15.1864 -15.1864 -8.7520 -8.7520 -8.2348 -8.2348 -5.6388 -5.6388 -5.3973 -5.3973 -5.2417 -5.2417 -5.1689 -5.1689 -4.4370 -4.4370 -3.8365 -3.8365 -3.0997 -3.0997 -2.3549 -2.3549 -2.3448 -2.3448 -1.1385 -1.1385 -0.5199 -0.5199 -0.4423 -0.4423 4.9191 4.9191 5.6399 5.6399 6.2478 6.2478 6.7211 6.7211 k = 0.0714-0.0000-0.0000 ( 4165 PWs) bands (ev): -15.3486 -15.3486 -15.1837 -15.1837 -8.7424 -8.7424 -8.2456 -8.2456 -5.6343 -5.6343 -5.4321 -5.4321 -5.2371 -5.2371 -5.1700 -5.1700 -4.4339 -4.4339 -3.8529 -3.8529 -3.0623 -3.0623 -2.3578 -2.3578 -2.3564 -2.3564 -1.1358 -1.1358 -0.5285 -0.5285 -0.4466 -0.4466 4.9109 4.9109 5.6712 5.6712 6.2555 6.2555 6.6812 6.6812 k = 0.0833-0.0000-0.0000 ( 4171 PWs) bands (ev): -15.3445 -15.3445 -15.1807 -15.1807 -8.7312 -8.7312 -8.2583 -8.2583 -5.6288 -5.6288 -5.4715 -5.4715 -5.2318 -5.2318 -5.1714 -5.1714 -4.4301 -4.4301 -3.8720 -3.8720 -3.0198 -3.0198 -2.3721 -2.3721 -2.3590 -2.3590 -1.1328 -1.1328 -0.5387 -0.5387 -0.4517 -0.4517 4.9035 4.9035 5.7061 5.7061 6.2640 6.2640 6.6341 6.6341 k = 0.0952-0.0000-0.0000 ( 4175 PWs) bands (ev): -15.3399 -15.3399 -15.1772 -15.1772 -8.7183 -8.7183 -8.2727 -8.2727 -5.6224 -5.6224 -5.5148 -5.5148 -5.2257 -5.2257 -5.1734 -5.1734 -4.4259 -4.4259 -3.8937 -3.8937 -2.9728 -2.9728 -2.3891 -2.3891 -2.3611 -2.3611 -1.1293 -1.1293 -0.5503 -0.5503 -0.4577 -0.4577 4.8975 4.8975 5.7440 5.7440 6.2729 6.2729 6.5800 6.5800 k = 0.1071-0.0000-0.0000 ( 4179 PWs) bands (ev): -15.3347 -15.3347 -15.1732 -15.1732 -8.7037 -8.7037 -8.2888 -8.2888 -5.6150 -5.6150 -5.5616 -5.5616 -5.2189 -5.2189 -5.1759 -5.1759 -4.4211 -4.4211 -3.9177 -3.9177 -2.9219 -2.9219 -2.4082 -2.4082 -2.3630 -2.3630 -1.1255 -1.1255 -0.5633 -0.5633 -0.4646 -0.4646 4.8932 4.8932 5.7843 5.7843 6.2820 6.2820 6.5194 6.5194 k = 0.1190-0.0000-0.0000 ( 4179 PWs) bands (ev): -15.3290 -15.3290 -15.1689 -15.1689 -8.6875 -8.6875 -8.3066 -8.3066 -5.6111 -5.6111 -5.6065 -5.6065 -5.2114 -5.2114 -5.1792 -5.1792 -4.4158 -4.4158 -3.9438 -3.9438 -2.8677 -2.8677 -2.4295 -2.4295 -2.3647 -2.3647 -1.1212 -1.1212 -0.5777 -0.5777 -0.4725 -0.4725 4.8911 4.8911 5.8266 5.8266 6.2909 6.2909 6.4525 6.4525 k = 0.1310-0.0000-0.0000 ( 4179 PWs) bands (ev): -15.3227 -15.3227 -15.1643 -15.1643 -8.6697 -8.6697 -8.3259 -8.3259 -5.6628 -5.6628 -5.5971 -5.5971 -5.2033 -5.2033 -5.1834 -5.1834 -4.4100 -4.4100 -3.9718 -3.9718 -2.8107 -2.8107 -2.4530 -2.4530 -2.3660 -2.3660 -1.1167 -1.1167 -0.5933 -0.5933 -0.4813 -0.4813 4.8916 4.8916 5.8707 5.8707 6.2991 6.2991 6.3801 6.3801 k = 0.1429-0.0000-0.0000 ( 4175 PWs) bands (ev): -15.3160 -15.3160 -15.1592 -15.1592 -8.6502 -8.6502 -8.3467 -8.3467 -5.7163 -5.7163 -5.5865 -5.5865 -5.1949 -5.1949 -5.1883 -5.1883 -4.4037 -4.4037 -4.0013 -4.0013 -2.7514 -2.7514 -2.4785 -2.4785 -2.3669 -2.3669 -1.1118 -1.1118 -0.6101 -0.6101 -0.4911 -0.4911 4.8948 4.8948 5.9163 5.9163 6.3027 6.3027 6.3065 6.3065 k = 0.1548-0.0000-0.0000 ( 4167 PWs) bands (ev): -15.3089 -15.3089 -15.1538 -15.1538 -8.6293 -8.6293 -8.3687 -8.3687 -5.7710 -5.7710 -5.5748 -5.5748 -5.1958 -5.1958 -5.1846 -5.1846 -4.3970 -4.3970 -4.0321 -4.0321 -2.6903 -2.6903 -2.5060 -2.5060 -2.3672 -2.3672 -1.1066 -1.1066 -0.6281 -0.6281 -0.5019 -0.5019 4.9008 4.9008 5.9632 5.9632 6.2212 6.2212 6.3125 6.3125 k = 0.1667-0.0000-0.0000 ( 4161 PWs) bands (ev): -15.3013 -15.3013 -15.1482 -15.1482 -8.6068 -8.6068 -8.3920 -8.3920 -5.8266 -5.8266 -5.5619 -5.5619 -5.2038 -5.2038 -5.1749 -5.1749 -4.3899 -4.3899 -4.0636 -4.0636 -2.6277 -2.6277 -2.5355 -2.5355 -2.3669 -2.3669 -1.1012 -1.1012 -0.6472 -0.6472 -0.5136 -0.5136 4.9098 4.9098 6.0113 6.0113 6.1361 6.1361 6.3169 6.3169 k = 0.1786-0.0000-0.0000 ( 4165 PWs) bands (ev): -15.2934 -15.2934 -15.1422 -15.1422 -8.5828 -8.5828 -8.4164 -8.4164 -5.8827 -5.8827 -5.5480 -5.5480 -5.2138 -5.2138 -5.1645 -5.1645 -4.3824 -4.3824 -4.0956 -4.0956 -2.5669 -2.5669 -2.5640 -2.5640 -2.3660 -2.3660 -1.0954 -1.0954 -0.6672 -0.6672 -0.5263 -0.5263 4.9217 4.9217 6.0480 6.0480 6.0604 6.0604 6.3195 6.3195 k = 0.1905-0.0000-0.0000 ( 4153 PWs) bands (ev): -15.2852 -15.2852 -15.1361 -15.1361 -8.5575 -8.5575 -8.4417 -8.4417 -5.9390 -5.9390 -5.5328 -5.5328 -5.2258 -5.2258 -5.1536 -5.1536 -4.3746 -4.3746 -4.1275 -4.1275 -2.6000 -2.6000 -2.4995 -2.4995 -2.3645 -2.3645 -1.0895 -1.0895 -0.6881 -0.6881 -0.5399 -0.5399 4.9367 4.9367 5.9577 5.9577 6.1106 6.1106 6.3200 6.3200 k = 0.2024-0.0000-0.0000 ( 4149 PWs) bands (ev): -15.2766 -15.2766 -15.1297 -15.1297 -8.5308 -8.5308 -8.4678 -8.4678 -5.9952 -5.9952 -5.5166 -5.5166 -5.2400 -5.2400 -5.1424 -5.1424 -4.3664 -4.3664 -4.1590 -4.1590 -2.6348 -2.6348 -2.4346 -2.4346 -2.3622 -2.3622 -1.0833 -1.0833 -0.7098 -0.7098 -0.5544 -0.5544 4.9544 4.9544 5.8659 5.8659 6.1616 6.1616 6.3182 6.3182 k = 0.2143-0.0000-0.0000 ( 4154 PWs) bands (ev): -15.2678 -15.2678 -15.1231 -15.1231 -8.5028 -8.5028 -8.4946 -8.4946 -6.0510 -6.0510 -5.4992 -5.4992 -5.2568 -5.2568 -5.1308 -5.1308 -4.3579 -4.3579 -4.1896 -4.1896 -2.6711 -2.6711 -2.3696 -2.3696 -2.3592 -2.3592 -1.0770 -1.0770 -0.7323 -0.7323 -0.5697 -0.5697 4.9749 4.9749 5.7730 5.7730 6.2135 6.2135 6.3141 6.3141 k = 0.2262-0.0000-0.0000 ( 4164 PWs) bands (ev): -15.2588 -15.2588 -15.1165 -15.1165 -8.5219 -8.5219 -8.4736 -8.4736 -6.1060 -6.1060 -5.4807 -5.4807 -5.2763 -5.2763 -5.1190 -5.1190 -4.3492 -4.3492 -4.2190 -4.2190 -2.7089 -2.7089 -2.3557 -2.3557 -2.3046 -2.3046 -1.0706 -1.0706 -0.7552 -0.7552 -0.5859 -0.5859 4.9981 4.9981 5.6796 5.6796 6.2661 6.2661 6.3077 6.3077 k = 0.2381-0.0000-0.0000 ( 4164 PWs) bands (ev): -15.2497 -15.2497 -15.1097 -15.1097 -8.5496 -8.5496 -8.4432 -8.4432 -6.1602 -6.1602 -5.4611 -5.4611 -5.2986 -5.2986 -5.1069 -5.1069 -4.3403 -4.3403 -4.2467 -4.2467 -2.7480 -2.7480 -2.3514 -2.3514 -2.2400 -2.2400 -1.0640 -1.0640 -0.7787 -0.7787 -0.6027 -0.6027 5.0237 5.0237 5.5863 5.5863 6.2990 6.2990 6.3195 6.3195 k = 0.2500-0.0000-0.0000 ( 4166 PWs) bands (ev): -15.2404 -15.2404 -15.1028 -15.1028 -8.5775 -8.5775 -8.4118 -8.4118 -6.2133 -6.2133 -5.4405 -5.4405 -5.3239 -5.3239 -5.0947 -5.0947 -4.3312 -4.3312 -4.2725 -4.2725 -2.7882 -2.7882 -2.3465 -2.3465 -2.1760 -2.1760 -1.0573 -1.0573 -0.8024 -0.8024 -0.6202 -0.6202 5.0515 5.0515 5.4936 5.4936 6.2884 6.2884 6.3734 6.3734 k = 0.2619-0.0000-0.0000 ( 4168 PWs) bands (ev): -15.2311 -15.2311 -15.0959 -15.0959 -8.6054 -8.6054 -8.3794 -8.3794 -6.2651 -6.2651 -5.4189 -5.4189 -5.3521 -5.3521 -5.0825 -5.0825 -4.3221 -4.3221 -4.2960 -4.2960 -2.8293 -2.8293 -2.3411 -2.3411 -2.1129 -2.1129 -1.0506 -1.0506 -0.8264 -0.8264 -0.6382 -0.6382 5.0814 5.0814 5.4018 5.4018 6.2759 6.2759 6.3415 6.3415 k = 0.2738-0.0000-0.0000 ( 4168 PWs) bands (ev): -15.2218 -15.2218 -15.0890 -15.0890 -8.6332 -8.6332 -8.3462 -8.3462 -6.3154 -6.3154 -5.3966 -5.3966 -5.3830 -5.3830 -5.0702 -5.0702 -4.3180 -4.3180 -4.3121 -4.3121 -2.8712 -2.8712 -2.3351 -2.3351 -2.0507 -2.0507 -1.0438 -1.0438 -0.8505 -0.8505 -0.6566 -0.6566 5.1130 5.1130 5.3115 5.3115 6.2619 6.2619 6.2954 6.2954 k = 0.2857-0.0000-0.0000 ( 4170 PWs) bands (ev): -15.2125 -15.2125 -15.0822 -15.0822 -8.6607 -8.6607 -8.3123 -8.3123 -6.3640 -6.3640 -5.4169 -5.4169 -5.3731 -5.3731 -5.0580 -5.0580 -4.3363 -4.3363 -4.3033 -4.3033 -2.9136 -2.9136 -2.3286 -2.3286 -1.9898 -1.9898 -1.0370 -1.0370 -0.8744 -0.8744 -0.6754 -0.6754 5.1462 5.1462 5.2229 5.2229 6.2458 6.2458 6.2511 6.2511 k = 0.2976-0.0000-0.0000 ( 4174 PWs) bands (ev): -15.2034 -15.2034 -15.0755 -15.0755 -8.6878 -8.6878 -8.2778 -8.2778 -6.4109 -6.4109 -5.4531 -5.4531 -5.3492 -5.3492 -5.0460 -5.0460 -4.3527 -4.3527 -4.2940 -4.2940 -2.9564 -2.9564 -2.3217 -2.3217 -1.9304 -1.9304 -1.0303 -1.0303 -0.8982 -0.8982 -0.6943 -0.6943 5.1366 5.1366 5.1805 5.1805 6.2063 6.2063 6.2305 6.2305 k = 0.3095-0.0000-0.0000 ( 4178 PWs) bands (ev): -15.1944 -15.1944 -15.0689 -15.0689 -8.7143 -8.7143 -8.2429 -8.2429 -6.4558 -6.4558 -5.4914 -5.4914 -5.3247 -5.3247 -5.0341 -5.0341 -4.3669 -4.3669 -4.2848 -4.2848 -2.9993 -2.9993 -2.3145 -2.3145 -1.8728 -1.8728 -1.0236 -1.0236 -0.9217 -0.9217 -0.7134 -0.7134 5.0529 5.0529 5.2158 5.2158 6.1640 6.1640 6.2135 6.2135 k = 0.3214-0.0000-0.0000 ( 4182 PWs) bands (ev): -15.1856 -15.1856 -15.0625 -15.0625 -8.7401 -8.7401 -8.2077 -8.2077 -6.4987 -6.4987 -5.5314 -5.5314 -5.2998 -5.2998 -5.0226 -5.0226 -4.3788 -4.3788 -4.2757 -4.2757 -3.0421 -3.0421 -2.3070 -2.3070 -1.8170 -1.8170 -1.0171 -1.0171 -0.9446 -0.9446 -0.7323 -0.7323 4.9721 4.9721 5.2516 5.2516 6.1234 6.1234 6.1961 6.1961 k = 0.3333-0.0000-0.0000 ( 4194 PWs) bands (ev): -15.1771 -15.1771 -15.0562 -15.0562 -8.7650 -8.7650 -8.1725 -8.1725 -6.5394 -6.5394 -5.5726 -5.5726 -5.2747 -5.2747 -5.0114 -5.0114 -4.3888 -4.3888 -4.2669 -4.2669 -3.0845 -3.0845 -2.2993 -2.2993 -1.7634 -1.7634 -1.0108 -1.0108 -0.9670 -0.9670 -0.7511 -0.7511 4.8945 4.8945 5.2876 5.2876 6.0845 6.0845 6.1785 6.1785 k = 0.3452-0.0000-0.0000 ( 4192 PWs) bands (ev): -15.1689 -15.1689 -15.0502 -15.0502 -8.7888 -8.7888 -8.1375 -8.1375 -6.5777 -6.5777 -5.6145 -5.6145 -5.2494 -5.2494 -5.0006 -5.0006 -4.3969 -4.3969 -4.2582 -4.2582 -3.1262 -3.1262 -2.2916 -2.2916 -1.7122 -1.7122 -1.0047 -1.0047 -0.9886 -0.9886 -0.7695 -0.7695 4.8206 4.8206 5.3236 5.3236 6.0476 6.0476 6.1612 6.1612 k = 0.3571-0.0000-0.0000 ( 4192 PWs) bands (ev): -15.1611 -15.1611 -15.0445 -15.0445 -8.8115 -8.8115 -8.1030 -8.1030 -6.6136 -6.6136 -5.6567 -5.6567 -5.2243 -5.2243 -4.9903 -4.9903 -4.4035 -4.4035 -4.2499 -4.2499 -3.1669 -3.1669 -2.2838 -2.2838 -1.6636 -1.6636 -1.0093 -1.0093 -0.9988 -0.9988 -0.7874 -0.7874 4.7506 4.7506 5.3590 5.3590 6.0128 6.0128 6.1442 6.1442 k = 0.3690-0.0000-0.0000 ( 4200 PWs) bands (ev): -15.1536 -15.1536 -15.0391 -15.0391 -8.8329 -8.8329 -8.0692 -8.0692 -6.6470 -6.6470 -5.6986 -5.6986 -5.1996 -5.1996 -4.9806 -4.9806 -4.4087 -4.4087 -4.2420 -4.2420 -3.2063 -3.2063 -2.2762 -2.2762 -1.6178 -1.6178 -1.0289 -1.0289 -0.9932 -0.9932 -0.8047 -0.8047 4.6848 4.6848 5.3935 5.3935 5.9804 5.9804 6.1278 6.1278 k = 0.3810-0.0000-0.0000 ( 4196 PWs) bands (ev): -15.1467 -15.1467 -15.0341 -15.0341 -8.8528 -8.8528 -8.0363 -8.0363 -6.6778 -6.6778 -5.7396 -5.7396 -5.1755 -5.1755 -4.9715 -4.9715 -4.4127 -4.4127 -4.2344 -4.2344 -3.2441 -3.2441 -2.2687 -2.2687 -1.5750 -1.5750 -1.0473 -1.0473 -0.9879 -0.9879 -0.8211 -0.8211 4.6236 4.6236 5.4268 5.4268 5.9503 5.9503 6.1123 6.1123 k = 0.3929-0.0000-0.0000 ( 4200 PWs) bands (ev): -15.1402 -15.1402 -15.0294 -15.0294 -8.8712 -8.8712 -8.0049 -8.0049 -6.7059 -6.7059 -5.7791 -5.7791 -5.1523 -5.1523 -4.9630 -4.9630 -4.4157 -4.4157 -4.2274 -4.2274 -3.2799 -3.2799 -2.2616 -2.2616 -1.5355 -1.5355 -1.0644 -1.0644 -0.9830 -0.9830 -0.8366 -0.8366 4.5672 4.5672 5.4585 5.4585 5.9227 5.9227 6.0977 6.0977 k = 0.4048-0.0000-0.0000 ( 4200 PWs) bands (ev): -15.1343 -15.1343 -15.0251 -15.0251 -8.8880 -8.8880 -7.9752 -7.9752 -6.7312 -6.7312 -5.8166 -5.8166 -5.1303 -5.1303 -4.9553 -4.9553 -4.4180 -4.4180 -4.2210 -4.2210 -3.3134 -3.3134 -2.2549 -2.2549 -1.4995 -1.4995 -1.0801 -1.0801 -0.9786 -0.9786 -0.8510 -0.8510 4.5159 4.5159 5.4882 5.4882 5.8978 5.8978 6.0842 6.0842 k = 0.4167-0.0000-0.0000 ( 4192 PWs) bands (ev): -15.1291 -15.1291 -15.0213 -15.0213 -8.9030 -8.9030 -7.9477 -7.9477 -6.7537 -6.7537 -5.8515 -5.8515 -5.1099 -5.1099 -4.9484 -4.9484 -4.4195 -4.4195 -4.2151 -4.2151 -3.3441 -3.3441 -2.2486 -2.2486 -1.4671 -1.4671 -1.0943 -1.0943 -0.9745 -0.9745 -0.8640 -0.8640 4.4699 4.4699 5.5154 5.5154 5.8756 5.8756 6.0721 6.0721 k = 0.4286-0.0000-0.0000 ( 4186 PWs) bands (ev): -15.1244 -15.1244 -15.0179 -15.0179 -8.9162 -8.9162 -7.9226 -7.9226 -6.7734 -6.7734 -5.8831 -5.8831 -5.0912 -5.0912 -4.9423 -4.9423 -4.4207 -4.4207 -4.2099 -4.2099 -3.3718 -3.3718 -2.2430 -2.2430 -1.4387 -1.4387 -1.1068 -1.1068 -0.9709 -0.9709 -0.8757 -0.8757 4.4296 4.4296 5.5399 5.5399 5.8562 5.8562 6.0613 6.0613 k = 0.4405-0.0000-0.0000 ( 4190 PWs) bands (ev): -15.1204 -15.1204 -15.0150 -15.0150 -8.9275 -8.9275 -7.9005 -7.9005 -6.7901 -6.7901 -5.9111 -5.9111 -5.0747 -5.0747 -4.9370 -4.9370 -4.4214 -4.4214 -4.2054 -4.2054 -3.3960 -3.3960 -2.2381 -2.2381 -1.4143 -1.4143 -1.1175 -1.1175 -0.9679 -0.9679 -0.8858 -0.8858 4.3950 4.3950 5.5613 5.5613 5.8396 5.8396 6.0520 6.0520 k = 0.4524-0.0000-0.0000 ( 4196 PWs) bands (ev): -15.1171 -15.1171 -15.0126 -15.0126 -8.9369 -8.9369 -7.8818 -7.8818 -6.8038 -6.8038 -5.9348 -5.9348 -5.0607 -5.0607 -4.9327 -4.9327 -4.4219 -4.4219 -4.2017 -4.2017 -3.4164 -3.4164 -2.2339 -2.2339 -1.3941 -1.3941 -1.1264 -1.1264 -0.9653 -0.9653 -0.8942 -0.8942 4.3665 4.3665 5.5792 5.5792 5.8260 5.8260 6.0443 6.0443 k = 0.4643-0.0000-0.0000 ( 4200 PWs) bands (ev): -15.1145 -15.1145 -15.0108 -15.0108 -8.9442 -8.9442 -7.8668 -7.8668 -6.8145 -6.8145 -5.9538 -5.9538 -5.0495 -5.0495 -4.9293 -4.9293 -4.4221 -4.4221 -4.1988 -4.1988 -3.4326 -3.4326 -2.2306 -2.2306 -1.3782 -1.3782 -1.1334 -1.1334 -0.9633 -0.9633 -0.9009 -0.9009 4.3441 4.3441 5.5935 5.5935 5.8153 5.8153 6.0383 6.0383 k = 0.4762-0.0000-0.0000 ( 4200 PWs) bands (ev): -15.1126 -15.1126 -15.0094 -15.0094 -8.9495 -8.9495 -7.8558 -7.8558 -6.8222 -6.8222 -5.9676 -5.9676 -5.0413 -5.0413 -4.9269 -4.9269 -4.4223 -4.4223 -4.1966 -4.1966 -3.4444 -3.4444 -2.2282 -2.2282 -1.3668 -1.3668 -1.1385 -1.1385 -0.9619 -0.9619 -0.9058 -0.9058 4.3280 4.3280 5.6038 5.6038 5.8077 5.8077 6.0339 6.0339 k = 0.4881-0.0000-0.0000 ( 4192 PWs) bands (ev): -15.1115 -15.1115 -15.0086 -15.0086 -8.9526 -8.9526 -7.8491 -7.8491 -6.8268 -6.8268 -5.9761 -5.9761 -5.0362 -5.0362 -4.9254 -4.9254 -4.4224 -4.4224 -4.1953 -4.1953 -3.4515 -3.4515 -2.2267 -2.2267 -1.3598 -1.3598 -1.1415 -1.1415 -0.9610 -0.9610 -0.9087 -0.9087 4.3184 4.3184 5.6101 5.6101 5.8031 5.8031 6.0313 6.0313 k = 0.5000-0.0000-0.0000 ( 4196 PWs) bands (ev): -15.1111 -15.1111 -15.0083 -15.0083 -8.9537 -8.9537 -7.8469 -7.8469 -6.8283 -6.8283 -5.9789 -5.9789 -5.0345 -5.0345 -4.9250 -4.9250 -4.4224 -4.4224 -4.1949 -4.1949 -3.4539 -3.4539 -2.2262 -2.2262 -1.3576 -1.3576 -1.1425 -1.1425 -0.9607 -0.9607 -0.9096 -0.9096 4.3151 4.3151 5.6122 5.6122 5.8016 5.8016 6.0304 6.0304 k = 0.5000-0.0000-0.0000 ( 4196 PWs) bands (ev): -15.1111 -15.1111 -15.0083 -15.0083 -8.9537 -8.9537 -7.8469 -7.8469 -6.8283 -6.8283 -5.9789 -5.9789 -5.0345 -5.0345 -4.9250 -4.9250 -4.4224 -4.4224 -4.1949 -4.1949 -3.4539 -3.4539 -2.2262 -2.2262 -1.3576 -1.3576 -1.1425 -1.1425 -0.9607 -0.9607 -0.9096 -0.9096 4.3151 4.3151 5.6122 5.6122 5.8016 5.8016 6.0304 6.0304 k = 0.5000 0.0121-0.0000 ( 4190 PWs) bands (ev): -15.1109 -15.1109 -15.0082 -15.0082 -8.9527 -8.9527 -7.8461 -7.8461 -6.8275 -6.8275 -5.9786 -5.9786 -5.0371 -5.0366 -4.9254 -4.9254 -4.4249 -4.4239 -4.1957 -4.1956 -3.4515 -3.4510 -2.2276 -2.2276 -1.3599 -1.3598 -1.1421 -1.1419 -0.9644 -0.9643 -0.9106 -0.9106 4.3182 4.3183 5.6141 5.6142 5.8027 5.8029 6.0348 6.0348 k = 0.5000 0.0243-0.0000 ( 4190 PWs) bands (ev): -15.1103 -15.1103 -15.0077 -15.0077 -8.9496 -8.9496 -7.8437 -7.8437 -6.8249 -6.8248 -5.9779 -5.9779 -5.0445 -5.0435 -4.9268 -4.9268 -4.4313 -4.4294 -4.1980 -4.1977 -3.4439 -3.4428 -2.2318 -2.2317 -1.3669 -1.3667 -1.1407 -1.1402 -0.9749 -0.9749 -0.9139 -0.9138 4.3275 4.3276 5.6197 5.6198 5.8062 5.8065 6.0480 6.0480 k = 0.5000 0.0364-0.0000 ( 4186 PWs) bands (ev): -15.1093 -15.1093 -15.0069 -15.0069 -8.9444 -8.9444 -7.8398 -7.8398 -6.8206 -6.8205 -5.9767 -5.9767 -5.0564 -5.0549 -4.9292 -4.9291 -4.4415 -4.4387 -4.2017 -4.2013 -3.4312 -3.4297 -2.2386 -2.2385 -1.3780 -1.3778 -1.1385 -1.1379 -0.9916 -0.9915 -0.9200 -0.9199 4.3430 4.3430 5.6290 5.6291 5.8120 5.8125 6.0697 6.0697 k = 0.5000 0.0485-0.0000 ( 4186 PWs) bands (ev): -15.1080 -15.1080 -15.0058 -15.0058 -8.9372 -8.9372 -7.8343 -7.8343 -6.8146 -6.8145 -5.9751 -5.9750 -5.0726 -5.0708 -4.9326 -4.9325 -4.4551 -4.4515 -4.2069 -4.2064 -3.4141 -3.4122 -2.2482 -2.2480 -1.3930 -1.3927 -1.1359 -1.1351 -1.0137 -1.0136 -0.9295 -0.9294 4.3644 4.3645 5.6415 5.6416 5.8201 5.8207 6.0996 6.0997 k = 0.5000 0.0607-0.0000 ( 4190 PWs) bands (ev): -15.1062 -15.1062 -15.0043 -15.0043 -8.9280 -8.9280 -7.8273 -7.8273 -6.8069 -6.8067 -5.9731 -5.9731 -5.0929 -5.0907 -4.9369 -4.9368 -4.4719 -4.4676 -4.2135 -4.2129 -3.3931 -3.3908 -2.2602 -2.2600 -1.4114 -1.4111 -1.1331 -1.1323 -1.0406 -1.0404 -0.9424 -0.9423 4.3919 4.3920 5.6570 5.6571 5.8304 5.8312 6.1372 6.1373 k = 0.5000 0.0728-0.0000 ( 4194 PWs) bands (ev): -15.1041 -15.1041 -15.0026 -15.0026 -8.9167 -8.9167 -7.8187 -7.8187 -6.7975 -6.7973 -5.9710 -5.9710 -5.1169 -5.1144 -4.9422 -4.9420 -4.4914 -4.4866 -4.2215 -4.2208 -3.3687 -3.3661 -2.2747 -2.2744 -1.4328 -1.4326 -1.1305 -1.1296 -1.0719 -1.0717 -0.9588 -0.9586 4.4251 4.4253 5.6749 5.6750 5.8428 5.8438 6.1820 6.1822 k = 0.5000 0.0849-0.0000 ( 4194 PWs) bands (ev): -15.1016 -15.1016 -15.0006 -15.0006 -8.9034 -8.9034 -7.8087 -7.8086 -6.7864 -6.7862 -5.9689 -5.9688 -5.1442 -5.1415 -4.9484 -4.9483 -4.5133 -4.5082 -4.2308 -4.2300 -3.3416 -3.3388 -2.2913 -2.2910 -1.4568 -1.4567 -1.1281 -1.1271 -1.1073 -1.1071 -0.9783 -0.9781 4.4641 4.4643 5.6945 5.6946 5.8573 5.8585 6.2333 6.2335 k = 0.5000 0.0971-0.0000 ( 4186 PWs) bands (ev): -15.0988 -15.0988 -14.9983 -14.9983 -8.8881 -8.8881 -7.7971 -7.7970 -6.7737 -6.7734 -5.9669 -5.9668 -5.1743 -5.1715 -4.9557 -4.9556 -4.5374 -4.5319 -4.2414 -4.2404 -3.3126 -3.3097 -2.3100 -2.3096 -1.4832 -1.4832 -1.1466 -1.1463 -1.1260 -1.1251 -1.0005 -1.0003 4.5084 4.5087 5.7150 5.7151 5.8737 5.8750 6.2903 6.2904 k = 0.5000 0.1092-0.0000 ( 4182 PWs) bands (ev): -15.0957 -15.0957 -14.9957 -14.9957 -8.8708 -8.8708 -7.7840 -7.7840 -6.7593 -6.7590 -5.9653 -5.9651 -5.2068 -5.2040 -4.9639 -4.9638 -4.5632 -4.5576 -4.2531 -4.2521 -3.2823 -3.2793 -2.3303 -2.3299 -1.5117 -1.5117 -1.1895 -1.1892 -1.1244 -1.1234 -1.0251 -1.0248 4.5581 4.5584 5.7356 5.7357 5.8918 5.8933 6.3516 6.3518 k = 0.5000 0.1213-0.0000 ( 4178 PWs) bands (ev): -15.0922 -15.0922 -14.9929 -14.9929 -8.8515 -8.8515 -7.7695 -7.7694 -6.7433 -6.7430 -5.9644 -5.9642 -5.2413 -5.2385 -4.9732 -4.9731 -4.5905 -4.5849 -4.2660 -4.2649 -3.2514 -3.2484 -2.3520 -2.3515 -1.5422 -1.5420 -1.2358 -1.2354 -1.1231 -1.1222 -1.0516 -1.0513 4.6127 4.6131 5.7553 5.7554 5.9116 5.9132 6.4156 6.4157 k = 0.5000 0.1334-0.0000 ( 4178 PWs) bands (ev): -15.0885 -15.0885 -14.9898 -14.9898 -8.8302 -8.8302 -7.7535 -7.7535 -6.7257 -6.7254 -5.9645 -5.9642 -5.2773 -5.2745 -4.9834 -4.9834 -4.6191 -4.6136 -4.2800 -4.2787 -3.2205 -3.2175 -2.3745 -2.3741 -1.5743 -1.5740 -1.2853 -1.2849 -1.1222 -1.1213 -1.0795 -1.0791 4.6720 4.6725 5.7731 5.7732 5.9327 5.9345 6.4788 6.4789 k = 0.5000 0.1456-0.0000 ( 4176 PWs) bands (ev): -15.0845 -15.0845 -14.9865 -14.9865 -8.8070 -8.8070 -7.7362 -7.7362 -6.7066 -6.7062 -5.9659 -5.9656 -5.3142 -5.3116 -4.9947 -4.9946 -4.6487 -4.6432 -4.2949 -4.2936 -3.1905 -3.1876 -2.3975 -2.3971 -1.6078 -1.6075 -1.3379 -1.3374 -1.1215 -1.1207 -1.1082 -1.1078 4.7358 4.7363 5.7881 5.7881 5.9552 5.9571 6.5348 6.5348 k = 0.5000 0.1577-0.0000 ( 4176 PWs) bands (ev): -15.0802 -15.0802 -14.9830 -14.9830 -8.7820 -8.7819 -7.7175 -7.7175 -6.6860 -6.6855 -5.9692 -5.9688 -5.3517 -5.3492 -5.0069 -5.0069 -4.6788 -4.6735 -4.3109 -4.3095 -3.1621 -3.1593 -2.4202 -2.4198 -1.6426 -1.6421 -1.3931 -1.3926 -1.1374 -1.1370 -1.1210 -1.1203 4.8037 4.8043 5.7992 5.7992 5.9786 5.9807 6.5710 6.5712 k = 0.5000 0.1698-0.0000 ( 4176 PWs) bands (ev): -15.0757 -15.0757 -14.9794 -14.9794 -8.7549 -8.7549 -7.6975 -7.6975 -6.6639 -6.6634 -5.9747 -5.9742 -5.3893 -5.3871 -5.0200 -5.0200 -4.7092 -4.7041 -4.3277 -4.3263 -3.1361 -3.1334 -2.4419 -2.4415 -1.6785 -1.6779 -1.4509 -1.4503 -1.1667 -1.1662 -1.1206 -1.1199 4.8753 4.8760 5.8057 5.8057 6.0028 6.0051 6.5765 6.5771 k = 0.5000 0.1820-0.0000 ( 4170 PWs) bands (ev): -15.0710 -15.0710 -14.9755 -14.9755 -8.7261 -8.7261 -7.6762 -7.6762 -6.6403 -6.6397 -5.9829 -5.9823 -5.4267 -5.4247 -5.0342 -5.0341 -4.7393 -4.7345 -4.3454 -4.3439 -3.1134 -3.1109 -2.4616 -2.4613 -1.7152 -1.7145 -1.5108 -1.5103 -1.1957 -1.1952 -1.1202 -1.1196 4.9503 4.9511 5.8070 5.8070 6.0277 6.0302 6.5575 6.5585 k = 0.5000 0.1941-0.0000 ( 4178 PWs) bands (ev): -15.0661 -15.0661 -14.9715 -14.9715 -8.6955 -8.6955 -7.6538 -7.6537 -6.6154 -6.6148 -5.9942 -5.9934 -5.4636 -5.4620 -5.0492 -5.0491 -4.7687 -4.7642 -4.3639 -4.3624 -3.0951 -3.0928 -2.4785 -2.4783 -1.7526 -1.7518 -1.5728 -1.5722 -1.2241 -1.2236 -1.1197 -1.1192 5.0283 5.0292 5.8027 5.8028 6.0528 6.0555 6.5269 6.5282 k = 0.5000 0.2062-0.0000 ( 4182 PWs) bands (ev): -15.0611 -15.0611 -14.9674 -14.9674 -8.6631 -8.6630 -7.6301 -7.6301 -6.5891 -6.5885 -6.0090 -6.0081 -5.5001 -5.4989 -5.0650 -5.0648 -4.7969 -4.7927 -4.3831 -4.3816 -3.0820 -3.0799 -2.4915 -2.4914 -1.7905 -1.7896 -1.6364 -1.6358 -1.2517 -1.2512 -1.1191 -1.1186 5.1088 5.1099 5.7927 5.7928 6.0780 6.0808 6.4921 6.4935 k = 0.5000 0.2184-0.0000 ( 4182 PWs) bands (ev): -15.0559 -15.0559 -14.9632 -14.9632 -8.6289 -8.6289 -7.6054 -7.6053 -6.5616 -6.5609 -6.0275 -6.0264 -5.5361 -5.5353 -5.0815 -5.0813 -4.8232 -4.8193 -4.4031 -4.4016 -3.0750 -3.0732 -2.4998 -2.4997 -1.8286 -1.8277 -1.7014 -1.7008 -1.2783 -1.2777 -1.1183 -1.1179 5.1914 5.1926 5.7773 5.7774 6.1030 6.1060 6.4563 6.4578 k = 0.5000 0.2305-0.0000 ( 4166 PWs) bands (ev): -15.0507 -15.0507 -14.9590 -14.9590 -8.5930 -8.5930 -7.5795 -7.5795 -6.5328 -6.5321 -6.0498 -6.0485 -5.5719 -5.5715 -5.0987 -5.0984 -4.8470 -4.8435 -4.4238 -4.4223 -3.0744 -3.0729 -2.5029 -2.5026 -1.8668 -1.8658 -1.7674 -1.7668 -1.3036 -1.3031 -1.1172 -1.1168 5.2754 5.2768 5.7568 5.7570 6.1274 6.1306 6.4207 6.4223 k = 0.5000 0.2426-0.0000 ( 4170 PWs) bands (ev): -15.0454 -15.0454 -14.9546 -14.9546 -8.5556 -8.5556 -7.5528 -7.5527 -6.5030 -6.5022 -6.0757 -6.0743 -5.6081 -5.6080 -5.1165 -5.1161 -4.8679 -4.8647 -4.4451 -4.4436 -3.0804 -3.0792 -2.5006 -2.5002 -1.9048 -1.9037 -1.8342 -1.8335 -1.3277 -1.3272 -1.1159 -1.1155 5.3603 5.3619 5.7319 5.7321 6.1510 6.1544 6.3857 6.3873 k = 0.5000 0.2548-0.0000 ( 4174 PWs) bands (ev): -15.0400 -15.0400 -14.9503 -14.9503 -8.5166 -8.5166 -7.5252 -7.5251 -6.4721 -6.4713 -6.1051 -6.1035 -5.6453 -5.6448 -5.1347 -5.1343 -4.8853 -4.8825 -4.4671 -4.4656 -3.0923 -3.0914 -2.4933 -2.4927 -1.9425 -1.9414 -1.9014 -1.9007 -1.3505 -1.3500 -1.1142 -1.1139 5.4454 5.4472 5.7033 5.7036 6.1735 6.1770 6.3514 6.3530 k = 0.5000 0.2669-0.0000 ( 4182 PWs) bands (ev): -15.0347 -15.0347 -14.9460 -14.9460 -8.4761 -8.4761 -7.4967 -7.4967 -6.4403 -6.4394 -6.1376 -6.1358 -5.6837 -5.6828 -5.1533 -5.1528 -4.8990 -4.8965 -4.4897 -4.4883 -3.1095 -3.1088 -2.4817 -2.4810 -1.9797 -1.9785 -1.9687 -1.9681 -1.3718 -1.3713 -1.1123 -1.1120 5.5299 5.5319 5.6719 5.6721 6.1944 6.1981 6.3178 6.3192 k = 0.5000 0.2790-0.0000 ( 4186 PWs) bands (ev): -15.0294 -15.0294 -14.9417 -14.9417 -8.4343 -8.4342 -7.4676 -7.4675 -6.4076 -6.4067 -6.1727 -6.1708 -5.7236 -5.7224 -5.1722 -5.1715 -4.9087 -4.9066 -4.5129 -4.5115 -3.1306 -3.1301 -2.4666 -2.4658 -2.0359 -2.0353 -2.0160 -2.0148 -1.3918 -1.3913 -1.1100 -1.1098 5.6128 5.6150 5.6384 5.6387 6.2136 6.2174 6.2847 6.2861 k = 0.5000 0.2912-0.0000 ( 4190 PWs) bands (ev): -15.0242 -15.0242 -14.9374 -14.9374 -8.3911 -8.3911 -7.4378 -7.4378 -6.3742 -6.3733 -6.2099 -6.2079 -5.7653 -5.7638 -5.1912 -5.1905 -4.9145 -4.9127 -4.5365 -4.5352 -3.1547 -3.1544 -2.4492 -2.4483 -2.1025 -2.1018 -2.0514 -2.0502 -1.4103 -1.4098 -1.1074 -1.1073 5.6036 5.6038 5.6929 5.6954 6.2309 6.2348 6.2521 6.2534 k = 0.5000 0.3033-0.0000 ( 4190 PWs) bands (ev): -15.0190 -15.0190 -14.9332 -14.9332 -8.3468 -8.3468 -7.4077 -7.4076 -6.3402 -6.3392 -6.2488 -6.2467 -5.8088 -5.8070 -5.2102 -5.2094 -4.9166 -4.9151 -4.5607 -4.5594 -3.1807 -3.1806 -2.4305 -2.4295 -2.1679 -2.1673 -2.0857 -2.0845 -1.4273 -1.4269 -1.1046 -1.1045 5.5681 5.5683 5.7691 5.7718 6.2200 6.2213 6.2463 6.2502 k = 0.5000 0.3154-0.0000 ( 4192 PWs) bands (ev): -15.0140 -15.0140 -14.9292 -14.9292 -8.3014 -8.3014 -7.3772 -7.3771 -6.3058 -6.3047 -6.2890 -6.2868 -5.8539 -5.8520 -5.2291 -5.2282 -4.9153 -4.9140 -4.5852 -4.5840 -3.2077 -3.2077 -2.4117 -2.4107 -2.2315 -2.2309 -2.1186 -2.1175 -1.4430 -1.4426 -1.1016 -1.1015 5.5325 5.5327 5.8398 5.8426 6.1886 6.1898 6.2599 6.2637 k = 0.5000 0.3276-0.0000 ( 4194 PWs) bands (ev): -15.0091 -15.0091 -14.9252 -14.9252 -8.2552 -8.2552 -7.3466 -7.3465 -6.3301 -6.3279 -6.2710 -6.2699 -5.9005 -5.8984 -5.2478 -5.2468 -4.9110 -4.9099 -4.6100 -4.6089 -3.2351 -3.2350 -2.3957 -2.3946 -2.2905 -2.2900 -2.1501 -2.1490 -1.4573 -1.4569 -1.0984 -1.0983 5.4973 5.4975 5.9031 5.9061 6.1579 6.1590 6.2722 6.2759 k = 0.5000 0.3397-0.0000 ( 4202 PWs) bands (ev): -15.0045 -15.0045 -14.9214 -14.9214 -8.2082 -8.2082 -7.3160 -7.3160 -6.3715 -6.3693 -6.2362 -6.2351 -5.9482 -5.9460 -5.2662 -5.2651 -4.9041 -4.9032 -4.6350 -4.6340 -3.2619 -3.2617 -2.3967 -2.3956 -2.3310 -2.3306 -2.1800 -2.1789 -1.4704 -1.4700 -1.0951 -1.0950 5.4630 5.4632 5.9573 5.9603 6.1282 6.1292 6.2842 6.2876 k = 0.5000 0.3518-0.0000 ( 4194 PWs) bands (ev): -15.0000 -15.0000 -14.9178 -14.9178 -8.1608 -8.1608 -7.2858 -7.2858 -6.4130 -6.4107 -6.2015 -6.2003 -5.9964 -5.9942 -5.2841 -5.2829 -4.8953 -4.8945 -4.6600 -4.6591 -3.2877 -3.2874 -2.4370 -2.4361 -2.3307 -2.3302 -2.2081 -2.2071 -1.4822 -1.4818 -1.0917 -1.0916 5.4300 5.4303 6.0008 6.0036 6.0996 6.1005 6.2970 6.3000 k = 0.5000 0.3639-0.0000 ( 4182 PWs) bands (ev): -14.9958 -14.9958 -14.9144 -14.9144 -8.1131 -8.1131 -7.2562 -7.2561 -6.4540 -6.4517 -6.1671 -6.1659 -6.0449 -6.0426 -5.3015 -5.3003 -4.8849 -4.8843 -4.6847 -4.6839 -3.3119 -3.3116 -2.4906 -2.4898 -2.3156 -2.3150 -2.2343 -2.2333 -1.4927 -1.4924 -1.0883 -1.0882 5.3986 5.3989 6.0324 6.0349 6.0723 6.0733 6.3113 6.3137 k = 0.5000 0.3761-0.0000 ( 4186 PWs) bands (ev): -14.9918 -14.9918 -14.9112 -14.9112 -8.0655 -8.0655 -7.2276 -7.2276 -6.4940 -6.4917 -6.1334 -6.1321 -6.0930 -6.0907 -5.3183 -5.3170 -4.8736 -4.8731 -4.7090 -4.7084 -3.3342 -3.3338 -2.5447 -2.5440 -2.2986 -2.2980 -2.2585 -2.2576 -1.5022 -1.5019 -1.0849 -1.0849 5.3692 5.3694 6.0465 6.0469 6.0533 6.0549 6.3271 6.3289 k = 0.5000 0.3882-0.0000 ( 4186 PWs) bands (ev): -14.9882 -14.9882 -14.9083 -14.9083 -8.0184 -8.0184 -7.2005 -7.2004 -6.5325 -6.5302 -6.1403 -6.1380 -6.1006 -6.0994 -5.3344 -5.3330 -4.8618 -4.8614 -4.7327 -4.7321 -3.3542 -3.3539 -2.5968 -2.5961 -2.2827 -2.2822 -2.2798 -2.2789 -1.5105 -1.5103 -1.0817 -1.0817 5.3418 5.3420 6.0226 6.0233 6.0634 6.0649 6.3435 6.3447 k = 0.5000 0.4003-0.0000 ( 4192 PWs) bands (ev): -14.9848 -14.9848 -14.9056 -14.9056 -7.9724 -7.9723 -7.1755 -7.1754 -6.5685 -6.5663 -6.1862 -6.1840 -6.0692 -6.0679 -5.3496 -5.3482 -4.8500 -4.8497 -4.7553 -4.7549 -3.3719 -3.3715 -2.6458 -2.6452 -2.3008 -2.3001 -2.2659 -2.2655 -1.5179 -1.5176 -1.0786 -1.0786 5.3169 5.3170 6.0006 6.0012 6.0666 6.0677 6.3592 6.3599 k = 0.5000 0.4125-0.0000 ( 4188 PWs) bands (ev): -14.9818 -14.9818 -14.9032 -14.9032 -7.9278 -7.9278 -7.1532 -7.1531 -6.6013 -6.5991 -6.2302 -6.2280 -6.0394 -6.0382 -5.3637 -5.3623 -4.8385 -4.8383 -4.7766 -4.7762 -3.3869 -3.3865 -2.6912 -2.6906 -2.3186 -2.3179 -2.2516 -2.2512 -1.5242 -1.5240 -1.0758 -1.0758 5.2944 5.2946 5.9807 5.9813 6.0649 6.0657 6.3734 6.3737 k = 0.5000 0.4246-0.0000 ( 4194 PWs) bands (ev): -14.9792 -14.9792 -14.9010 -14.9010 -7.8856 -7.8856 -7.1344 -7.1342 -6.6298 -6.6277 -6.2716 -6.2695 -6.0119 -6.0107 -5.3767 -5.3754 -4.8278 -4.8276 -4.7962 -4.7959 -3.3994 -3.3991 -2.7322 -2.7317 -2.3341 -2.3335 -2.2389 -2.2386 -1.5296 -1.5294 -1.0732 -1.0732 5.2746 5.2748 5.9632 5.9636 6.0603 6.0609 6.3854 6.3855 k = 0.5000 0.4367-0.0000 ( 4194 PWs) bands (ev): -14.9769 -14.9769 -14.8992 -14.8992 -7.8466 -7.8466 -7.1197 -7.1195 -6.6531 -6.6511 -6.3096 -6.3077 -5.9871 -5.9861 -5.3884 -5.3872 -4.8183 -4.8182 -4.8135 -4.8134 -3.4094 -3.4091 -2.7683 -2.7679 -2.3472 -2.3467 -2.2279 -2.2276 -1.5341 -1.5340 -1.0709 -1.0709 5.2577 5.2579 5.9481 5.9484 6.0545 6.0549 6.3951 6.3951 k = 0.5000 0.4489-0.0000 ( 4188 PWs) bands (ev): -14.9751 -14.9750 -14.8977 -14.8977 -7.8120 -7.8120 -7.1095 -7.1092 -6.6704 -6.6686 -6.3434 -6.3418 -5.9656 -5.9647 -5.3985 -5.3974 -4.8286 -4.8284 -4.8100 -4.8099 -3.4170 -3.4167 -2.7990 -2.7986 -2.3580 -2.3576 -2.2188 -2.2185 -1.5377 -1.5376 -1.0690 -1.0690 5.2437 5.2438 5.9355 5.9358 6.0484 6.0487 6.4025 6.4026 k = 0.5000 0.4610-0.0000 ( 4184 PWs) bands (ev): -14.9736 -14.9736 -14.8965 -14.8965 -7.7829 -7.7829 -7.1033 -7.1031 -6.6819 -6.6804 -6.3719 -6.3705 -5.9480 -5.9472 -5.4067 -5.4058 -4.8406 -4.8405 -4.8033 -4.8032 -3.4226 -3.4223 -2.8236 -2.8233 -2.3664 -2.3661 -2.2115 -2.2114 -1.5405 -1.5405 -1.0674 -1.0674 5.2328 5.2328 5.9257 5.9259 6.0430 6.0432 6.4080 6.4081 k = 0.5000 0.4731-0.0000 ( 4184 PWs) bands (ev): -14.9725 -14.9725 -14.8957 -14.8957 -7.7608 -7.7608 -7.1005 -7.1003 -6.6883 -6.6872 -6.3937 -6.3927 -5.9349 -5.9344 -5.4128 -5.4121 -4.8495 -4.8494 -4.7985 -4.7984 -3.4263 -3.4261 -2.8416 -2.8414 -2.3725 -2.3722 -2.2063 -2.2062 -1.5425 -1.5425 -1.0663 -1.0663 5.2249 5.2249 5.9186 5.9188 6.0388 6.0389 6.4118 6.4118 k = 0.5000 0.4853-0.0000 ( 4188 PWs) bands (ev): -14.9719 -14.9719 -14.8951 -14.8951 -7.7470 -7.7469 -7.0995 -7.0994 -6.6911 -6.6905 -6.4074 -6.4069 -5.9267 -5.9265 -5.4165 -5.4162 -4.8550 -4.8549 -4.7955 -4.7955 -3.4283 -3.4283 -2.8526 -2.8524 -2.3760 -2.3759 -2.2032 -2.2031 -1.5437 -1.5437 -1.0656 -1.0656 5.2201 5.2202 5.9144 5.9145 6.0361 6.0361 6.4139 6.4140 k = 0.5000 0.4974-0.0000 ( 4184 PWs) bands (ev): -14.9717 -14.9717 -14.8950 -14.8950 -7.7422 -7.7422 -7.0994 -7.0994 -6.6916 -6.6916 -6.4120 -6.4120 -5.9239 -5.9239 -5.4176 -5.4176 -4.8568 -4.8568 -4.7944 -4.7944 -3.4290 -3.4290 -2.8562 -2.8562 -2.3772 -2.3772 -2.2021 -2.2021 -1.5441 -1.5441 -1.0654 -1.0654 5.2186 5.2186 5.9130 5.9130 6.0352 6.0352 6.4147 6.4147 k = 0.5000 0.4974-0.0000 ( 4184 PWs) bands (ev): -14.9717 -14.9717 -14.8950 -14.8950 -7.7422 -7.7422 -7.0994 -7.0994 -6.6916 -6.6916 -6.4120 -6.4120 -5.9239 -5.9239 -5.4176 -5.4176 -4.8568 -4.8568 -4.7944 -4.7944 -3.4290 -3.4290 -2.8562 -2.8562 -2.3772 -2.3772 -2.2021 -2.2021 -1.5441 -1.5441 -1.0654 -1.0654 5.2186 5.2186 5.9130 5.9130 6.0352 6.0352 6.4147 6.4147 k = 0.4881 0.4974-0.0000 ( 4188 PWs) bands (ev): -14.9719 -14.9719 -14.8952 -14.8952 -7.7452 -7.7452 -7.1018 -7.1018 -6.6885 -6.6885 -6.4089 -6.4089 -5.9228 -5.9228 -5.4207 -5.4207 -4.8547 -4.8547 -4.7952 -4.7952 -3.4272 -3.4272 -2.8541 -2.8541 -2.3755 -2.3755 -2.2021 -2.2021 -1.5458 -1.5458 -1.0657 -1.0657 5.2209 5.2209 5.9141 5.9141 6.0363 6.0363 6.4118 6.4118 k = 0.4762 0.4974-0.0000 ( 4184 PWs) bands (ev): -14.9727 -14.9727 -14.8958 -14.8958 -7.7540 -7.7540 -7.1090 -7.1090 -6.6791 -6.6791 -6.4000 -6.4000 -5.9196 -5.9196 -5.4297 -5.4297 -4.8487 -4.8487 -4.7972 -4.7972 -3.4220 -3.4220 -2.8478 -2.8478 -2.3705 -2.3705 -2.2019 -2.2019 -1.5507 -1.5507 -1.0666 -1.0666 5.2279 5.2279 5.9174 5.9174 6.0399 6.0399 6.4030 6.4030 k = 0.4643 0.4974-0.0000 ( 4192 PWs) bands (ev): -14.9739 -14.9739 -14.8968 -14.8968 -7.7683 -7.7683 -7.1205 -7.1205 -6.6641 -6.6641 -6.3854 -6.3854 -5.9144 -5.9144 -5.4443 -5.4443 -4.8392 -4.8392 -4.8005 -4.8005 -3.4134 -3.4134 -2.8374 -2.8374 -2.3621 -2.3621 -2.2016 -2.2016 -1.5591 -1.5591 -1.0682 -1.0682 5.2394 5.2394 5.9229 5.9229 6.0456 6.0456 6.3879 6.3879 k = 0.4524 0.4974-0.0000 ( 4192 PWs) bands (ev): -14.9757 -14.9757 -14.8982 -14.8982 -7.7877 -7.7877 -7.1355 -7.1355 -6.6442 -6.6442 -6.3659 -6.3659 -5.9070 -5.9070 -5.4637 -5.4637 -4.8268 -4.8268 -4.8047 -4.8047 -3.4014 -3.4014 -2.8232 -2.8232 -2.3504 -2.3504 -2.2011 -2.2011 -1.5706 -1.5706 -1.0703 -1.0703 5.2554 5.2554 5.9306 5.9306 6.0536 6.0536 6.3660 6.3660 k = 0.4405 0.4974-0.0000 ( 4186 PWs) bands (ev): -14.9779 -14.9779 -14.9000 -14.9000 -7.8116 -7.8116 -7.1532 -7.1532 -6.6199 -6.6199 -6.3421 -6.3421 -5.8976 -5.8976 -5.4872 -5.4872 -4.8123 -4.8123 -4.8096 -4.8096 -3.3862 -3.3862 -2.8052 -2.8052 -2.3355 -2.3355 -2.2003 -2.2003 -1.5853 -1.5853 -1.0729 -1.0729 5.2759 5.2759 5.9403 5.9403 6.0637 6.0637 6.3365 6.3365 k = 0.4286 0.4974-0.0000 ( 4190 PWs) bands (ev): -14.9805 -14.9805 -14.9022 -14.9022 -7.8393 -7.8393 -7.1732 -7.1732 -6.5920 -6.5920 -6.3147 -6.3147 -5.8862 -5.8862 -5.5141 -5.5141 -4.8150 -4.8150 -4.7962 -4.7962 -3.3679 -3.3679 -2.7840 -2.7840 -2.3174 -2.3174 -2.1992 -2.1992 -1.6031 -1.6031 -1.0761 -1.0761 5.3005 5.3005 5.9522 5.9522 6.0755 6.0755 6.2989 6.2989 k = 0.4167 0.4974-0.0000 ( 4190 PWs) bands (ev): -14.9836 -14.9836 -14.9047 -14.9047 -7.8703 -7.8703 -7.1947 -7.1947 -6.5609 -6.5609 -6.2847 -6.2847 -5.8729 -5.8729 -5.5436 -5.5436 -4.8202 -4.8202 -4.7793 -4.7793 -3.3465 -3.3465 -2.7598 -2.7598 -2.2963 -2.2963 -2.1977 -2.1977 -1.6239 -1.6239 -1.0798 -1.0798 5.3291 5.3291 5.9660 5.9660 6.0891 6.0891 6.2528 6.2528 k = 0.4048 0.4974-0.0000 ( 4182 PWs) bands (ev): -14.9872 -14.9872 -14.9076 -14.9076 -7.9040 -7.9040 -7.2175 -7.2175 -6.5270 -6.5270 -6.2530 -6.2530 -5.8576 -5.8576 -5.5752 -5.5752 -4.8249 -4.8249 -4.7620 -4.7620 -3.3224 -3.3224 -2.7330 -2.7330 -2.2721 -2.2721 -2.1956 -2.1956 -1.6475 -1.6475 -1.0839 -1.0839 5.3615 5.3615 5.9817 5.9817 6.1040 6.1040 6.1980 6.1980 k = 0.3929 0.4974-0.0000 ( 4186 PWs) bands (ev): -14.9911 -14.9911 -14.9109 -14.9109 -7.9397 -7.9397 -7.2412 -7.2412 -6.4905 -6.4905 -6.2203 -6.2203 -5.8405 -5.8405 -5.6084 -5.6084 -4.8286 -4.8286 -4.7449 -4.7449 -3.2957 -3.2957 -2.7042 -2.7042 -2.2452 -2.2452 -2.1928 -2.1928 -1.6738 -1.6738 -1.0884 -1.0884 5.3974 5.3974 5.9992 5.9992 6.1196 6.1196 6.1350 6.1350 k = 0.3810 0.4974-0.0000 ( 4190 PWs) bands (ev): -14.9954 -14.9954 -14.9144 -14.9144 -7.9770 -7.9770 -7.2655 -7.2655 -6.4516 -6.4516 -6.1875 -6.1875 -5.8218 -5.8218 -5.6427 -5.6427 -4.8307 -4.8307 -4.7281 -4.7281 -3.2666 -3.2666 -2.6738 -2.6738 -2.2155 -2.2155 -2.1890 -2.1890 -1.7026 -1.7026 -1.0933 -1.0933 5.4364 5.4364 6.0184 6.0184 6.0632 6.0632 6.1367 6.1367 k = 0.3690 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.0001 -15.0001 -14.9182 -14.9182 -8.0154 -8.0154 -7.2903 -7.2903 -6.4106 -6.4106 -6.1555 -6.1555 -5.8013 -5.8013 -5.6778 -5.6778 -4.8308 -4.8308 -4.7119 -4.7119 -3.2354 -3.2354 -2.6424 -2.6424 -2.1846 -2.1846 -2.1825 -2.1825 -1.7336 -1.7336 -1.0985 -1.0985 5.4784 5.4784 5.9847 5.9847 6.0392 6.0392 6.1536 6.1536 k = 0.3571 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.0051 -15.0051 -14.9223 -14.9223 -8.0546 -8.0546 -7.3153 -7.3153 -6.3675 -6.3675 -6.1248 -6.1248 -5.7794 -5.7794 -5.7134 -5.7134 -4.8283 -4.8283 -4.6965 -4.6965 -3.2024 -3.2024 -2.6106 -2.6106 -2.1774 -2.1774 -2.1485 -2.1485 -1.7668 -1.7668 -1.1039 -1.1039 5.5227 5.5227 5.9002 5.9002 6.0613 6.0613 6.1705 6.1705 k = 0.3452 0.4974-0.0000 ( 4186 PWs) bands (ev): -15.0103 -15.0103 -14.9266 -14.9266 -8.0942 -8.0942 -7.3405 -7.3405 -6.3224 -6.3224 -6.0962 -6.0962 -5.7567 -5.7567 -5.7485 -5.7485 -4.8227 -4.8227 -4.6820 -4.6820 -3.1679 -3.1679 -2.5791 -2.5791 -2.1688 -2.1688 -2.1117 -2.1117 -1.8017 -1.8017 -1.1095 -1.1095 5.5691 5.5691 5.8104 5.8104 6.0848 6.0848 6.1866 6.1866 k = 0.3333 0.4974-0.0000 ( 4182 PWs) bands (ev): -15.0159 -15.0159 -14.9312 -14.9312 -8.1339 -8.1339 -7.3657 -7.3657 -6.2755 -6.2755 -6.0702 -6.0702 -5.7855 -5.7855 -5.7309 -5.7309 -4.8138 -4.8138 -4.6686 -4.6686 -3.1324 -3.1324 -2.5486 -2.5486 -2.1577 -2.1577 -2.0729 -2.0729 -1.8382 -1.8382 -1.1152 -1.1152 5.6170 5.6170 5.7164 5.7164 6.1093 6.1093 6.2016 6.2016 k = 0.3214 0.4974-0.0000 ( 4198 PWs) bands (ev): -15.0216 -15.0216 -14.9359 -14.9359 -8.1735 -8.1735 -7.3909 -7.3909 -6.2267 -6.2267 -6.0473 -6.0473 -5.8212 -5.8212 -5.7050 -5.7050 -4.8012 -4.8012 -4.6562 -4.6562 -3.0963 -3.0963 -2.5199 -2.5199 -2.1439 -2.1439 -2.0323 -2.0323 -1.8758 -1.8758 -1.1209 -1.1209 5.6191 5.6191 5.6657 5.6657 6.1347 6.1347 6.2150 6.2150 k = 0.3095 0.4974-0.0000 ( 4194 PWs) bands (ev): -15.0276 -15.0276 -14.9408 -14.9408 -8.2127 -8.2127 -7.4158 -7.4158 -6.1762 -6.1762 -6.0277 -6.0277 -5.8566 -5.8566 -5.6779 -5.6779 -4.7846 -4.7846 -4.6449 -4.6449 -3.0599 -3.0599 -2.4936 -2.4936 -2.1267 -2.1267 -1.9901 -1.9901 -1.9142 -1.9142 -1.1267 -1.1267 5.5196 5.5196 5.7149 5.7149 6.1607 6.1607 6.2263 6.2263 k = 0.2976 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.0337 -15.0337 -14.9459 -14.9459 -8.2514 -8.2514 -7.4405 -7.4405 -6.1241 -6.1241 -6.0117 -6.0117 -5.8915 -5.8915 -5.6499 -5.6499 -4.7642 -4.7642 -4.6347 -4.6347 -3.0240 -3.0240 -2.4701 -2.4701 -2.1060 -2.1060 -1.9529 -1.9529 -1.9465 -1.9465 -1.1323 -1.1323 5.4184 5.4184 5.7637 5.7637 6.1873 6.1873 6.2353 6.2353 k = 0.2857 0.4974-0.0000 ( 4182 PWs) bands (ev): -15.0399 -15.0399 -14.9510 -14.9510 -8.2893 -8.2893 -7.4648 -7.4648 -6.0704 -6.0704 -5.9993 -5.9993 -5.9258 -5.9258 -5.6211 -5.6211 -4.7399 -4.7399 -4.6255 -4.6255 -2.9893 -2.9893 -2.4497 -2.4497 -2.0817 -2.0817 -1.9909 -1.9909 -1.9020 -1.9020 -1.1379 -1.1379 5.3164 5.3164 5.8115 5.8115 6.2140 6.2140 6.2415 6.2415 k = 0.2738 0.4974-0.0000 ( 4174 PWs) bands (ev): -15.0462 -15.0462 -14.9562 -14.9562 -8.3264 -8.3264 -7.4887 -7.4887 -6.0153 -6.0153 -5.9904 -5.9904 -5.9593 -5.9593 -5.5915 -5.5915 -4.7121 -4.7121 -4.6173 -4.6173 -2.9566 -2.9566 -2.4326 -2.4326 -2.0541 -2.0541 -2.0279 -2.0279 -1.8565 -1.8565 -1.1432 -1.1432 5.2142 5.2142 5.8576 5.8576 6.2406 6.2406 6.2451 6.2451 k = 0.2619 0.4974-0.0000 ( 4176 PWs) bands (ev): -15.0526 -15.0526 -14.9614 -14.9614 -8.3626 -8.3626 -7.5120 -7.5120 -5.9924 -5.9924 -5.9845 -5.9845 -5.9588 -5.9588 -5.5615 -5.5615 -4.6811 -4.6811 -4.6101 -4.6101 -2.9269 -2.9269 -2.4184 -2.4184 -2.0629 -2.0629 -2.0235 -2.0235 -1.8105 -1.8105 -1.1484 -1.1484 5.1123 5.1123 5.9012 5.9012 6.2453 6.2453 6.2672 6.2672 k = 0.2500 0.4974-0.0000 ( 4180 PWs) bands (ev): -15.0590 -15.0590 -14.9667 -14.9667 -8.3977 -8.3977 -7.5349 -7.5349 -6.0240 -6.0240 -5.9820 -5.9820 -5.9011 -5.9011 -5.5312 -5.5312 -4.6473 -4.6473 -4.6038 -4.6038 -2.9013 -2.9013 -2.4068 -2.4068 -2.0948 -2.0948 -1.9906 -1.9906 -1.7641 -1.7641 -1.1532 -1.1532 5.0113 5.0113 5.9415 5.9415 6.2430 6.2430 6.2930 6.2930 k = 0.2381 0.4974-0.0000 ( 4180 PWs) bands (ev): -15.0653 -15.0653 -14.9719 -14.9719 -8.4316 -8.4316 -7.5570 -7.5570 -6.0547 -6.0547 -5.9819 -5.9819 -5.8423 -5.8423 -5.5007 -5.5007 -4.6113 -4.6113 -4.5982 -4.5982 -2.8813 -2.8813 -2.3973 -2.3973 -2.1223 -2.1223 -1.9560 -1.9560 -1.7176 -1.7176 -1.1578 -1.1578 4.9116 4.9116 5.9778 5.9778 6.2379 6.2379 6.3179 6.3179 k = 0.2262 0.4974-0.0000 ( 4184 PWs) bands (ev): -15.0716 -15.0716 -14.9771 -14.9771 -8.4642 -8.4642 -7.5784 -7.5784 -6.0844 -6.0844 -5.9841 -5.9841 -5.7825 -5.7825 -5.4701 -5.4701 -4.5939 -4.5939 -4.5731 -4.5731 -2.8682 -2.8682 -2.3896 -2.3896 -2.1440 -2.1440 -1.9203 -1.9203 -1.6714 -1.6714 -1.1620 -1.1620 4.8136 4.8136 6.0096 6.0096 6.2305 6.2305 6.3416 6.3416 k = 0.2143 0.4974-0.0000 ( 4186 PWs) bands (ev): -15.0778 -15.0778 -14.9823 -14.9823 -8.4955 -8.4955 -7.5992 -7.5992 -6.1129 -6.1129 -5.9882 -5.9882 -5.7219 -5.7219 -5.4398 -5.4398 -4.5898 -4.5898 -4.5340 -4.5340 -2.8633 -2.8633 -2.3832 -2.3832 -2.1590 -2.1590 -1.8840 -1.8840 -1.6255 -1.6255 -1.1658 -1.1658 4.7179 4.7179 6.0363 6.0363 6.2209 6.2209 6.3639 6.3639 k = 0.2024 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.0839 -15.0839 -14.9873 -14.9873 -8.5255 -8.5255 -7.6191 -7.6191 -6.1401 -6.1401 -5.9937 -5.9937 -5.6607 -5.6607 -5.4098 -5.4098 -4.5865 -4.5865 -4.4942 -4.4942 -2.8673 -2.8673 -2.3778 -2.3778 -2.1663 -2.1663 -1.8477 -1.8477 -1.5803 -1.5803 -1.1692 -1.1692 4.6248 4.6248 6.0576 6.0576 6.2096 6.2096 6.3846 6.3846 k = 0.1905 0.4974-0.0000 ( 4182 PWs) bands (ev): -15.0898 -15.0898 -14.9922 -14.9922 -8.5539 -8.5539 -7.6381 -7.6381 -6.1661 -6.1661 -6.0004 -6.0004 -5.5991 -5.5991 -5.3803 -5.3803 -4.5838 -4.5838 -4.4541 -4.4541 -2.8803 -2.8803 -2.3731 -2.3731 -2.1661 -2.1661 -1.8117 -1.8117 -1.5361 -1.5361 -1.1722 -1.1722 4.5346 4.5346 6.0735 6.0735 6.1969 6.1969 6.4034 6.4034 k = 0.1786 0.4974-0.0000 ( 4178 PWs) bands (ev): -15.0955 -15.0955 -14.9970 -14.9970 -8.5808 -8.5808 -7.6562 -7.6562 -6.1907 -6.1907 -6.0080 -6.0080 -5.5372 -5.5372 -5.3514 -5.3514 -4.5815 -4.5815 -4.4142 -4.4142 -2.9017 -2.9017 -2.3691 -2.3691 -2.1589 -2.1589 -1.7765 -1.7765 -1.4930 -1.4930 -1.1748 -1.1748 4.4478 4.4478 6.0841 6.0841 6.1831 6.1831 6.4201 6.4201 k = 0.1667 0.4974-0.0000 ( 4174 PWs) bands (ev): -15.1010 -15.1010 -15.0015 -15.0015 -8.6062 -8.6062 -7.6733 -7.6733 -6.2140 -6.2140 -6.0162 -6.0162 -5.4754 -5.4754 -5.3235 -5.3235 -4.5798 -4.5798 -4.3750 -4.3750 -2.9304 -2.9304 -2.3655 -2.3655 -2.1459 -2.1459 -1.7424 -1.7424 -1.4514 -1.4514 -1.1769 -1.1769 4.3647 4.3647 6.0897 6.0897 6.1687 6.1687 6.4347 6.4347 k = 0.1548 0.4974-0.0000 ( 4170 PWs) bands (ev): -15.1063 -15.1063 -15.0059 -15.0059 -8.6300 -8.6300 -7.6894 -7.6894 -6.2358 -6.2358 -6.0248 -6.0248 -5.4139 -5.4139 -5.2966 -5.2966 -4.5784 -4.5784 -4.3369 -4.3369 -2.9649 -2.9649 -2.3621 -2.3621 -2.1284 -2.1284 -1.7096 -1.7096 -1.4115 -1.4115 -1.1787 -1.1787 4.2857 4.2857 6.0908 6.0908 6.1540 6.1540 6.4470 6.4470 k = 0.1429 0.4974-0.0000 ( 4170 PWs) bands (ev): -15.1113 -15.1113 -15.0100 -15.0100 -8.6522 -8.6522 -7.7045 -7.7045 -6.2561 -6.2561 -6.0334 -6.0334 -5.3531 -5.3531 -5.2709 -5.2709 -4.5773 -4.5773 -4.3003 -4.3003 -3.0039 -3.0039 -2.3590 -2.3590 -2.1079 -2.1079 -1.6784 -1.6784 -1.3735 -1.3735 -1.1801 -1.1801 4.2109 4.2109 6.0880 6.0880 6.1391 6.1391 6.4572 6.4572 k = 0.1310 0.4974-0.0000 ( 4182 PWs) bands (ev): -15.1160 -15.1160 -15.0139 -15.0139 -8.6727 -8.6727 -7.7186 -7.7186 -6.2750 -6.2750 -6.0419 -6.0419 -5.2934 -5.2934 -5.2466 -5.2466 -4.5767 -4.5767 -4.2654 -4.2654 -3.0459 -3.0459 -2.3562 -2.3562 -2.0856 -2.0856 -1.6491 -1.6491 -1.3376 -1.3376 -1.1811 -1.1811 4.1408 4.1408 6.0821 6.0821 6.1245 6.1245 6.4652 6.4652 k = 0.1190 0.4974-0.0000 ( 4186 PWs) bands (ev): -15.1203 -15.1203 -15.0176 -15.0176 -8.6914 -8.6914 -7.7315 -7.7315 -6.2923 -6.2923 -6.0502 -6.0502 -5.2352 -5.2352 -5.2238 -5.2238 -4.5762 -4.5762 -4.2326 -4.2326 -3.0896 -3.0896 -2.3535 -2.3535 -2.0625 -2.0625 -1.6217 -1.6217 -1.3040 -1.3040 -1.1819 -1.1819 4.0757 4.0757 6.0738 6.0738 6.1104 6.1104 6.4713 6.4713 k = 0.1071 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.1243 -15.1243 -15.0209 -15.0209 -8.7085 -8.7085 -7.7432 -7.7432 -6.3080 -6.3080 -6.0581 -6.0581 -5.2027 -5.2027 -5.1790 -5.1790 -4.5758 -4.5758 -4.2022 -4.2022 -3.1339 -3.1339 -2.3509 -2.3509 -2.0396 -2.0396 -1.5965 -1.5965 -1.2730 -1.2730 -1.1823 -1.1823 4.0158 4.0158 6.0639 6.0639 6.0969 6.0969 6.4755 6.4755 k = 0.0952 0.4974-0.0000 ( 4190 PWs) bands (ev): -15.1280 -15.1280 -15.0239 -15.0239 -8.7239 -8.7239 -7.7538 -7.7538 -6.3221 -6.3221 -6.0654 -6.0654 -5.1834 -5.1834 -5.1254 -5.1254 -4.5757 -4.5757 -4.1744 -4.1744 -3.1777 -3.1777 -2.3485 -2.3485 -2.0175 -2.0175 -1.5736 -1.5736 -1.2447 -1.2447 -1.1826 -1.1826 3.9614 3.9614 6.0530 6.0530 6.0844 6.0844 6.4784 6.4784 k = 0.0833 0.4974-0.0000 ( 4198 PWs) bands (ev): -15.1312 -15.1312 -15.0266 -15.0266 -8.7375 -8.7375 -7.7632 -7.7632 -6.3346 -6.3346 -6.0722 -6.0722 -5.1661 -5.1661 -5.0751 -5.0751 -4.5756 -4.5756 -4.1494 -4.1494 -3.2201 -3.2201 -2.3462 -2.3462 -1.9968 -1.9968 -1.5532 -1.5532 -1.2193 -1.2193 -1.1826 -1.1826 3.9128 3.9128 6.0419 6.0419 6.0729 6.0729 6.4799 6.4799 k = 0.0714 0.4974-0.0000 ( 4194 PWs) bands (ev): -15.1341 -15.1341 -15.0290 -15.0290 -8.7492 -8.7492 -7.7714 -7.7714 -6.3455 -6.3455 -6.0781 -6.0781 -5.1508 -5.1508 -5.0288 -5.0288 -4.5756 -4.5756 -4.1274 -4.1274 -3.2598 -3.2598 -2.3442 -2.3442 -1.9781 -1.9781 -1.5352 -1.5352 -1.1970 -1.1970 -1.1825 -1.1825 3.8701 3.8701 6.0311 6.0311 6.0627 6.0627 6.4806 6.4806 k = 0.0595 0.4974-0.0000 ( 4198 PWs) bands (ev): -15.1365 -15.1365 -15.0311 -15.0311 -8.7593 -8.7593 -7.7784 -7.7784 -6.3547 -6.3547 -6.0833 -6.0833 -5.1377 -5.1377 -4.9874 -4.9874 -4.5757 -4.5757 -4.1085 -4.1085 -3.2960 -3.2960 -2.3424 -2.3424 -1.9616 -1.9616 -1.5199 -1.5199 -1.1826 -1.1826 -1.1776 -1.1776 3.8337 3.8337 6.0210 6.0210 6.0538 6.0538 6.4805 6.4805 k = 0.0476 0.4974-0.0000 ( 4202 PWs) bands (ev): -15.1385 -15.1385 -15.0327 -15.0327 -8.7675 -8.7675 -7.7841 -7.7841 -6.3623 -6.3623 -6.0876 -6.0876 -5.1268 -5.1268 -4.9518 -4.9518 -4.5757 -4.5757 -4.0929 -4.0929 -3.3276 -3.3276 -2.3408 -2.3408 -1.9478 -1.9478 -1.5073 -1.5073 -1.1823 -1.1823 -1.1619 -1.1619 3.8036 3.8036 6.0122 6.0122 6.0464 6.0464 6.4801 6.4801 k = 0.0357 0.4974-0.0000 ( 4198 PWs) bands (ev): -15.1401 -15.1401 -15.0340 -15.0340 -8.7738 -8.7738 -7.7885 -7.7885 -6.3682 -6.3682 -6.0910 -6.0910 -5.1183 -5.1183 -4.9228 -4.9228 -4.5758 -4.5758 -4.0807 -4.0807 -3.3534 -3.3534 -2.3396 -2.3396 -1.9367 -1.9367 -1.4974 -1.4974 -1.1820 -1.1820 -1.1495 -1.1495 3.7800 3.7800 6.0051 6.0051 6.0405 6.0405 6.4795 6.4795 k = 0.0238 0.4974-0.0000 ( 4200 PWs) bands (ev): -15.1412 -15.1412 -15.0350 -15.0350 -8.7784 -8.7784 -7.7917 -7.7917 -6.3725 -6.3725 -6.0935 -6.0935 -5.1122 -5.1122 -4.9014 -4.9014 -4.5759 -4.5759 -4.0719 -4.0719 -3.3727 -3.3727 -2.3387 -2.3387 -1.9287 -1.9287 -1.4903 -1.4903 -1.1818 -1.1818 -1.1406 -1.1406 3.7631 3.7631 5.9997 5.9997 6.0363 6.0363 6.4789 6.4789 k = 0.0119 0.4974-0.0000 ( 4196 PWs) bands (ev): -15.1419 -15.1419 -15.0355 -15.0355 -8.7811 -8.7811 -7.7937 -7.7937 -6.3750 -6.3750 -6.0950 -6.0950 -5.1085 -5.1085 -4.8882 -4.8882 -4.5759 -4.5759 -4.0665 -4.0665 -3.3846 -3.3846 -2.3381 -2.3381 -1.9239 -1.9239 -1.4860 -1.4860 -1.1817 -1.1817 -1.1352 -1.1352 3.7529 3.7529 5.9965 5.9965 6.0337 6.0337 6.4785 6.4785 k = 0.0000 0.4974-0.0000 ( 4200 PWs) bands (ev): -15.1421 -15.1421 -15.0357 -15.0357 -8.7820 -8.7820 -7.7943 -7.7943 -6.3758 -6.3758 -6.0955 -6.0955 -5.1072 -5.1072 -4.8838 -4.8838 -4.5759 -4.5759 -4.0648 -4.0648 -3.3886 -3.3886 -2.3379 -2.3379 -1.9222 -1.9222 -1.4847 -1.4847 -1.1817 -1.1817 -1.1334 -1.1334 3.7496 3.7496 5.9954 5.9954 6.0329 6.0329 6.4784 6.4784 k = 0.0000 0.4974-0.0000 ( 4200 PWs) bands (ev): -15.1421 -15.1421 -15.0357 -15.0357 -8.7820 -8.7820 -7.7943 -7.7943 -6.3758 -6.3758 -6.0955 -6.0955 -5.1072 -5.1072 -4.8838 -4.8838 -4.5759 -4.5759 -4.0648 -4.0648 -3.3886 -3.3886 -2.3379 -2.3379 -1.9222 -1.9222 -1.4847 -1.4847 -1.1817 -1.1817 -1.1334 -1.1334 3.7496 3.7496 5.9954 5.9954 6.0329 6.0329 6.4784 6.4784 k = 0.0000 0.4853-0.0000 ( 4200 PWs) bands (ev): -15.1425 -15.1425 -15.0360 -15.0360 -8.7812 -8.7811 -7.7969 -7.7969 -6.3744 -6.3743 -6.0928 -6.0927 -5.1073 -5.1072 -4.8838 -4.8836 -4.5767 -4.5767 -4.0697 -4.0696 -3.3831 -3.3829 -2.3369 -2.3368 -1.9223 -1.9223 -1.4840 -1.4839 -1.1809 -1.1806 -1.1359 -1.1357 3.7531 3.7532 5.9926 5.9927 6.0344 6.0345 6.4787 6.4787 k = 0.0000 0.4731-0.0000 ( 4188 PWs) bands (ev): -15.1435 -15.1435 -15.0367 -15.0367 -8.7785 -8.7785 -7.8046 -7.8046 -6.3701 -6.3699 -6.0847 -6.0845 -5.1076 -5.1073 -4.8838 -4.8834 -4.5791 -4.5791 -4.0837 -4.0835 -3.3667 -3.3664 -2.3337 -2.3335 -1.9225 -1.9224 -1.4819 -1.4818 -1.1788 -1.1781 -1.1430 -1.1424 3.7638 3.7639 5.9845 5.9847 6.0390 6.0392 6.4796 6.4797 k = 0.0000 0.4610-0.0000 ( 4184 PWs) bands (ev): -15.1452 -15.1452 -15.0379 -15.0379 -8.7741 -8.7741 -7.8172 -7.8172 -6.3629 -6.3626 -6.0715 -6.0712 -5.1079 -5.1074 -4.8837 -4.8831 -4.5830 -4.5830 -4.1054 -4.1052 -3.3411 -3.3405 -2.3284 -2.3281 -1.9226 -1.9225 -1.4785 -1.4784 -1.1776 -1.1761 -1.1526 -1.1514 3.7816 3.7818 5.9713 5.9715 6.0467 6.0469 6.4812 6.4813 k = 0.0000 0.4489-0.0000 ( 4186 PWs) bands (ev): -15.1476 -15.1475 -15.0395 -15.0395 -8.7680 -8.7679 -7.8344 -7.8344 -6.3528 -6.3524 -6.0537 -6.0533 -5.1083 -5.1077 -4.8834 -4.8826 -4.5884 -4.5884 -4.1332 -4.1329 -3.3079 -3.3072 -2.3212 -2.3208 -1.9223 -1.9222 -1.4739 -1.4737 -1.1854 -1.1835 -1.1557 -1.1542 3.8064 3.8066 5.9531 5.9534 6.0574 6.0577 6.4833 6.4834 k = 0.0000 0.4367-0.0000 ( 4188 PWs) bands (ev): -15.1506 -15.1506 -15.0417 -15.0417 -8.7602 -8.7601 -7.8558 -7.8557 -6.3399 -6.3394 -6.0317 -6.0312 -5.1088 -5.1080 -4.8830 -4.8819 -4.5953 -4.5953 -4.1652 -4.1647 -3.2690 -3.2682 -2.3124 -2.3118 -1.9215 -1.9213 -1.4680 -1.4677 -1.2054 -1.2039 -1.1488 -1.1478 3.8379 3.8382 5.9303 5.9306 6.0711 6.0714 6.4858 6.4860 k = 0.0000 0.4246-0.0000 ( 4192 PWs) bands (ev): -15.1542 -15.1542 -15.0442 -15.0442 -8.7508 -8.7507 -7.8808 -7.8808 -6.3242 -6.3237 -6.0062 -6.0056 -5.1094 -5.1084 -4.8822 -4.8809 -4.6036 -4.6036 -4.1997 -4.1990 -3.2260 -3.2250 -2.3021 -2.3014 -1.9196 -1.9194 -1.4610 -1.4607 -1.2324 -1.2311 -1.1379 -1.1371 3.8760 3.8763 5.9032 5.9036 6.0878 6.0882 6.4888 6.4890 k = 0.0000 0.4125-0.0000 ( 4194 PWs) bands (ev): -15.1584 -15.1584 -15.0472 -15.0472 -8.7398 -8.7397 -7.9091 -7.9090 -6.3058 -6.3052 -5.9780 -5.9772 -5.1099 -5.1089 -4.8812 -4.8796 -4.6132 -4.6132 -4.2355 -4.2346 -3.1803 -3.1791 -2.2907 -2.2900 -1.9161 -1.9160 -1.4529 -1.4525 -1.2646 -1.2634 -1.1245 -1.1239 3.9205 3.9208 5.8724 5.8728 6.1074 6.1078 6.4922 6.4923 k = 0.0000 0.4003-0.0000 ( 4206 PWs) bands (ev): -15.1632 -15.1632 -15.0506 -15.0506 -8.7273 -8.7272 -7.9400 -7.9400 -6.2848 -6.2840 -5.9478 -5.9469 -5.1106 -5.1093 -4.8799 -4.8779 -4.6241 -4.6240 -4.2713 -4.2702 -3.1329 -3.1316 -2.2789 -2.2781 -1.9104 -1.9103 -1.4437 -1.4433 -1.3014 -1.3003 -1.1092 -1.1087 3.9710 3.9713 5.8380 5.8385 6.1298 6.1302 6.4958 6.4959 k = 0.0000 0.3882-0.0000 ( 4212 PWs) bands (ev): -15.1686 -15.1686 -15.0544 -15.0544 -8.7135 -8.7133 -7.9732 -7.9731 -6.2611 -6.2602 -5.9162 -5.9152 -5.1111 -5.1097 -4.8784 -4.8760 -4.6360 -4.6360 -4.3061 -4.3048 -3.0846 -3.0833 -2.2672 -2.2663 -1.9017 -1.9017 -1.4335 -1.4330 -1.3424 -1.3413 -1.0920 -1.0916 4.0273 4.0277 5.8007 5.8012 6.1549 6.1555 6.4997 6.4997 k = 0.0000 0.3761-0.0000 ( 4204 PWs) bands (ev): -15.1744 -15.1744 -15.0585 -15.0585 -8.6982 -8.6981 -8.0081 -8.0080 -6.2350 -6.2340 -5.8842 -5.8831 -5.1116 -5.1100 -4.8767 -4.8740 -4.6489 -4.6488 -4.3390 -4.3374 -3.0363 -3.0349 -2.2561 -2.2552 -1.8894 -1.8893 -1.4224 -1.4219 -1.3872 -1.3861 -1.0732 -1.0728 4.0891 4.0895 5.7609 5.7613 6.1827 6.1833 6.5037 6.5037 k = 0.0000 0.3639-0.0000 ( 4200 PWs) bands (ev): -15.1807 -15.1807 -15.0630 -15.0630 -8.6818 -8.6816 -8.0443 -8.0442 -6.2064 -6.2053 -5.8524 -5.8511 -5.1120 -5.1103 -4.8752 -4.8720 -4.6627 -4.6626 -4.3691 -4.3672 -2.9885 -2.9870 -2.2464 -2.2456 -1.8726 -1.8725 -1.4359 -1.4346 -1.4102 -1.4095 -1.0530 -1.0527 4.1560 4.1565 5.7189 5.7193 6.2130 6.2138 6.5079 6.5079 k = 0.0000 0.3518-0.0000 ( 4192 PWs) bands (ev): -15.1874 -15.1874 -15.0677 -15.0677 -8.6642 -8.6641 -8.0815 -8.0814 -6.1756 -6.1744 -5.8214 -5.8199 -5.1123 -5.1103 -4.8741 -4.8705 -4.6772 -4.6771 -4.3954 -4.3931 -2.9416 -2.9400 -2.2386 -2.2378 -1.8510 -1.8507 -1.4876 -1.4863 -1.3972 -1.3965 -1.0315 -1.0312 4.2278 4.2284 5.6751 5.6756 6.2458 6.2466 6.5120 6.5122 k = 0.0000 0.3397-0.0000 ( 4188 PWs) bands (ev): -15.1945 -15.1945 -15.0727 -15.0727 -8.6457 -8.6455 -8.1193 -8.1192 -6.1427 -6.1413 -5.7918 -5.7903 -5.1124 -5.1103 -4.8742 -4.8702 -4.6923 -4.6921 -4.4167 -4.4142 -2.8961 -2.8944 -2.2330 -2.2323 -1.8242 -1.8238 -1.5424 -1.5411 -1.3832 -1.3825 -1.0089 -1.0085 4.3042 4.3048 5.6300 5.6305 6.2809 6.2817 6.5161 6.5164 k = 0.0000 0.3276-0.0000 ( 4180 PWs) bands (ev): -15.2019 -15.2019 -15.0780 -15.0780 -8.6262 -8.6260 -8.1573 -8.1573 -6.1078 -6.1062 -5.7643 -5.7626 -5.1123 -5.1100 -4.8760 -4.8716 -4.7077 -4.7076 -4.4321 -4.4293 -2.8523 -2.8505 -2.2297 -2.2290 -1.7924 -1.7919 -1.6000 -1.5987 -1.3681 -1.3674 -0.9853 -0.9850 4.3848 4.3854 5.5840 5.5844 6.3181 6.3190 6.5201 6.5205 k = 0.0000 0.3154-0.0000 ( 4184 PWs) bands (ev): -15.2096 -15.2096 -15.0835 -15.0835 -8.6060 -8.6058 -8.1955 -8.1954 -6.0710 -6.0693 -5.7391 -5.7372 -5.1120 -5.1094 -4.8802 -4.8755 -4.7235 -4.7233 -4.4406 -4.4376 -2.8103 -2.8085 -2.2285 -2.2279 -1.7559 -1.7554 -1.6601 -1.6587 -1.3518 -1.3511 -0.9609 -0.9606 4.4693 4.4699 5.5375 5.5379 6.3573 6.3583 6.5236 6.5241 k = 0.0000 0.3033-0.0000 ( 4190 PWs) bands (ev): -15.2175 -15.2175 -15.0892 -15.0892 -8.5852 -8.5850 -8.2334 -8.2333 -6.0327 -6.0308 -5.7165 -5.7146 -5.1114 -5.1086 -4.8872 -4.8823 -4.7392 -4.7391 -4.4416 -4.4386 -2.7703 -2.7685 -2.2292 -2.2286 -1.7224 -1.7211 -1.7154 -1.7148 -1.3342 -1.3334 -0.9359 -0.9356 4.5574 4.5580 5.4907 5.4911 6.3983 6.3994 6.5265 6.5271 k = 0.0000 0.2912-0.0000 ( 4176 PWs) bands (ev): -15.2256 -15.2256 -15.0949 -15.0949 -8.5638 -8.5637 -8.2709 -8.2708 -5.9930 -5.9909 -5.6967 -5.6947 -5.1104 -5.1074 -4.8972 -4.8923 -4.7548 -4.7546 -4.4349 -4.4320 -2.7323 -2.7304 -2.2314 -2.2309 -1.7868 -1.7853 -1.6717 -1.6711 -1.3149 -1.3141 -0.9104 -0.9102 4.6488 4.6494 5.4442 5.4446 6.4409 6.4421 6.5285 6.5293 k = 0.0000 0.2790-0.0000 ( 4170 PWs) bands (ev): -15.2339 -15.2338 -15.1008 -15.1008 -8.5421 -8.5419 -8.3078 -8.3077 -5.9520 -5.9498 -5.6797 -5.6776 -5.1093 -5.1059 -4.9100 -4.9052 -4.7698 -4.7697 -4.4210 -4.4182 -2.6964 -2.6946 -2.2349 -2.2344 -1.8530 -1.8515 -1.6258 -1.6252 -1.2936 -1.2927 -0.8846 -0.8844 4.7432 4.7438 5.3983 5.3986 6.4850 6.4862 6.5290 6.5300 k = 0.0000 0.2669-0.0000 ( 4172 PWs) bands (ev): -15.2422 -15.2422 -15.1068 -15.1068 -8.5202 -8.5200 -8.3439 -8.3439 -5.9103 -5.9078 -5.6655 -5.6633 -5.1078 -5.1042 -4.9251 -4.9205 -4.7842 -4.7840 -4.4005 -4.3980 -2.6627 -2.6608 -2.2393 -2.2388 -1.9207 -1.9192 -1.5790 -1.5784 -1.2697 -1.2687 -0.8586 -0.8584 4.8402 4.8409 5.3533 5.3536 6.5266 6.5287 6.5302 6.5325 k = 0.0000 0.2548-0.0000 ( 4170 PWs) bands (ev): -15.2505 -15.2505 -15.1128 -15.1128 -8.4982 -8.4980 -8.3791 -8.3791 -5.8679 -5.8652 -5.6540 -5.6517 -5.1062 -5.1024 -4.9419 -4.9375 -4.7973 -4.7972 -4.3746 -4.3722 -2.6311 -2.6292 -2.2444 -2.2439 -1.9898 -1.9882 -1.5324 -1.5319 -1.2425 -1.2415 -0.8327 -0.8325 4.9396 4.9403 5.3095 5.3098 6.5229 6.5246 6.5764 6.5780 k = 0.0000 0.2426-0.0000 ( 4170 PWs) bands (ev): -15.2589 -15.2588 -15.1188 -15.1188 -8.4764 -8.4762 -8.4132 -8.4131 -5.8253 -5.8224 -5.6448 -5.6425 -5.1045 -5.1005 -4.9598 -4.9556 -4.8088 -4.8088 -4.3441 -4.3420 -2.6014 -2.5996 -2.2499 -2.2495 -2.0599 -2.0584 -1.4875 -1.4870 -1.2114 -1.2103 -0.8069 -0.8067 5.0411 5.0418 5.2673 5.2676 6.5143 6.5161 6.6232 6.6249 k = 0.0000 0.2305-0.0000 ( 4168 PWs) bands (ev): -15.2671 -15.2671 -15.1248 -15.1247 -8.4564 -8.4564 -8.4444 -8.4442 -5.7828 -5.7796 -5.6378 -5.6356 -5.1030 -5.0988 -4.9782 -4.9743 -4.8182 -4.8181 -4.3102 -4.3084 -2.5738 -2.5719 -2.2557 -2.2553 -2.1310 -2.1294 -1.4456 -1.4452 -1.1755 -1.1743 -0.7814 -0.7812 5.1444 5.1451 5.2270 5.2272 6.4995 6.5016 6.6704 6.6722 k = 0.0000 0.2184-0.0000 ( 4164 PWs) bands (ev): -15.2753 -15.2753 -15.1306 -15.1306 -8.4790 -8.4789 -8.4322 -8.4319 -5.7408 -5.7374 -5.6328 -5.6305 -5.1021 -5.0977 -4.9965 -4.9929 -4.8247 -4.8245 -4.2737 -4.2721 -2.5481 -2.5462 -2.2616 -2.2611 -2.2028 -2.2012 -1.4076 -1.4073 -1.1345 -1.1333 -0.7563 -0.7561 5.1888 5.1890 5.2491 5.2499 6.4760 6.4783 6.7176 6.7196 k = 0.0000 0.2062-0.0000 ( 4166 PWs) bands (ev): -15.2833 -15.2833 -15.1364 -15.1364 -8.5092 -8.5092 -8.4113 -8.4111 -5.6997 -5.6961 -5.6294 -5.6272 -5.1020 -5.0976 -5.0146 -5.0112 -4.8277 -4.8273 -4.2355 -4.2341 -2.5242 -2.5224 -2.2751 -2.2735 -2.2674 -2.2669 -1.3739 -1.3736 -1.0887 -1.0874 -0.7318 -0.7316 5.1530 5.1532 5.3550 5.3558 6.4414 6.4436 6.7108 6.7135 k = 0.0000 0.1941-0.0000 ( 4166 PWs) bands (ev): -15.2911 -15.2910 -15.1421 -15.1420 -8.5382 -8.5382 -8.3908 -8.3906 -5.6600 -5.6561 -5.6274 -5.6253 -5.1033 -5.0988 -5.0321 -5.0289 -4.8264 -4.8257 -4.1963 -4.1951 -2.5021 -2.5003 -2.3476 -2.3459 -2.2733 -2.2727 -1.3442 -1.3440 -1.0388 -1.0376 -0.7080 -0.7079 5.1199 5.1200 5.4616 5.4624 6.3942 6.3962 6.6712 6.6734 k = 0.0000 0.1820-0.0000 ( 4172 PWs) bands (ev): -15.2986 -15.2986 -15.1475 -15.1475 -8.5658 -8.5658 -8.3709 -8.3707 -5.6266 -5.6247 -5.6220 -5.6178 -5.1063 -5.1019 -5.0487 -5.0458 -4.8202 -4.8192 -4.1568 -4.1558 -2.4818 -2.4800 -2.4201 -2.4185 -2.2788 -2.2782 -1.3180 -1.3178 -0.9860 -0.9848 -0.6850 -0.6849 5.0896 5.0897 5.5687 5.5695 6.3357 6.3374 6.6374 6.6392 k = 0.0000 0.1698-0.0000 ( 4170 PWs) bands (ev): -15.3059 -15.3058 -15.1528 -15.1528 -8.5919 -8.5919 -8.3518 -8.3516 -5.6268 -5.6249 -5.5860 -5.5817 -5.1111 -5.1068 -5.0645 -5.0618 -4.8086 -4.8073 -4.1175 -4.1166 -2.4924 -2.4907 -2.4631 -2.4613 -2.2841 -2.2835 -1.2947 -1.2946 -0.9315 -0.9304 -0.6630 -0.6628 5.0622 5.0623 5.6759 5.6768 6.2688 6.2701 6.6071 6.6084 k = 0.0000 0.1577-0.0000 ( 4171 PWs) bands (ev): -15.3128 -15.3128 -15.1579 -15.1579 -8.6164 -8.6163 -8.3336 -8.3334 -5.6277 -5.6259 -5.5523 -5.5479 -5.1177 -5.1137 -5.0791 -5.0766 -4.7917 -4.7900 -4.0791 -4.0783 -2.5641 -2.5624 -2.4461 -2.4443 -2.2891 -2.2884 -1.2738 -1.2737 -0.8764 -0.8753 -0.6420 -0.6419 5.0380 5.0380 5.7827 5.7836 6.1966 6.1977 6.5777 6.5786 k = 0.0000 0.1456-0.0000 ( 4175 PWs) bands (ev): -15.3193 -15.3193 -15.1626 -15.1626 -8.6392 -8.6392 -8.3164 -8.3162 -5.6293 -5.6275 -5.5211 -5.5167 -5.1261 -5.1222 -5.0926 -5.0904 -4.7697 -4.7677 -4.0418 -4.0412 -2.6350 -2.6333 -2.4306 -2.4289 -2.2937 -2.2929 -1.2549 -1.2547 -0.8216 -0.8205 -0.6222 -0.6220 5.0168 5.0169 5.8887 5.8897 6.1220 6.1228 6.5475 6.5480 k = 0.0000 0.1334-0.0000 ( 4175 PWs) bands (ev): -15.3255 -15.3255 -15.1671 -15.1671 -8.6604 -8.6603 -8.3002 -8.3000 -5.6312 -5.6296 -5.4925 -5.4880 -5.1359 -5.1322 -5.1050 -5.1030 -4.7430 -4.7408 -4.0063 -4.0057 -2.7046 -2.7029 -2.4167 -2.4149 -2.2978 -2.2971 -1.2376 -1.2375 -0.7680 -0.7670 -0.6035 -0.6034 4.9988 4.9988 5.9935 5.9946 6.0471 6.0477 6.5157 6.5159 k = 0.0000 0.1213-0.0000 ( 4171 PWs) bands (ev): -15.3313 -15.3313 -15.1713 -15.1713 -8.6798 -8.6798 -8.2851 -8.2849 -5.6334 -5.6319 -5.4663 -5.4618 -5.1468 -5.1433 -5.1162 -5.1144 -4.7125 -4.7101 -3.9726 -3.9721 -2.7725 -2.7708 -2.4042 -2.4025 -2.3016 -2.3008 -1.2219 -1.2217 -0.7164 -0.7155 -0.5862 -0.5861 4.9839 4.9839 5.9737 5.9742 6.0966 6.0978 6.4820 6.4821 k = 0.0000 0.1092-0.0000 ( 4175 PWs) bands (ev): -15.3365 -15.3365 -15.1752 -15.1752 -8.6975 -8.6974 -8.2713 -8.2711 -5.6357 -5.6343 -5.4425 -5.4381 -5.1585 -5.1551 -5.1263 -5.1246 -4.6790 -4.6766 -3.9413 -3.9409 -2.8382 -2.8365 -2.3932 -2.3915 -2.3049 -2.3040 -1.2076 -1.2075 -0.6675 -0.6667 -0.5703 -0.5702 4.9719 4.9719 5.9033 5.9037 6.1973 6.1986 6.4468 6.4468 k = 0.0000 0.0971-0.0000 ( 4167 PWs) bands (ev): -15.3413 -15.3413 -15.1787 -15.1787 -8.7133 -8.7133 -8.2587 -8.2586 -5.6380 -5.6368 -5.4208 -5.4165 -5.1707 -5.1674 -5.1351 -5.1337 -4.6436 -4.6412 -3.9126 -3.9122 -2.9010 -2.8994 -2.3835 -2.3819 -2.3078 -2.3069 -1.1947 -1.1946 -0.6218 -0.6211 -0.5559 -0.5558 4.9626 4.9627 5.8370 5.8373 6.2950 6.2964 6.4108 6.4109 k = 0.0000 0.0849-0.0000 ( 4173 PWs) bands (ev): -15.3456 -15.3456 -15.1819 -15.1818 -8.7274 -8.7274 -8.2475 -8.2474 -5.6403 -5.6392 -5.4010 -5.3968 -5.1833 -5.1801 -5.1429 -5.1416 -4.6074 -4.6051 -3.8867 -3.8864 -2.9603 -2.9588 -2.3752 -2.3736 -2.3103 -2.3093 -1.1833 -1.1831 -0.5801 -0.5795 -0.5430 -0.5430 4.9559 4.9559 5.7760 5.7763 6.3752 6.3753 6.3889 6.3905 k = 0.0000 0.0728-0.0000 ( 4171 PWs) bands (ev): -15.3494 -15.3494 -15.1846 -15.1846 -8.7397 -8.7396 -8.2377 -8.2376 -5.6424 -5.6415 -5.3830 -5.3789 -5.1960 -5.1928 -5.1495 -5.1484 -4.5717 -4.5695 -3.8638 -3.8635 -3.0152 -3.0138 -2.3682 -2.3667 -2.3122 -2.3113 -1.1732 -1.1731 -0.5428 -0.5422 -0.5316 -0.5316 4.9512 4.9513 5.7212 5.7214 6.3410 6.3412 6.4782 6.4798 k = 0.0000 0.0607-0.0000 ( 4167 PWs) bands (ev): -15.3526 -15.3526 -15.1870 -15.1870 -8.7500 -8.7500 -8.2293 -8.2292 -5.6443 -5.6436 -5.3664 -5.3625 -5.2085 -5.2055 -5.1550 -5.1541 -4.5378 -4.5359 -3.8441 -3.8439 -3.0646 -3.0634 -2.3623 -2.3610 -2.3138 -2.3129 -1.1646 -1.1645 -0.5223 -0.5222 -0.5100 -0.5095 4.9484 4.9484 5.6734 5.6736 6.3095 6.3097 6.5616 6.5635 k = 0.0000 0.0485-0.0000 ( 4163 PWs) bands (ev): -15.3553 -15.3553 -15.1889 -15.1889 -8.7586 -8.7586 -8.2224 -8.2223 -5.6460 -5.6454 -5.3512 -5.3476 -5.2207 -5.2178 -5.1595 -5.1588 -4.5071 -4.5055 -3.8278 -3.8277 -3.1075 -3.1065 -2.3577 -2.3565 -2.3149 -2.3141 -1.1575 -1.1574 -0.5143 -0.5142 -0.4828 -0.4825 4.9468 4.9469 5.6334 5.6335 6.2819 6.2821 6.6379 6.6398 k = 0.0000 0.0364-0.0000 ( 4163 PWs) bands (ev): -15.3574 -15.3574 -15.1904 -15.1904 -8.7652 -8.7652 -8.2170 -8.2169 -5.6473 -5.6468 -5.3375 -5.3343 -5.2323 -5.2296 -5.1629 -5.1624 -4.4812 -4.4799 -3.8150 -3.8149 -3.1427 -3.1418 -2.3541 -2.3531 -2.3157 -2.3150 -1.1519 -1.1518 -0.5080 -0.5080 -0.4612 -0.4610 4.9462 4.9462 5.6016 5.6017 6.2592 6.2593 6.7050 6.7069 k = 0.0000 0.0243-0.0000 ( 4161 PWs) bands (ev): -15.3588 -15.3588 -15.1915 -15.1915 -8.7699 -8.7699 -8.2131 -8.2131 -5.6482 -5.6479 -5.3256 -5.3230 -5.2425 -5.2402 -5.1653 -5.1650 -4.4613 -4.4604 -3.8058 -3.8057 -3.1688 -3.1683 -2.3516 -2.3509 -2.3162 -2.3157 -1.1478 -1.1478 -0.5036 -0.5036 -0.4456 -0.4454 4.9461 4.9461 5.5786 5.5786 6.2423 6.2424 6.7597 6.7613 k = 0.0000 0.0121-0.0000 ( 4155 PWs) bands (ev): -15.3597 -15.3597 -15.1922 -15.1922 -8.7728 -8.7728 -8.2108 -8.2107 -5.6488 -5.6486 -5.3167 -5.3150 -5.2498 -5.2483 -5.1667 -5.1666 -4.4487 -4.4483 -3.8003 -3.8002 -3.1849 -3.1846 -2.3500 -2.3496 -2.3163 -2.3161 -1.1454 -1.1454 -0.5009 -0.5009 -0.4360 -0.4360 4.9462 4.9462 5.5646 5.5646 6.2318 6.2319 6.7972 6.7982 k = 0.0000 0.0000 0.0000 ( 4161 PWs) bands (ev): -15.3600 -15.3600 -15.1924 -15.1924 -8.7738 -8.7738 -8.2100 -8.2100 -5.6489 -5.6489 -5.3126 -5.3126 -5.2521 -5.2521 -5.1672 -5.1672 -4.4443 -4.4443 -3.7984 -3.7984 -3.1903 -3.1903 -2.3493 -2.3493 -2.3163 -2.3163 -1.1446 -1.1446 -0.5000 -0.5000 -0.4329 -0.4329 4.9462 4.9462 5.5599 5.5599 6.2283 6.2283 6.8112 6.8112 k = 0.0000 0.0000 0.0000 ( 4161 PWs) bands (ev): -15.3600 -15.3600 -15.1924 -15.1924 -8.7738 -8.7738 -8.2100 -8.2100 -5.6489 -5.6489 -5.3126 -5.3126 -5.2521 -5.2521 -5.1672 -5.1672 -4.4443 -4.4443 -3.7984 -3.7984 -3.1903 -3.1903 -2.3493 -2.3493 -2.3163 -2.3163 -1.1446 -1.1446 -0.5000 -0.5000 -0.4329 -0.4329 4.9462 4.9462 5.5599 5.5599 6.2283 6.2283 6.8112 6.8112 k = 0.0000 0.0000 0.0119 ( 4159 PWs) bands (ev): -15.3598 -15.3598 -15.1927 -15.1927 -8.7729 -8.7729 -8.2109 -8.2108 -5.6493 -5.6490 -5.3155 -5.3151 -5.2509 -5.2505 -5.1647 -5.1643 -4.4449 -4.4448 -3.8054 -3.8049 -3.1829 -3.1824 -2.3483 -2.3482 -2.3167 -2.3166 -1.1439 -1.1439 -0.5033 -0.5033 -0.4337 -0.4337 4.9503 4.9503 5.5611 5.5612 6.2274 6.2274 6.8091 6.8093 k = 0.0000 0.0000 0.0239 ( 4153 PWs) bands (ev): -15.3591 -15.3591 -15.1935 -15.1935 -8.7703 -8.7703 -8.2134 -8.2134 -5.6502 -5.6494 -5.3234 -5.3226 -5.2469 -5.2461 -5.1573 -5.1566 -4.4466 -4.4465 -3.8249 -3.8240 -3.1612 -3.1602 -2.3453 -2.3450 -2.3176 -2.3175 -1.1419 -1.1419 -0.5129 -0.5129 -0.4364 -0.4363 4.9625 4.9626 5.5647 5.5648 6.2248 6.2248 6.8031 6.8033 k = 0.0000 0.0000 0.0358 ( 4151 PWs) bands (ev): -15.3578 -15.3578 -15.1948 -15.1948 -8.7660 -8.7660 -8.2177 -8.2177 -5.6514 -5.6503 -5.3349 -5.3338 -5.2402 -5.2390 -5.1464 -5.1455 -4.4495 -4.4493 -3.8545 -3.8533 -3.1276 -3.1263 -2.3400 -2.3397 -2.3191 -2.3189 -1.1387 -1.1387 -0.5288 -0.5287 -0.4407 -0.4407 4.9827 4.9828 5.5707 5.5709 6.2204 6.2204 6.7930 6.7933 k = 0.0000 0.0000 0.0478 ( 4153 PWs) bands (ev): -15.3562 -15.3562 -15.1967 -15.1967 -8.7600 -8.7599 -8.2237 -8.2236 -5.6529 -5.6514 -5.3489 -5.3475 -5.2310 -5.2293 -5.1331 -5.1320 -4.4534 -4.4532 -3.8914 -3.8899 -3.0853 -3.0837 -2.3324 -2.3320 -2.3212 -2.3210 -1.1345 -1.1344 -0.5505 -0.5504 -0.4468 -0.4467 5.0105 5.0106 5.5790 5.5793 6.2142 6.2143 6.7789 6.7794 k = 0.0000 0.0000 0.0597 ( 4165 PWs) bands (ev): -15.3540 -15.3540 -15.1991 -15.1991 -8.7524 -8.7523 -8.2313 -8.2312 -5.6544 -5.6527 -5.3644 -5.3629 -5.2194 -5.2174 -5.1183 -5.1171 -4.4583 -4.4581 -3.9331 -3.9315 -3.0368 -3.0350 -2.3243 -2.3240 -2.3222 -2.3215 -1.1296 -1.1296 -0.5774 -0.5773 -0.4545 -0.4545 5.0457 5.0458 5.5896 5.5899 6.2064 6.2065 6.7607 6.7613 k = 0.0000 0.0000 0.0717 ( 4177 PWs) bands (ev): -15.3514 -15.3514 -15.2020 -15.2020 -8.7431 -8.7431 -8.2406 -8.2405 -5.6559 -5.6539 -5.3810 -5.3793 -5.2056 -5.2034 -5.1026 -5.1014 -4.4641 -4.4639 -3.9777 -3.9760 -2.9844 -2.9824 -2.3275 -2.3272 -2.3094 -2.3087 -1.1246 -1.1246 -0.6088 -0.6087 -0.4639 -0.4639 5.0876 5.0877 5.6024 5.6027 6.1969 6.1970 6.7385 6.7391 k = 0.0000 0.0000 0.0836 ( 4185 PWs) bands (ev): -15.3483 -15.3483 -15.2054 -15.2054 -8.7324 -8.7323 -8.2514 -8.2512 -5.6570 -5.6548 -5.3981 -5.3963 -5.1900 -5.1874 -5.0865 -5.0852 -4.4707 -4.4705 -4.0240 -4.0222 -2.9299 -2.9278 -2.3315 -2.3312 -2.2933 -2.2925 -1.1203 -1.1202 -0.6435 -0.6434 -0.4749 -0.4749 5.1357 5.1358 5.6173 5.6177 6.1858 6.1859 6.7123 6.7130 k = 0.0000 0.0000 0.0955 ( 4183 PWs) bands (ev): -15.3448 -15.3448 -15.2092 -15.2092 -8.7201 -8.7200 -8.2636 -8.2635 -5.6577 -5.6553 -5.4155 -5.4136 -5.1727 -5.1699 -5.0703 -5.0690 -4.4779 -4.4776 -4.0709 -4.0690 -2.8747 -2.8725 -2.3362 -2.3358 -2.2735 -2.2726 -1.1177 -1.1176 -0.6801 -0.6799 -0.4874 -0.4873 5.1895 5.1896 5.6342 5.6346 6.1732 6.1732 6.6820 6.6828 k = 0.0000 0.0000 0.1075 ( 4181 PWs) bands (ev): -15.3409 -15.3409 -15.2135 -15.2135 -8.7064 -8.7063 -8.2773 -8.2771 -5.6578 -5.6553 -5.4329 -5.4309 -5.1540 -5.1510 -5.0542 -5.0529 -4.4855 -4.4852 -4.1176 -4.1158 -2.8204 -2.8181 -2.3416 -2.3411 -2.2494 -2.2484 -1.1185 -1.1184 -0.7165 -0.7163 -0.5013 -0.5012 5.2482 5.2484 5.6530 5.6534 6.1590 6.1590 6.6478 6.6486 k = 0.0000 0.0000 0.1194 ( 4183 PWs) bands (ev): -15.3366 -15.3366 -15.2181 -15.2181 -8.6914 -8.6913 -8.2923 -8.2921 -5.6572 -5.6546 -5.4503 -5.4482 -5.1342 -5.1310 -5.0385 -5.0371 -4.4934 -4.4930 -4.1638 -4.1620 -2.7680 -2.7656 -2.3476 -2.3471 -2.2204 -2.2193 -1.1251 -1.1250 -0.7502 -0.7500 -0.5166 -0.5165 5.3112 5.3114 5.6735 5.6740 6.1434 6.1434 6.6097 6.6104 k = 0.0000 0.0000 0.1314 ( 4175 PWs) bands (ev): -15.3319 -15.3319 -15.2231 -15.2231 -8.6751 -8.6750 -8.3085 -8.3084 -5.6558 -5.6531 -5.4675 -5.4653 -5.1135 -5.1102 -5.0234 -5.0219 -4.5011 -4.5008 -4.2088 -4.2070 -2.7186 -2.7162 -2.3543 -2.3537 -2.1858 -2.1847 -1.1401 -1.1399 -0.7780 -0.7778 -0.5332 -0.5330 5.3777 5.3780 5.6956 5.6961 6.1263 6.1263 6.5677 6.5685 k = 0.0000 0.0000 0.1433 ( 4175 PWs) bands (ev): -15.3269 -15.3269 -15.2285 -15.2284 -8.6577 -8.6576 -8.3259 -8.3257 -5.6535 -5.6507 -5.4844 -5.4821 -5.0924 -5.0890 -5.0091 -5.0075 -4.5086 -4.5082 -4.2523 -4.2506 -2.6732 -2.6709 -2.3618 -2.3611 -2.1453 -2.1441 -1.1658 -1.1656 -0.7973 -0.7971 -0.5509 -0.5507 5.4470 5.4473 5.7192 5.7197 6.1079 6.1079 6.5221 6.5228 k = 0.0000 0.0000 0.1552 ( 4174 PWs) bands (ev): -15.3216 -15.3216 -15.2341 -15.2341 -8.6393 -8.6392 -8.3443 -8.3441 -5.6502 -5.6474 -5.5008 -5.4985 -5.0712 -5.0678 -4.9958 -4.9942 -4.5153 -4.5150 -4.2940 -4.2924 -2.6323 -2.6300 -2.3700 -2.3693 -2.0987 -2.0975 -1.2031 -1.2029 -0.8070 -0.8068 -0.5696 -0.5695 5.5182 5.5186 5.7441 5.7447 6.0881 6.0882 6.4728 6.4736 k = 0.0000 0.0000 0.1672 ( 4156 PWs) bands (ev): -15.3160 -15.3160 -15.2400 -15.2400 -8.6200 -8.6199 -8.3636 -8.3634 -5.6458 -5.6430 -5.5168 -5.5144 -5.0503 -5.0468 -4.9838 -4.9821 -4.5209 -4.5206 -4.3334 -4.3319 -2.5960 -2.5938 -2.3790 -2.3782 -2.0462 -2.0450 -1.2508 -1.2505 -0.8077 -0.8076 -0.5892 -0.5891 5.5906 5.5911 5.7705 5.7711 6.0672 6.0672 6.4202 6.4209 k = 0.0000 0.0000 0.1791 ( 4164 PWs) bands (ev): -15.3102 -15.3102 -15.2461 -15.2461 -8.5999 -8.5997 -8.3837 -8.3835 -5.6405 -5.6376 -5.5322 -5.5297 -5.0303 -5.0267 -4.9736 -4.9717 -4.5249 -4.5246 -4.3702 -4.3688 -2.5641 -2.5620 -2.3889 -2.3880 -1.9883 -1.9872 -1.3070 -1.3066 -0.8015 -0.8013 -0.6097 -0.6096 5.6631 5.6636 5.7985 5.7991 6.0449 6.0450 6.3644 6.3651 k = 0.0000 0.0000 0.1911 ( 4152 PWs) bands (ev): -15.3041 -15.3041 -15.2524 -15.2524 -8.5791 -8.5789 -8.4045 -8.4043 -5.6341 -5.6312 -5.5469 -5.5444 -5.0115 -5.0080 -4.9654 -4.9633 -4.5266 -4.5264 -4.4039 -4.4026 -2.5362 -2.5342 -2.3996 -2.3987 -1.9258 -1.9248 -1.3692 -1.3688 -0.7899 -0.7898 -0.6307 -0.6306 5.7339 5.7345 5.8290 5.8297 6.0215 6.0216 6.3056 6.3062 k = 0.0000 0.0000 0.2030 ( 4146 PWs) bands (ev): -15.2979 -15.2979 -15.2588 -15.2588 -8.5577 -8.5575 -8.4258 -8.4256 -5.6266 -5.6238 -5.5609 -5.5583 -4.9947 -4.9913 -4.9597 -4.9574 -4.5255 -4.5254 -4.4341 -4.4330 -2.5117 -2.5099 -2.4114 -2.4103 -1.8597 -1.8588 -1.4358 -1.4354 -0.7747 -0.7746 -0.6522 -0.6520 5.7987 5.7993 5.8656 5.8663 5.9970 5.9971 6.2440 6.2446 k = 0.0000 0.0000 0.2150 ( 4156 PWs) bands (ev): -15.2915 -15.2915 -15.2653 -15.2653 -8.5360 -8.5358 -8.4476 -8.4474 -5.6181 -5.6153 -5.5742 -5.5715 -4.9805 -4.9772 -4.9570 -4.9545 -4.5210 -4.5210 -4.4604 -4.4595 -2.4901 -2.4885 -2.4242 -2.4230 -1.7908 -1.7900 -1.5053 -1.5048 -0.7570 -0.7568 -0.6739 -0.6737 5.8493 5.8496 5.9162 5.9164 5.9714 5.9715 6.1800 6.1805 k = 0.0000 0.0000 0.2269 ( 4160 PWs) bands (ev): -15.2850 -15.2850 -15.2719 -15.2719 -8.5140 -8.5138 -8.4696 -8.4695 -5.6086 -5.6058 -5.5866 -5.5839 -4.9693 -4.9662 -4.9575 -4.9548 -4.5126 -4.5124 -4.4823 -4.4817 -2.4710 -2.4694 -2.4383 -2.4370 -1.7201 -1.7194 -1.5764 -1.5759 -0.7375 -0.7373 -0.6955 -0.6954 5.8859 5.8860 5.9447 5.9448 5.9795 5.9795 6.1140 6.1144 k = 0.0000 0.0000 0.2388 ( 4152 PWs) bands (ev): -15.2785 -15.2785 -15.2785 -15.2785 -8.4918 -8.4918 -8.4916 -8.4916 -5.5981 -5.5981 -5.5953 -5.5953 -4.9616 -4.9616 -4.9587 -4.9587 -4.4997 -4.4997 -4.4993 -4.4993 -2.4538 -2.4538 -2.4524 -2.4524 -1.6483 -1.6483 -1.6477 -1.6477 -0.7168 -0.7168 -0.7167 -0.7167 5.9165 5.9165 5.9166 5.9166 6.0466 6.0466 6.0469 6.0469 k = 0.0000 0.0000 0.2388 ( 4152 PWs) bands (ev): -15.2785 -15.2785 -15.2785 -15.2785 -8.4918 -8.4918 -8.4916 -8.4916 -5.5981 -5.5981 -5.5953 -5.5953 -4.9616 -4.9616 -4.9587 -4.9587 -4.4997 -4.4997 -4.4993 -4.4993 -2.4538 -2.4538 -2.4524 -2.4524 -1.6483 -1.6483 -1.6477 -1.6477 -0.7168 -0.7168 -0.7167 -0.7167 5.9165 5.9165 5.9166 5.9166 6.0466 6.0466 6.0469 6.0469 k = 0.0119-0.0000 0.2388 ( 4148 PWs) bands (ev): -15.2782 -15.2782 -15.2782 -15.2782 -8.4916 -8.4916 -8.4914 -8.4914 -5.6007 -5.6005 -5.5980 -5.5977 -4.9614 -4.9607 -4.9584 -4.9579 -4.4984 -4.4980 -4.4979 -4.4977 -2.4554 -2.4552 -2.4539 -2.4538 -1.6475 -1.6475 -1.6470 -1.6468 -0.7170 -0.7169 -0.7168 -0.7168 5.9116 5.9119 5.9120 5.9124 6.0510 6.0516 6.0517 6.0518 k = 0.0238-0.0000 0.2388 ( 4142 PWs) bands (ev): -15.2773 -15.2773 -15.2773 -15.2773 -8.4912 -8.4911 -8.4910 -8.4910 -5.6082 -5.6079 -5.6058 -5.6050 -4.9602 -4.9588 -4.9571 -4.9562 -4.4941 -4.4935 -4.4934 -4.4931 -2.4600 -2.4596 -2.4585 -2.4584 -1.6453 -1.6452 -1.6447 -1.6445 -0.7173 -0.7172 -0.7171 -0.7171 5.8991 5.8996 5.8999 5.9004 6.0633 6.0642 6.0642 6.0648 k = 0.0357-0.0000 0.2388 ( 4148 PWs) bands (ev): -15.2759 -15.2759 -15.2759 -15.2759 -8.4904 -8.4904 -8.4902 -8.4902 -5.6204 -5.6200 -5.6182 -5.6171 -4.9580 -4.9559 -4.9549 -4.9537 -4.4870 -4.4864 -4.4860 -4.4858 -2.4676 -2.4670 -2.4661 -2.4658 -1.6416 -1.6414 -1.6411 -1.6408 -0.7178 -0.7177 -0.7176 -0.7176 5.8820 5.8826 5.8830 5.8835 6.0807 6.0816 6.0817 6.0824 k = 0.0476-0.0000 0.2388 ( 4156 PWs) bands (ev): -15.2739 -15.2739 -15.2739 -15.2739 -8.4894 -8.4894 -8.4892 -8.4892 -5.6369 -5.6363 -5.6349 -5.6336 -4.9549 -4.9524 -4.9520 -4.9503 -4.4774 -4.4767 -4.4761 -4.4759 -2.4780 -2.4772 -2.4765 -2.4762 -1.6365 -1.6363 -1.6361 -1.6356 -0.7185 -0.7184 -0.7183 -0.7183 5.8624 5.8631 5.8635 5.8640 6.1007 6.1016 6.1018 6.1026 k = 0.0595-0.0000 0.2388 ( 4164 PWs) bands (ev): -15.2714 -15.2714 -15.2714 -15.2714 -8.4882 -8.4881 -8.4880 -8.4879 -5.6571 -5.6565 -5.6554 -5.6539 -4.9511 -4.9484 -4.9482 -4.9464 -4.4656 -4.4649 -4.4642 -4.4639 -2.4910 -2.4900 -2.4895 -2.4891 -1.6301 -1.6298 -1.6297 -1.6292 -0.7195 -0.7193 -0.7193 -0.7192 5.8412 5.8420 5.8424 5.8428 6.1221 6.1228 6.1232 6.1240 k = 0.0714-0.0000 0.2388 ( 4172 PWs) bands (ev): -15.2683 -15.2683 -15.2683 -15.2683 -8.4867 -8.4866 -8.4865 -8.4865 -5.6806 -5.6799 -5.6790 -5.6774 -4.9468 -4.9443 -4.9436 -4.9420 -4.4520 -4.4514 -4.4505 -4.4502 -2.5064 -2.5053 -2.5050 -2.5045 -1.6224 -1.6220 -1.6220 -1.6215 -0.7206 -0.7205 -0.7204 -0.7204 5.8191 5.8199 5.8203 5.8207 6.1439 6.1444 6.1450 6.1458 k = 0.0833-0.0000 0.2388 ( 4166 PWs) bands (ev): -15.2647 -15.2647 -15.2647 -15.2647 -8.4850 -8.4849 -8.4848 -8.4848 -5.7066 -5.7058 -5.7053 -5.7035 -4.9420 -4.9399 -4.9387 -4.9373 -4.4371 -4.4366 -4.4355 -4.4352 -2.5239 -2.5227 -2.5226 -2.5221 -1.6135 -1.6132 -1.6131 -1.6126 -0.7220 -0.7218 -0.7218 -0.7217 5.7964 5.7971 5.7975 5.7979 6.1656 6.1659 6.1667 6.1674 k = 0.0952-0.0000 0.2388 ( 4170 PWs) bands (ev): -15.2606 -15.2606 -15.2606 -15.2606 -8.4832 -8.4831 -8.4830 -8.4830 -5.7346 -5.7338 -5.7335 -5.7317 -4.9371 -4.9352 -4.9337 -4.9323 -4.4214 -4.4210 -4.4199 -4.4194 -2.5434 -2.5422 -2.5421 -2.5415 -1.6036 -1.6034 -1.6031 -1.6027 -0.7236 -0.7234 -0.7234 -0.7234 5.7730 5.7737 5.7740 5.7744 6.1867 6.1867 6.1878 6.1884 k = 0.1071-0.0000 0.2388 ( 4170 PWs) bands (ev): -15.2560 -15.2560 -15.2560 -15.2560 -8.4814 -8.4813 -8.4812 -8.4812 -5.7642 -5.7633 -5.7632 -5.7614 -4.9319 -4.9304 -4.9285 -4.9273 -4.4053 -4.4051 -4.4038 -4.4033 -2.5644 -2.5633 -2.5630 -2.5625 -1.5929 -1.5927 -1.5923 -1.5920 -0.7255 -0.7253 -0.7253 -0.7252 5.7489 5.7496 5.7499 5.7502 6.2066 6.2069 6.2080 6.2085 k = 0.1190-0.0000 0.2388 ( 4178 PWs) bands (ev): -15.2510 -15.2510 -15.2510 -15.2510 -8.4795 -8.4794 -8.4793 -8.4793 -5.7947 -5.7939 -5.7938 -5.7921 -4.9267 -4.9256 -4.9234 -4.9221 -4.3893 -4.3893 -4.3880 -4.3874 -2.5865 -2.5856 -2.5851 -2.5848 -1.5813 -1.5811 -1.5807 -1.5804 -0.7276 -0.7274 -0.7274 -0.7273 5.7241 5.7248 5.7250 5.7253 6.2253 6.2259 6.2270 6.2273 k = 0.1310-0.0000 0.2388 ( 4186 PWs) bands (ev): -15.2455 -15.2455 -15.2455 -15.2455 -8.4777 -8.4775 -8.4775 -8.4775 -5.8257 -5.8251 -5.8248 -5.8232 -4.9215 -4.9207 -4.9183 -4.9171 -4.3742 -4.3739 -4.3728 -4.3720 -2.6096 -2.6089 -2.6081 -2.6079 -1.5692 -1.5690 -1.5685 -1.5683 -0.7300 -0.7297 -0.7297 -0.7297 5.6986 5.6992 5.6994 5.6996 6.2424 6.2434 6.2445 6.2446 k = 0.1429-0.0000 0.2388 ( 4182 PWs) bands (ev): -15.2396 -15.2396 -15.2396 -15.2396 -8.4760 -8.4758 -8.4758 -8.4757 -5.8567 -5.8562 -5.8558 -5.8544 -4.9163 -4.9159 -4.9134 -4.9120 -4.3600 -4.3595 -4.3586 -4.3576 -2.6330 -2.6325 -2.6316 -2.6314 -1.5565 -1.5563 -1.5557 -1.5556 -0.7325 -0.7323 -0.7323 -0.7322 5.6722 5.6728 5.6729 5.6732 6.2578 6.2593 6.2601 6.2603 k = 0.1548-0.0000 0.2388 ( 4184 PWs) bands (ev): -15.2333 -15.2333 -15.2333 -15.2333 -8.4744 -8.4742 -8.4742 -8.4742 -5.8874 -5.8870 -5.8864 -5.8852 -4.9113 -4.9113 -4.9086 -4.9072 -4.3472 -4.3464 -4.3458 -4.3446 -2.6565 -2.6562 -2.6551 -2.6550 -1.5435 -1.5433 -1.5427 -1.5426 -0.7353 -0.7351 -0.7351 -0.7350 5.6449 5.6455 5.6456 5.6458 6.2712 6.2731 6.2737 6.2741 k = 0.1667-0.0000 0.2388 ( 4188 PWs) bands (ev): -15.2266 -15.2266 -15.2266 -15.2266 -8.4731 -8.4729 -8.4729 -8.4729 -5.9173 -5.9170 -5.9163 -5.9153 -4.9070 -4.9065 -4.9041 -4.9026 -4.3362 -4.3350 -4.3347 -4.3334 -2.6797 -2.6796 -2.6783 -2.6782 -1.5303 -1.5301 -1.5295 -1.5293 -0.7383 -0.7381 -0.7381 -0.7380 5.6167 5.6173 5.6173 5.6175 6.2825 6.2848 6.2851 6.2858 k = 0.1786-0.0000 0.2388 ( 4176 PWs) bands (ev): -15.2196 -15.2196 -15.2196 -15.2196 -8.4721 -8.4719 -8.4719 -8.4719 -5.9461 -5.9459 -5.9451 -5.9443 -4.9029 -4.9020 -4.8999 -4.8982 -4.3273 -4.3257 -4.3256 -4.3241 -2.7022 -2.7020 -2.7007 -2.7007 -1.5170 -1.5168 -1.5162 -1.5159 -0.7414 -0.7413 -0.7412 -0.7412 5.5877 5.5882 5.5882 5.5883 6.2915 6.2943 6.2943 6.2952 k = 0.1905-0.0000 0.2388 ( 4180 PWs) bands (ev): -15.2123 -15.2123 -15.2123 -15.2123 -8.4715 -8.4714 -8.4713 -8.4713 -5.9735 -5.9735 -5.9725 -5.9719 -4.8992 -4.8980 -4.8961 -4.8943 -4.3206 -4.3189 -4.3186 -4.3172 -2.7237 -2.7233 -2.7221 -2.7220 -1.5039 -1.5036 -1.5030 -1.5027 -0.7447 -0.7446 -0.7445 -0.7445 5.5577 5.5581 5.5582 5.5583 6.2982 6.3011 6.3015 6.3022 k = 0.2024-0.0000 0.2388 ( 4176 PWs) bands (ev): -15.2048 -15.2048 -15.2048 -15.2048 -8.4713 -8.4712 -8.4712 -8.4711 -5.9993 -5.9993 -5.9982 -5.9978 -4.8961 -4.8945 -4.8929 -4.8910 -4.3164 -4.3146 -4.3140 -4.3127 -2.7438 -2.7430 -2.7419 -2.7418 -1.4910 -1.4907 -1.4901 -1.4897 -0.7480 -0.7480 -0.7479 -0.7478 5.5270 5.5274 5.5274 5.5275 6.3026 6.3055 6.3062 6.3069 k = 0.2143-0.0000 0.2388 ( 4174 PWs) bands (ev): -15.1971 -15.1971 -15.1971 -15.1971 -8.4717 -8.4715 -8.4715 -8.4715 -6.0232 -6.0231 -6.0220 -6.0217 -4.8936 -4.8916 -4.8903 -4.8882 -4.3149 -4.3130 -4.3120 -4.3109 -2.7620 -2.7609 -2.7600 -2.7599 -1.4785 -1.4782 -1.4776 -1.4771 -0.7514 -0.7514 -0.7513 -0.7512 5.4956 5.4959 5.4960 5.4961 6.3046 6.3076 6.3086 6.3091 k = 0.2262-0.0000 0.2388 ( 4170 PWs) bands (ev): -15.1892 -15.1892 -15.1892 -15.1892 -8.4725 -8.4724 -8.4724 -8.4723 -6.0450 -6.0448 -6.0437 -6.0436 -4.8920 -4.8895 -4.8886 -4.8863 -4.3160 -4.3140 -4.3127 -4.3116 -2.7781 -2.7768 -2.7760 -2.7758 -1.4665 -1.4662 -1.4657 -1.4651 -0.7548 -0.7548 -0.7547 -0.7546 5.4637 5.4639 5.4640 5.4641 6.3043 6.3073 6.3086 6.3090 k = 0.2381-0.0000 0.2388 ( 4176 PWs) bands (ev): -15.1812 -15.1812 -15.1812 -15.1812 -8.4740 -8.4739 -8.4739 -8.4738 -6.0644 -6.0641 -6.0631 -6.0630 -4.8913 -4.8884 -4.8878 -4.8854 -4.3197 -4.3177 -4.3160 -4.3151 -2.7919 -2.7904 -2.7897 -2.7895 -1.4552 -1.4549 -1.4544 -1.4537 -0.7582 -0.7581 -0.7581 -0.7579 5.4314 5.4316 5.4316 5.4317 6.3018 6.3049 6.3064 6.3067 k = 0.2500-0.0000 0.2388 ( 4172 PWs) bands (ev): -15.1731 -15.1731 -15.1731 -15.1731 -8.4761 -8.4760 -8.4759 -8.4759 -6.0813 -6.0810 -6.0800 -6.0798 -4.8918 -4.8884 -4.8882 -4.8856 -4.3259 -4.3238 -4.3217 -4.3209 -2.8033 -2.8015 -2.8010 -2.8007 -1.4447 -1.4443 -1.4439 -1.4431 -0.7614 -0.7613 -0.7613 -0.7611 5.3989 5.3990 5.3991 5.3992 6.2973 6.3004 6.3021 6.3022 k = 0.2619-0.0000 0.2388 ( 4168 PWs) bands (ev): -15.1649 -15.1649 -15.1649 -15.1649 -8.4787 -8.4787 -8.4786 -8.4786 -6.0956 -6.0952 -6.0944 -6.0940 -4.8936 -4.8899 -4.8899 -4.8872 -4.3343 -4.3321 -4.3298 -4.3291 -2.8122 -2.8101 -2.8097 -2.8094 -1.4351 -1.4347 -1.4343 -1.4334 -0.7644 -0.7643 -0.7643 -0.7641 5.3664 5.3665 5.3666 5.3667 6.2909 6.2940 6.2958 6.2959 k = 0.2738-0.0000 0.2388 ( 4164 PWs) bands (ev): -15.1568 -15.1568 -15.1567 -15.1567 -8.4820 -8.4820 -8.4819 -8.4818 -6.1072 -6.1067 -6.1060 -6.1055 -4.8970 -4.8933 -4.8929 -4.8904 -4.3446 -4.3424 -4.3397 -4.3391 -2.8185 -2.8162 -2.8160 -2.8157 -1.4264 -1.4261 -1.4256 -1.4247 -0.7672 -0.7670 -0.7670 -0.7668 5.3341 5.3342 5.3342 5.3344 6.2829 6.2860 6.2878 6.2879 k = 0.2857-0.0000 0.2388 ( 4164 PWs) bands (ev): -15.1487 -15.1487 -15.1487 -15.1487 -8.4859 -8.4858 -8.4858 -8.4857 -6.1160 -6.1154 -6.1149 -6.1143 -4.9023 -4.8984 -4.8978 -4.8954 -4.3564 -4.3541 -4.3512 -4.3506 -2.8224 -2.8199 -2.8199 -2.8195 -1.4189 -1.4185 -1.4181 -1.4171 -0.7697 -0.7695 -0.7694 -0.7693 5.3022 5.3023 5.3023 5.3025 6.2735 6.2765 6.2782 6.2786 k = 0.2976-0.0000 0.2388 ( 4166 PWs) bands (ev): -15.1407 -15.1407 -15.1407 -15.1407 -8.4903 -8.4903 -8.4902 -8.4901 -6.1221 -6.1214 -6.1211 -6.1202 -4.9096 -4.9057 -4.9047 -4.9026 -4.3692 -4.3669 -4.3637 -4.3632 -2.8240 -2.8215 -2.8214 -2.8210 -1.4125 -1.4122 -1.4117 -1.4107 -0.7718 -0.7716 -0.7716 -0.7714 5.2709 5.2709 5.2709 5.2712 6.2629 6.2659 6.2675 6.2680 k = 0.3095-0.0000 0.2388 ( 4170 PWs) bands (ev): -15.1328 -15.1328 -15.1328 -15.1328 -8.4952 -8.4952 -8.4952 -8.4951 -6.1254 -6.1247 -6.1245 -6.1234 -4.9192 -4.9151 -4.9140 -4.9121 -4.3824 -4.3801 -4.3768 -4.3763 -2.8235 -2.8209 -2.8207 -2.8204 -1.4072 -1.4069 -1.4065 -1.4054 -0.7736 -0.7734 -0.7733 -0.7731 5.2404 5.2404 5.2404 5.2407 6.2514 6.2544 6.2558 6.2564 k = 0.3214-0.0000 0.2388 ( 4166 PWs) bands (ev): -15.1252 -15.1252 -15.1252 -15.1252 -8.5006 -8.5006 -8.5005 -8.5004 -6.1260 -6.1252 -6.1252 -6.1240 -4.9311 -4.9270 -4.9256 -4.9240 -4.3957 -4.3934 -4.3899 -4.3896 -2.8211 -2.8185 -2.8181 -2.8179 -1.4031 -1.4028 -1.4024 -1.4013 -0.7750 -0.7747 -0.7746 -0.7745 5.2108 5.2109 5.2109 5.2112 6.2394 6.2423 6.2435 6.2443 k = 0.3333-0.0000 0.2388 ( 4170 PWs) bands (ev): -15.1177 -15.1177 -15.1177 -15.1177 -8.5063 -8.5063 -8.5062 -8.5061 -6.1241 -6.1233 -6.1232 -6.1219 -4.9455 -4.9413 -4.9398 -4.9385 -4.4085 -4.4063 -4.4028 -4.4024 -2.8170 -2.8145 -2.8140 -2.8138 -1.4001 -1.3999 -1.3995 -1.3983 -0.7760 -0.7757 -0.7756 -0.7754 5.1824 5.1825 5.1825 5.1828 6.2269 6.2297 6.2308 6.2317 k = 0.3452-0.0000 0.2388 ( 4172 PWs) bands (ev): -15.1106 -15.1106 -15.1106 -15.1106 -8.5122 -8.5122 -8.5122 -8.5121 -6.1197 -6.1190 -6.1187 -6.1175 -4.9623 -4.9581 -4.9565 -4.9555 -4.4205 -4.4184 -4.4149 -4.4146 -2.8116 -2.8091 -2.8084 -2.8083 -1.3982 -1.3980 -1.3976 -1.3964 -0.7766 -0.7763 -0.7762 -0.7760 5.1554 5.1554 5.1555 5.1557 6.2143 6.2171 6.2179 6.2189 k = 0.3571-0.0000 0.2388 ( 4160 PWs) bands (ev): -15.1038 -15.1038 -15.1038 -15.1038 -8.5184 -8.5183 -8.5183 -8.5182 -6.1131 -6.1124 -6.1120 -6.1107 -4.9814 -4.9771 -4.9754 -4.9749 -4.4313 -4.4294 -4.4259 -4.4257 -2.8050 -2.8026 -2.8018 -2.8017 -1.3972 -1.3971 -1.3967 -1.3955 -0.7768 -0.7765 -0.7765 -0.7762 5.1298 5.1298 5.1299 5.1302 6.2018 6.2045 6.2052 6.2062 k = 0.3690-0.0000 0.2388 ( 4168 PWs) bands (ev): -15.0973 -15.0973 -15.0973 -15.0973 -8.5245 -8.5245 -8.5245 -8.5244 -6.1045 -6.1039 -6.1033 -6.1020 -5.0026 -4.9982 -4.9965 -4.9963 -4.4409 -4.4391 -4.4357 -4.4356 -2.7977 -2.7954 -2.7945 -2.7944 -1.3971 -1.3971 -1.3967 -1.3955 -0.7768 -0.7764 -0.7764 -0.7762 5.1057 5.1058 5.1059 5.1062 6.1895 6.1922 6.1926 6.1938 k = 0.3810-0.0000 0.2388 ( 4180 PWs) bands (ev): -15.0913 -15.0913 -15.0913 -15.0913 -8.5307 -8.5306 -8.5306 -8.5305 -6.0943 -6.0937 -6.0929 -6.0917 -5.0253 -5.0209 -5.0194 -5.0193 -4.4491 -4.4475 -4.4443 -4.4442 -2.7899 -2.7878 -2.7867 -2.7866 -1.3978 -1.3978 -1.3975 -1.3962 -0.7765 -0.7761 -0.7761 -0.7758 5.0834 5.0835 5.0837 5.0839 6.1778 6.1804 6.1806 6.1818 k = 0.3929-0.0000 0.2388 ( 4180 PWs) bands (ev): -15.0857 -15.0857 -15.0857 -15.0857 -8.5366 -8.5366 -8.5365 -8.5364 -6.0826 -6.0821 -6.0811 -6.0799 -5.0491 -5.0446 -5.0437 -5.0431 -4.4560 -4.4545 -4.4516 -4.4515 -2.7818 -2.7799 -2.7786 -2.7786 -1.3991 -1.3991 -1.3988 -1.3976 -0.7759 -0.7756 -0.7755 -0.7753 5.0629 5.0630 5.0632 5.0634 6.1666 6.1692 6.1692 6.1705 k = 0.4048-0.0000 0.2388 ( 4188 PWs) bands (ev): -15.0806 -15.0806 -15.0806 -15.0806 -8.5423 -8.5423 -8.5422 -8.5421 -6.0700 -6.0696 -6.0684 -6.0672 -5.0733 -5.0688 -5.0684 -5.0674 -4.4617 -4.4603 -4.4577 -4.4577 -2.7738 -2.7720 -2.7706 -2.7706 -1.4009 -1.4008 -1.4006 -1.3994 -0.7752 -0.7749 -0.7748 -0.7745 5.0444 5.0445 5.0447 5.0449 6.1563 6.1585 6.1588 6.1600 k = 0.4167-0.0000 0.2388 ( 4188 PWs) bands (ev): -15.0760 -15.0760 -15.0760 -15.0760 -8.5476 -8.5475 -8.5475 -8.5474 -6.0569 -6.0566 -6.0551 -6.0540 -5.0974 -5.0930 -5.0928 -5.0916 -4.4662 -4.4650 -4.4627 -4.4626 -2.7661 -2.7644 -2.7629 -2.7629 -1.4030 -1.4027 -1.4027 -1.4015 -0.7744 -0.7741 -0.7740 -0.7737 5.0278 5.0279 5.0282 5.0283 6.1469 6.1489 6.1493 6.1503 k = 0.4286-0.0000 0.2388 ( 4182 PWs) bands (ev): -15.0720 -15.0720 -15.0720 -15.0720 -8.5523 -8.5523 -8.5522 -8.5522 -6.0438 -6.0435 -6.0418 -6.0407 -5.1204 -5.1166 -5.1159 -5.1148 -4.4698 -4.4687 -4.4667 -4.4666 -2.7588 -2.7574 -2.7557 -2.7557 -1.4051 -1.4049 -1.4048 -1.4037 -0.7735 -0.7732 -0.7731 -0.7729 5.0134 5.0135 5.0137 5.0139 6.1386 6.1402 6.1409 6.1418 k = 0.4405-0.0000 0.2388 ( 4174 PWs) bands (ev): -15.0685 -15.0685 -15.0685 -15.0685 -8.5566 -8.5565 -8.5564 -8.5564 -6.0312 -6.0310 -6.0290 -6.0281 -5.1417 -5.1385 -5.1372 -5.1363 -4.4725 -4.4715 -4.4699 -4.4697 -2.7523 -2.7511 -2.7493 -2.7492 -1.4072 -1.4070 -1.4068 -1.4058 -0.7727 -0.7724 -0.7722 -0.7721 5.0011 5.0011 5.0014 5.0016 6.1314 6.1328 6.1336 6.1344 k = 0.4524-0.0000 0.2388 ( 4164 PWs) bands (ev): -15.0656 -15.0656 -15.0656 -15.0656 -8.5601 -8.5601 -8.5600 -8.5599 -6.0198 -6.0196 -6.0174 -6.0166 -5.1605 -5.1578 -5.1560 -5.1552 -4.4744 -4.4735 -4.4724 -4.4721 -2.7466 -2.7457 -2.7437 -2.7437 -1.4091 -1.4090 -1.4086 -1.4079 -0.7719 -0.7717 -0.7715 -0.7713 4.9909 4.9910 4.9913 4.9914 6.1254 6.1265 6.1276 6.1282 k = 0.4643-0.0000 0.2388 ( 4164 PWs) bands (ev): -15.0634 -15.0634 -15.0634 -15.0634 -8.5629 -8.5629 -8.5628 -8.5628 -6.0101 -6.0100 -6.0075 -6.0069 -5.1760 -5.1740 -5.1716 -5.1710 -4.4758 -4.4750 -4.4743 -4.4739 -2.7421 -2.7413 -2.7393 -2.7392 -1.4108 -1.4107 -1.4102 -1.4096 -0.7713 -0.7711 -0.7708 -0.7707 4.9830 4.9830 4.9834 4.9835 6.1207 6.1216 6.1229 6.1233 k = 0.4762-0.0000 0.2388 ( 4174 PWs) bands (ev): -15.0618 -15.0618 -15.0618 -15.0618 -8.5650 -8.5650 -8.5649 -8.5649 -6.0027 -6.0026 -5.9999 -5.9995 -5.1876 -5.1862 -5.1832 -5.1829 -4.4766 -4.4759 -4.4756 -4.4752 -2.7387 -2.7382 -2.7360 -2.7360 -1.4121 -1.4120 -1.4114 -1.4110 -0.7708 -0.7707 -0.7703 -0.7703 4.9773 4.9773 4.9777 4.9777 6.1174 6.1179 6.1194 6.1198 k = 0.4881-0.0000 0.2388 ( 4174 PWs) bands (ev): -15.0608 -15.0608 -15.0608 -15.0608 -8.5663 -8.5663 -8.5661 -8.5661 -5.9981 -5.9980 -5.9952 -5.9949 -5.1946 -5.1939 -5.1904 -5.1903 -4.4770 -4.4765 -4.4764 -4.4760 -2.7366 -2.7363 -2.7340 -2.7340 -1.4128 -1.4128 -1.4121 -1.4119 -0.7705 -0.7704 -0.7700 -0.7700 4.9739 4.9739 4.9743 4.9743 6.1154 6.1157 6.1174 6.1176 k = 0.5000-0.0000 0.2388 ( 4168 PWs) bands (ev): -15.0605 -15.0605 -15.0605 -15.0605 -8.5667 -8.5667 -8.5665 -8.5665 -5.9965 -5.9965 -5.9935 -5.9935 -5.1967 -5.1967 -5.1928 -5.1928 -4.4770 -4.4770 -4.4764 -4.4764 -2.7358 -2.7358 -2.7333 -2.7333 -1.4131 -1.4131 -1.4122 -1.4122 -0.7703 -0.7703 -0.7699 -0.7699 4.9728 4.9728 4.9732 4.9732 6.1148 6.1148 6.1168 6.1168 k = 0.5000-0.0000 0.2388 ( 4168 PWs) bands (ev): -15.0605 -15.0605 -15.0605 -15.0605 -8.5667 -8.5667 -8.5665 -8.5665 -5.9965 -5.9965 -5.9935 -5.9935 -5.1967 -5.1967 -5.1928 -5.1928 -4.4770 -4.4770 -4.4764 -4.4764 -2.7358 -2.7358 -2.7333 -2.7333 -1.4131 -1.4131 -1.4122 -1.4122 -0.7703 -0.7703 -0.7699 -0.7699 4.9728 4.9728 4.9732 4.9732 6.1148 6.1148 6.1168 6.1168 k = 0.5000 0.0121 0.2388 ( 4172 PWs) bands (ev): -15.0603 -15.0603 -15.0603 -15.0603 -8.5657 -8.5657 -8.5656 -8.5656 -5.9964 -5.9964 -5.9934 -5.9934 -5.1969 -5.1969 -5.1929 -5.1929 -4.4784 -4.4784 -4.4779 -4.4779 -2.7356 -2.7356 -2.7331 -2.7331 -1.4158 -1.4158 -1.4149 -1.4149 -0.7709 -0.7709 -0.7704 -0.7704 4.9746 4.9746 4.9750 4.9750 6.1167 6.1167 6.1186 6.1186 k = 0.5000 0.0243 0.2388 ( 4168 PWs) bands (ev): -15.0598 -15.0598 -15.0598 -15.0598 -8.5628 -8.5628 -8.5626 -8.5626 -5.9964 -5.9964 -5.9933 -5.9933 -5.1973 -5.1973 -5.1934 -5.1934 -4.4827 -4.4827 -4.4821 -4.4821 -2.7350 -2.7350 -2.7325 -2.7325 -1.4239 -1.4239 -1.4230 -1.4230 -0.7726 -0.7726 -0.7722 -0.7722 4.9800 4.9800 4.9804 4.9804 6.1222 6.1222 6.1242 6.1242 k = 0.5000 0.0364 0.2388 ( 4168 PWs) bands (ev): -15.0589 -15.0589 -15.0589 -15.0589 -8.5579 -8.5579 -8.5577 -8.5577 -5.9963 -5.9963 -5.9933 -5.9933 -5.1980 -5.1980 -5.1941 -5.1941 -4.4898 -4.4898 -4.4892 -4.4892 -2.7341 -2.7341 -2.7316 -2.7316 -1.4372 -1.4372 -1.4362 -1.4362 -0.7756 -0.7756 -0.7751 -0.7751 4.9890 4.9890 4.9894 4.9894 6.1312 6.1312 6.1331 6.1331 k = 0.5000 0.0485 0.2388 ( 4172 PWs) bands (ev): -15.0576 -15.0576 -15.0576 -15.0576 -8.5510 -8.5510 -8.5508 -8.5508 -5.9962 -5.9962 -5.9932 -5.9932 -5.1991 -5.1991 -5.1952 -5.1952 -4.4996 -4.4996 -4.4988 -4.4988 -2.7330 -2.7330 -2.7305 -2.7305 -1.4553 -1.4553 -1.4542 -1.4542 -0.7799 -0.7799 -0.7795 -0.7795 5.0013 5.0013 5.0018 5.0018 6.1433 6.1433 6.1453 6.1453 k = 0.5000 0.0607 0.2388 ( 4180 PWs) bands (ev): -15.0560 -15.0560 -15.0560 -15.0560 -8.5422 -8.5422 -8.5420 -8.5420 -5.9962 -5.9962 -5.9931 -5.9931 -5.2007 -5.2007 -5.1968 -5.1968 -4.5117 -4.5117 -4.5109 -4.5109 -2.7317 -2.7317 -2.7293 -2.7293 -1.4778 -1.4778 -1.4767 -1.4767 -0.7858 -0.7858 -0.7854 -0.7854 5.0169 5.0169 5.0174 5.0174 6.1582 6.1582 6.1601 6.1601 k = 0.5000 0.0728 0.2388 ( 4192 PWs) bands (ev): -15.0541 -15.0541 -15.0541 -15.0541 -8.5315 -8.5315 -8.5313 -8.5313 -5.9963 -5.9963 -5.9932 -5.9932 -5.2029 -5.2029 -5.1990 -5.1990 -4.5260 -4.5260 -4.5251 -4.5251 -2.7305 -2.7305 -2.7281 -2.7281 -1.5043 -1.5043 -1.5030 -1.5030 -0.7935 -0.7935 -0.7930 -0.7930 5.0355 5.0355 5.0360 5.0360 6.1752 6.1752 6.1772 6.1772 k = 0.5000 0.0849 0.2388 ( 4192 PWs) bands (ev): -15.0519 -15.0519 -15.0519 -15.0519 -8.5188 -8.5188 -8.5186 -8.5186 -5.9965 -5.9965 -5.9934 -5.9934 -5.2058 -5.2058 -5.2018 -5.2018 -4.5421 -4.5421 -4.5411 -4.5411 -2.7294 -2.7294 -2.7270 -2.7270 -1.5341 -1.5341 -1.5328 -1.5328 -0.8029 -0.8029 -0.8025 -0.8025 5.0569 5.0569 5.0575 5.0575 6.1939 6.1939 6.1959 6.1959 k = 0.5000 0.0971 0.2388 ( 4192 PWs) bands (ev): -15.0493 -15.0493 -15.0493 -15.0493 -8.5042 -8.5042 -8.5040 -8.5040 -5.9968 -5.9968 -5.9937 -5.9937 -5.2095 -5.2095 -5.2055 -5.2055 -4.5596 -4.5596 -4.5586 -4.5586 -2.7285 -2.7285 -2.7262 -2.7262 -1.5667 -1.5667 -1.5654 -1.5654 -0.8145 -0.8145 -0.8141 -0.8141 5.0809 5.0809 5.0814 5.0814 6.2134 6.2134 6.2154 6.2154 k = 0.5000 0.1092 0.2388 ( 4192 PWs) bands (ev): -15.0464 -15.0464 -15.0464 -15.0464 -8.4877 -8.4877 -8.4875 -8.4875 -5.9975 -5.9975 -5.9944 -5.9944 -5.2143 -5.2143 -5.2103 -5.2103 -4.5782 -4.5782 -4.5772 -4.5772 -2.7281 -2.7281 -2.7258 -2.7258 -1.6016 -1.6016 -1.6003 -1.6003 -0.8281 -0.8281 -0.8277 -0.8277 5.1070 5.1070 5.1076 5.1076 6.2330 6.2330 6.2350 6.2350 k = 0.5000 0.1213 0.2388 ( 4192 PWs) bands (ev): -15.0433 -15.0433 -15.0433 -15.0433 -8.4693 -8.4693 -8.4691 -8.4691 -5.9985 -5.9985 -5.9953 -5.9953 -5.2204 -5.2204 -5.2164 -5.2164 -4.5976 -4.5976 -4.5965 -4.5965 -2.7283 -2.7283 -2.7260 -2.7260 -1.6382 -1.6382 -1.6369 -1.6369 -0.8440 -0.8440 -0.8436 -0.8436 5.1352 5.1352 5.1358 5.1358 6.2520 6.2520 6.2539 6.2539 k = 0.5000 0.1334 0.2388 ( 4188 PWs) bands (ev): -15.0399 -15.0399 -15.0399 -15.0399 -8.4491 -8.4491 -8.4489 -8.4489 -6.0000 -6.0000 -5.9968 -5.9968 -5.2280 -5.2280 -5.2239 -5.2239 -4.6171 -4.6171 -4.6160 -4.6160 -2.7292 -2.7292 -2.7270 -2.7270 -1.6760 -1.6760 -1.6747 -1.6747 -0.8622 -0.8622 -0.8618 -0.8618 5.1650 5.1650 5.1656 5.1656 6.2697 6.2697 6.2716 6.2716 k = 0.5000 0.1456 0.2388 ( 4192 PWs) bands (ev): -15.0362 -15.0362 -15.0362 -15.0362 -8.4271 -8.4271 -8.4269 -8.4269 -6.0020 -6.0020 -5.9988 -5.9988 -5.2372 -5.2372 -5.2331 -5.2331 -4.6365 -4.6365 -4.6354 -4.6354 -2.7308 -2.7308 -2.7287 -2.7287 -1.7144 -1.7144 -1.7132 -1.7132 -0.8827 -0.8827 -0.8823 -0.8823 5.1963 5.1963 5.1970 5.1970 6.2855 6.2855 6.2874 6.2874 k = 0.5000 0.1577 0.2388 ( 4188 PWs) bands (ev): -15.0323 -15.0323 -15.0323 -15.0323 -8.4032 -8.4032 -8.4030 -8.4030 -6.0048 -6.0048 -6.0015 -6.0015 -5.2483 -5.2483 -5.2442 -5.2442 -4.6554 -4.6554 -4.6542 -4.6542 -2.7333 -2.7333 -2.7313 -2.7313 -1.7530 -1.7530 -1.7519 -1.7519 -0.9054 -0.9054 -0.9050 -0.9050 5.2288 5.2288 5.2295 5.2295 6.2991 6.2991 6.3010 6.3010 k = 0.5000 0.1698 0.2388 ( 4188 PWs) bands (ev): -15.0282 -15.0282 -15.0282 -15.0282 -8.3776 -8.3776 -8.3774 -8.3774 -6.0083 -6.0083 -6.0049 -6.0049 -5.2615 -5.2615 -5.2574 -5.2574 -4.6732 -4.6732 -4.6720 -4.6720 -2.7367 -2.7367 -2.7348 -2.7348 -1.7913 -1.7913 -1.7903 -1.7903 -0.9304 -0.9304 -0.9299 -0.9299 5.2623 5.2623 5.2630 5.2630 6.3102 6.3102 6.3121 6.3121 k = 0.5000 0.1820 0.2388 ( 4184 PWs) bands (ev): -15.0239 -15.0239 -15.0239 -15.0239 -8.3503 -8.3503 -8.3500 -8.3500 -6.0127 -6.0127 -6.0093 -6.0093 -5.2769 -5.2769 -5.2727 -5.2727 -4.6898 -4.6898 -4.6886 -4.6886 -2.7409 -2.7409 -2.7391 -2.7391 -1.8291 -1.8291 -1.8282 -1.8282 -0.9574 -0.9574 -0.9569 -0.9569 5.2966 5.2966 5.2973 5.2973 6.3190 6.3190 6.3209 6.3209 k = 0.5000 0.1941 0.2388 ( 4188 PWs) bands (ev): -15.0195 -15.0195 -15.0195 -15.0195 -8.3213 -8.3213 -8.3210 -8.3210 -6.0182 -6.0182 -6.0148 -6.0148 -5.2945 -5.2945 -5.2903 -5.2903 -4.7049 -4.7049 -4.7038 -4.7038 -2.7459 -2.7459 -2.7442 -2.7442 -1.8659 -1.8659 -1.8651 -1.8651 -0.9866 -0.9866 -0.9860 -0.9860 5.3315 5.3315 5.3322 5.3322 6.3256 6.3256 6.3275 6.3275 k = 0.5000 0.2062 0.2388 ( 4192 PWs) bands (ev): -15.0149 -15.0149 -15.0149 -15.0149 -8.2906 -8.2906 -8.2903 -8.2903 -6.0250 -6.0250 -6.0215 -6.0215 -5.3143 -5.3143 -5.3101 -5.3101 -4.7184 -4.7184 -4.7172 -4.7172 -2.7515 -2.7515 -2.7499 -2.7499 -1.9014 -1.9014 -1.9008 -1.9008 -1.0177 -1.0177 -1.0171 -1.0171 5.3669 5.3669 5.3676 5.3676 6.3303 6.3303 6.3322 6.3322 k = 0.5000 0.2184 0.2388 ( 4196 PWs) bands (ev): -15.0102 -15.0102 -15.0102 -15.0102 -8.2583 -8.2583 -8.2580 -8.2580 -6.0331 -6.0331 -6.0296 -6.0296 -5.3362 -5.3362 -5.3320 -5.3320 -4.7300 -4.7300 -4.7288 -4.7288 -2.7576 -2.7576 -2.7562 -2.7562 -1.9356 -1.9356 -1.9352 -1.9352 -1.0506 -1.0506 -1.0499 -1.0499 5.4025 5.4025 5.4032 5.4032 6.3334 6.3334 6.3353 6.3353 k = 0.5000 0.2305 0.2388 ( 4184 PWs) bands (ev): -15.0054 -15.0054 -15.0054 -15.0054 -8.2244 -8.2244 -8.2241 -8.2241 -6.0427 -6.0427 -6.0392 -6.0392 -5.3599 -5.3599 -5.3557 -5.3557 -4.7398 -4.7398 -4.7387 -4.7387 -2.7639 -2.7639 -2.7626 -2.7626 -1.9682 -1.9682 -1.9679 -1.9679 -1.0851 -1.0851 -1.0844 -1.0844 5.4384 5.4384 5.4391 5.4391 6.3353 6.3353 6.3373 6.3373 k = 0.5000 0.2426 0.2388 ( 4184 PWs) bands (ev): -15.0006 -15.0006 -15.0006 -15.0006 -8.1892 -8.1892 -8.1888 -8.1888 -6.0540 -6.0540 -6.0504 -6.0504 -5.3853 -5.3853 -5.3811 -5.3811 -4.7480 -4.7480 -4.7469 -4.7469 -2.7704 -2.7704 -2.7692 -2.7692 -1.9992 -1.9992 -1.9990 -1.9990 -1.1212 -1.1212 -1.1204 -1.1204 5.4744 5.4744 5.4751 5.4751 6.3364 6.3364 6.3384 6.3384 k = 0.5000 0.2548 0.2388 ( 4192 PWs) bands (ev): -14.9958 -14.9958 -14.9958 -14.9958 -8.1525 -8.1525 -8.1521 -8.1521 -6.0671 -6.0671 -6.0635 -6.0635 -5.4120 -5.4120 -5.4078 -5.4078 -4.7546 -4.7546 -4.7534 -4.7534 -2.7766 -2.7766 -2.7755 -2.7755 -2.0286 -2.0286 -2.0283 -2.0283 -1.1586 -1.1586 -1.1577 -1.1577 5.5103 5.5103 5.5110 5.5110 6.3370 6.3370 6.3390 6.3390 k = 0.5000 0.2669 0.2388 ( 4188 PWs) bands (ev): -14.9909 -14.9909 -14.9909 -14.9909 -8.1145 -8.1145 -8.1141 -8.1141 -6.0821 -6.0821 -6.0785 -6.0785 -5.4396 -5.4396 -5.4355 -5.4355 -4.7596 -4.7596 -4.7585 -4.7585 -2.7823 -2.7823 -2.7814 -2.7814 -2.0564 -2.0564 -2.0560 -2.0560 -1.1971 -1.1971 -1.1961 -1.1961 5.5463 5.5463 5.5469 5.5469 6.3373 6.3373 6.3394 6.3394 k = 0.5000 0.2790 0.2388 ( 4188 PWs) bands (ev): -14.9861 -14.9861 -14.9861 -14.9861 -8.0752 -8.0752 -8.0749 -8.0749 -6.0992 -6.0992 -6.0957 -6.0957 -5.4678 -5.4678 -5.4637 -5.4637 -4.7634 -4.7634 -4.7623 -4.7623 -2.7873 -2.7873 -2.7865 -2.7865 -2.0825 -2.0825 -2.0819 -2.0819 -1.2365 -1.2365 -1.2355 -1.2355 5.5821 5.5821 5.5827 5.5827 6.3377 6.3377 6.3398 6.3398 k = 0.5000 0.2912 0.2388 ( 4180 PWs) bands (ev): -14.9813 -14.9813 -14.9813 -14.9813 -8.0348 -8.0348 -8.0345 -8.0345 -6.1184 -6.1184 -6.1149 -6.1149 -5.4962 -5.4962 -5.4922 -5.4922 -4.7660 -4.7660 -4.7650 -4.7650 -2.7913 -2.7913 -2.7905 -2.7905 -2.1070 -2.1070 -2.1062 -2.1062 -1.2767 -1.2767 -1.2757 -1.2757 5.6177 5.6177 5.6184 5.6184 6.3382 6.3382 6.3404 6.3404 k = 0.5000 0.3033 0.2388 ( 4176 PWs) bands (ev): -14.9767 -14.9767 -14.9767 -14.9767 -7.9935 -7.9935 -7.9931 -7.9931 -6.1398 -6.1398 -6.1364 -6.1364 -5.5244 -5.5244 -5.5206 -5.5206 -4.7676 -4.7676 -4.7666 -4.7666 -2.7941 -2.7941 -2.7934 -2.7934 -2.1299 -2.1299 -2.1290 -2.1290 -1.3173 -1.3173 -1.3163 -1.3163 5.6531 5.6531 5.6538 5.6538 6.3390 6.3390 6.3413 6.3413 k = 0.5000 0.3154 0.2388 ( 4176 PWs) bands (ev): -14.9721 -14.9721 -14.9721 -14.9721 -7.9513 -7.9513 -7.9509 -7.9509 -6.1634 -6.1634 -6.1601 -6.1601 -5.5521 -5.5521 -5.5484 -5.5484 -4.7683 -4.7683 -4.7674 -4.7674 -2.7956 -2.7956 -2.7950 -2.7950 -2.1514 -2.1514 -2.1502 -2.1502 -1.3583 -1.3583 -1.3572 -1.3572 5.6882 5.6882 5.6889 5.6889 6.3401 6.3401 6.3425 6.3425 k = 0.5000 0.3276 0.2388 ( 4168 PWs) bands (ev): -14.9677 -14.9677 -14.9677 -14.9677 -7.9083 -7.9083 -7.9079 -7.9079 -6.1891 -6.1891 -6.1860 -6.1860 -5.5790 -5.5790 -5.5755 -5.5755 -4.7683 -4.7683 -4.7675 -4.7675 -2.7956 -2.7956 -2.7950 -2.7950 -2.1713 -2.1713 -2.1701 -2.1701 -1.3992 -1.3992 -1.3981 -1.3981 5.7229 5.7229 5.7237 5.7237 6.3416 6.3416 6.3440 6.3440 k = 0.5000 0.3397 0.2388 ( 4168 PWs) bands (ev): -14.9634 -14.9634 -14.9634 -14.9634 -7.8649 -7.8649 -7.8645 -7.8645 -6.2170 -6.2170 -6.2139 -6.2139 -5.6048 -5.6048 -5.6015 -5.6015 -4.7678 -4.7678 -4.7670 -4.7670 -2.7941 -2.7941 -2.7935 -2.7935 -2.1900 -2.1900 -2.1885 -2.1885 -1.4399 -1.4399 -1.4387 -1.4387 5.7572 5.7572 5.7581 5.7581 6.3435 6.3435 6.3460 6.3460 k = 0.5000 0.3518 0.2388 ( 4168 PWs) bands (ev): -14.9594 -14.9594 -14.9594 -14.9594 -7.8212 -7.8212 -7.8208 -7.8208 -6.2467 -6.2467 -6.2438 -6.2438 -5.6293 -5.6293 -5.6262 -5.6262 -4.7667 -4.7667 -4.7660 -4.7660 -2.7911 -2.7911 -2.7905 -2.7905 -2.2072 -2.2072 -2.2057 -2.2057 -1.4800 -1.4800 -1.4788 -1.4788 5.7909 5.7909 5.7919 5.7919 6.3456 6.3456 6.3481 6.3481 k = 0.5000 0.3639 0.2388 ( 4164 PWs) bands (ev): -14.9556 -14.9556 -14.9556 -14.9556 -7.7776 -7.7776 -7.7771 -7.7771 -6.2780 -6.2780 -6.2753 -6.2753 -5.6522 -5.6522 -5.6493 -5.6493 -4.7653 -4.7653 -4.7646 -4.7646 -2.7866 -2.7866 -2.7860 -2.7860 -2.2231 -2.2231 -2.2215 -2.2215 -1.5192 -1.5192 -1.5179 -1.5179 5.8239 5.8239 5.8250 5.8250 6.3479 6.3479 6.3505 6.3505 k = 0.5000 0.3761 0.2388 ( 4156 PWs) bands (ev): -14.9520 -14.9520 -14.9520 -14.9520 -7.7342 -7.7342 -7.7337 -7.7337 -6.3105 -6.3105 -6.3080 -6.3080 -5.6734 -5.6734 -5.6708 -5.6708 -4.7636 -4.7636 -4.7630 -4.7630 -2.7809 -2.7809 -2.7802 -2.7802 -2.2377 -2.2377 -2.2360 -2.2360 -1.5571 -1.5571 -1.5559 -1.5559 5.8560 5.8560 5.8572 5.8572 6.3502 6.3502 6.3529 6.3529 k = 0.5000 0.3882 0.2388 ( 4152 PWs) bands (ev): -14.9487 -14.9487 -14.9487 -14.9487 -7.6915 -7.6915 -7.6911 -7.6911 -6.3439 -6.3439 -6.3416 -6.3416 -5.6928 -5.6928 -5.6904 -5.6904 -4.7617 -4.7617 -4.7613 -4.7613 -2.7740 -2.7740 -2.7733 -2.7733 -2.2511 -2.2511 -2.2492 -2.2492 -1.5935 -1.5935 -1.5923 -1.5923 5.8871 5.8871 5.8884 5.8884 6.3525 6.3525 6.3552 6.3552 k = 0.5000 0.4003 0.2388 ( 4148 PWs) bands (ev): -14.9456 -14.9456 -14.9456 -14.9456 -7.6500 -7.6500 -7.6495 -7.6495 -6.3775 -6.3775 -6.3754 -6.3754 -5.7103 -5.7103 -5.7081 -5.7081 -4.7598 -4.7598 -4.7594 -4.7594 -2.7663 -2.7663 -2.7656 -2.7656 -2.2630 -2.2630 -2.2611 -2.2611 -1.6278 -1.6278 -1.6266 -1.6266 5.9167 5.9167 5.9182 5.9182 6.3544 6.3544 6.3572 6.3572 k = 0.5000 0.4125 0.2388 ( 4160 PWs) bands (ev): -14.9429 -14.9429 -14.9429 -14.9429 -7.6102 -7.6102 -7.6098 -7.6098 -6.4106 -6.4106 -6.4087 -6.4087 -5.7258 -5.7258 -5.7239 -5.7239 -4.7579 -4.7579 -4.7576 -4.7576 -2.7582 -2.7582 -2.7574 -2.7574 -2.2737 -2.2737 -2.2717 -2.2717 -1.6598 -1.6598 -1.6586 -1.6586 5.9446 5.9446 5.9462 5.9462 6.3560 6.3560 6.3588 6.3588 k = 0.5000 0.4246 0.2388 ( 4156 PWs) bands (ev): -14.9405 -14.9405 -14.9405 -14.9405 -7.5729 -7.5729 -7.5724 -7.5724 -6.4425 -6.4425 -6.4408 -6.4408 -5.7393 -5.7393 -5.7376 -5.7376 -4.7561 -4.7561 -4.7558 -4.7558 -2.7498 -2.7498 -2.7491 -2.7491 -2.2830 -2.2830 -2.2810 -2.2810 -1.6888 -1.6888 -1.6876 -1.6876 5.9705 5.9705 5.9722 5.9722 6.3571 6.3571 6.3599 6.3599 k = 0.5000 0.4367 0.2388 ( 4152 PWs) bands (ev): -14.9385 -14.9385 -14.9385 -14.9385 -7.5387 -7.5387 -7.5383 -7.5383 -6.4722 -6.4722 -6.4708 -6.4708 -5.7507 -5.7507 -5.7493 -5.7493 -4.7544 -4.7544 -4.7542 -4.7542 -2.7417 -2.7417 -2.7410 -2.7410 -2.2909 -2.2909 -2.2889 -2.2889 -1.7144 -1.7144 -1.7133 -1.7133 5.9938 5.9938 5.9956 5.9956 6.3577 6.3577 6.3605 6.3605 k = 0.5000 0.4489 0.2388 ( 4152 PWs) bands (ev): -14.9368 -14.9368 -14.9368 -14.9368 -7.5087 -7.5087 -7.5084 -7.5084 -6.4988 -6.4988 -6.4975 -6.4975 -5.7601 -5.7601 -5.7589 -5.7589 -4.7529 -4.7529 -4.7527 -4.7527 -2.7343 -2.7343 -2.7337 -2.7337 -2.2973 -2.2973 -2.2954 -2.2954 -1.7362 -1.7362 -1.7352 -1.7352 6.0141 6.0141 6.0160 6.0160 6.3579 6.3579 6.3606 6.3606 k = 0.5000 0.4610 0.2388 ( 4156 PWs) bands (ev): -14.9355 -14.9355 -14.9355 -14.9355 -7.4838 -7.4838 -7.4835 -7.4835 -6.5210 -6.5210 -6.5200 -6.5200 -5.7674 -5.7674 -5.7664 -5.7664 -4.7518 -4.7518 -4.7516 -4.7516 -2.7280 -2.7280 -2.7275 -2.7275 -2.3024 -2.3024 -2.3006 -2.3006 -1.7538 -1.7538 -1.7528 -1.7528 6.0306 6.0306 6.0326 6.0326 6.3577 6.3577 6.3604 6.3604 k = 0.5000 0.4731 0.2388 ( 4156 PWs) bands (ev): -14.9345 -14.9345 -14.9345 -14.9345 -7.4651 -7.4651 -7.4649 -7.4649 -6.5379 -6.5379 -6.5370 -6.5370 -5.7727 -5.7727 -5.7718 -5.7718 -4.7509 -4.7509 -4.7507 -4.7507 -2.7232 -2.7232 -2.7227 -2.7227 -2.3060 -2.3060 -2.3042 -2.3042 -1.7666 -1.7666 -1.7657 -1.7657 6.0430 6.0430 6.0451 6.0451 6.3573 6.3573 6.3600 6.3600 k = 0.5000 0.4853 0.2388 ( 4160 PWs) bands (ev): -14.9339 -14.9339 -14.9339 -14.9339 -7.4534 -7.4534 -7.4533 -7.4533 -6.5485 -6.5485 -6.5477 -6.5477 -5.7758 -5.7758 -5.7750 -5.7750 -4.7503 -4.7503 -4.7502 -4.7502 -2.7202 -2.7202 -2.7197 -2.7197 -2.3082 -2.3082 -2.3065 -2.3065 -1.7744 -1.7744 -1.7736 -1.7736 6.0507 6.0507 6.0528 6.0528 6.3569 6.3569 6.3596 6.3596 k = 0.5000 0.4974 0.2388 ( 4160 PWs) bands (ev): -14.9337 -14.9337 -14.9337 -14.9337 -7.4495 -7.4495 -7.4493 -7.4493 -6.5521 -6.5521 -6.5514 -6.5514 -5.7768 -5.7768 -5.7761 -5.7761 -4.7501 -4.7501 -4.7500 -4.7500 -2.7192 -2.7192 -2.7187 -2.7187 -2.3089 -2.3089 -2.3072 -2.3072 -1.7770 -1.7770 -1.7762 -1.7762 6.0533 6.0533 6.0554 6.0554 6.3568 6.3568 6.3595 6.3595 k = 0.5000 0.4974 0.2388 ( 4160 PWs) bands (ev): -14.9337 -14.9337 -14.9337 -14.9337 -7.4495 -7.4495 -7.4493 -7.4493 -6.5521 -6.5521 -6.5514 -6.5514 -5.7768 -5.7768 -5.7761 -5.7761 -4.7501 -4.7501 -4.7500 -4.7500 -2.7192 -2.7192 -2.7187 -2.7187 -2.3089 -2.3089 -2.3072 -2.3072 -1.7770 -1.7770 -1.7762 -1.7762 6.0533 6.0533 6.0554 6.0554 6.3568 6.3568 6.3595 6.3595 k = 0.4881 0.4974 0.2388 ( 4156 PWs) bands (ev): -14.9340 -14.9340 -14.9340 -14.9340 -7.4524 -7.4523 -7.4522 -7.4521 -6.5495 -6.5495 -6.5489 -6.5487 -5.7756 -5.7755 -5.7749 -5.7747 -4.7506 -4.7505 -4.7505 -4.7504 -2.7198 -2.7197 -2.7194 -2.7192 -2.3085 -2.3082 -2.3067 -2.3067 -1.7752 -1.7752 -1.7744 -1.7743 6.0450 6.0459 6.0473 6.0475 6.3625 6.3628 6.3646 6.3659 k = 0.4762 0.4974 0.2388 ( 4164 PWs) bands (ev): -14.9347 -14.9347 -14.9347 -14.9347 -7.4608 -7.4606 -7.4606 -7.4605 -6.5418 -6.5417 -6.5412 -6.5409 -5.7718 -5.7718 -5.7712 -5.7709 -4.7519 -4.7518 -4.7515 -4.7515 -2.7217 -2.7215 -2.7213 -2.7210 -2.3071 -2.3065 -2.3051 -2.3051 -1.7699 -1.7697 -1.7691 -1.7689 6.0229 6.0244 6.0252 6.0256 6.3782 6.3787 6.3795 6.3818 k = 0.4643 0.4974 0.2388 ( 4172 PWs) bands (ev): -14.9358 -14.9358 -14.9358 -14.9358 -7.4745 -7.4742 -7.4742 -7.4742 -6.5293 -6.5292 -6.5288 -6.5283 -5.7656 -5.7656 -5.7652 -5.7646 -4.7539 -4.7538 -4.7534 -4.7533 -2.7246 -2.7244 -2.7242 -2.7238 -2.3046 -2.3038 -2.3026 -2.3025 -1.7610 -1.7608 -1.7603 -1.7600 5.9909 5.9928 5.9931 5.9935 6.3996 6.4003 6.4004 6.4034 k = 0.4524 0.4974 0.2388 ( 4176 PWs) bands (ev): -14.9374 -14.9374 -14.9374 -14.9374 -7.4929 -7.4926 -7.4925 -7.4925 -6.5124 -6.5123 -6.5120 -6.5113 -5.7572 -5.7572 -5.7568 -5.7560 -4.7566 -4.7565 -4.7559 -4.7559 -2.7284 -2.7281 -2.7280 -2.7275 -2.3011 -2.3001 -2.2991 -2.2990 -1.7489 -1.7486 -1.7482 -1.7478 5.9525 5.9545 5.9545 5.9549 6.4232 6.4234 6.4240 6.4269 k = 0.4405 0.4974 0.2388 ( 4168 PWs) bands (ev): -14.9394 -14.9394 -14.9394 -14.9394 -7.5154 -7.5152 -7.5150 -7.5150 -6.4916 -6.4914 -6.4913 -6.4904 -5.7466 -5.7466 -5.7463 -5.7453 -4.7598 -4.7598 -4.7591 -4.7591 -2.7328 -2.7324 -2.7324 -2.7318 -2.2967 -2.2955 -2.2947 -2.2945 -1.7337 -1.7333 -1.7331 -1.7326 5.9102 5.9119 5.9122 5.9124 6.4462 6.4464 6.4472 6.4500 k = 0.4286 0.4974 0.2388 ( 4168 PWs) bands (ev): -14.9418 -14.9418 -14.9418 -14.9418 -7.5415 -7.5412 -7.5411 -7.5410 -6.4676 -6.4673 -6.4673 -6.4663 -5.7341 -5.7340 -5.7339 -5.7327 -4.7636 -4.7636 -4.7627 -4.7627 -2.7374 -2.7371 -2.7370 -2.7365 -2.2914 -2.2902 -2.2895 -2.2892 -1.7158 -1.7153 -1.7152 -1.7147 5.8655 5.8670 5.8674 5.8675 6.4668 6.4675 6.4682 6.4709 k = 0.4167 0.4974 0.2388 ( 4164 PWs) bands (ev): -14.9446 -14.9446 -14.9446 -14.9446 -7.5704 -7.5702 -7.5701 -7.5700 -6.4408 -6.4406 -6.4405 -6.4394 -5.7199 -5.7198 -5.7198 -5.7184 -4.7678 -4.7678 -4.7668 -4.7667 -2.7421 -2.7417 -2.7417 -2.7411 -2.2853 -2.2841 -2.2836 -2.2831 -1.6955 -1.6949 -1.6949 -1.6944 5.8194 5.8208 5.8211 5.8213 6.4845 6.4855 6.4862 6.4887 k = 0.4048 0.4974 0.2388 ( 4164 PWs) bands (ev): -14.9479 -14.9479 -14.9479 -14.9479 -7.6018 -7.6015 -7.6014 -7.6013 -6.4116 -6.4115 -6.4113 -6.4103 -5.7043 -5.7042 -5.7042 -5.7027 -4.7723 -4.7723 -4.7712 -4.7711 -2.7464 -2.7461 -2.7460 -2.7454 -2.2787 -2.2774 -2.2770 -2.2765 -1.6731 -1.6725 -1.6724 -1.6720 5.7727 5.7740 5.7742 5.7745 6.4987 6.5000 6.5007 6.5030 k = 0.3929 0.4974 0.2388 ( 4148 PWs) bands (ev): -14.9514 -14.9514 -14.9514 -14.9514 -7.6349 -7.6347 -7.6345 -7.6344 -6.3806 -6.3805 -6.3802 -6.3792 -5.6876 -5.6875 -5.6874 -5.6858 -4.7770 -4.7769 -4.7756 -4.7756 -2.7501 -2.7497 -2.7497 -2.7491 -2.2715 -2.2702 -2.2700 -2.2693 -1.6489 -1.6483 -1.6481 -1.6478 5.7259 5.7270 5.7272 5.7276 6.5094 6.5109 6.5115 6.5137 k = 0.3810 0.4974 0.2388 ( 4156 PWs) bands (ev): -14.9554 -14.9554 -14.9554 -14.9554 -7.6694 -7.6692 -7.6690 -7.6689 -6.3481 -6.3480 -6.3476 -6.3466 -5.6702 -5.6699 -5.6699 -5.6681 -4.7817 -4.7816 -4.7802 -4.7801 -2.7528 -2.7525 -2.7524 -2.7518 -2.2640 -2.2627 -2.2627 -2.2619 -1.6233 -1.6227 -1.6223 -1.6222 5.6792 5.6803 5.6803 5.6808 6.5165 6.5183 6.5188 6.5208 k = 0.3690 0.4974 0.2388 ( 4160 PWs) bands (ev): -14.9596 -14.9596 -14.9596 -14.9596 -7.7050 -7.7048 -7.7046 -7.7045 -6.3144 -6.3143 -6.3138 -6.3128 -5.6523 -5.6519 -5.6519 -5.6500 -4.7862 -4.7860 -4.7845 -4.7845 -2.7543 -2.7539 -2.7539 -2.7533 -2.2562 -2.2551 -2.2551 -2.2542 -1.5965 -1.5959 -1.5955 -1.5955 5.6331 5.6340 5.6340 5.6345 6.5206 6.5226 6.5230 6.5249 k = 0.3571 0.4974 0.2388 ( 4152 PWs) bands (ev): -14.9642 -14.9642 -14.9642 -14.9642 -7.7411 -7.7409 -7.7408 -7.7406 -6.2797 -6.2797 -6.2790 -6.2781 -5.6342 -5.6336 -5.6336 -5.6316 -4.7905 -4.7902 -4.7886 -4.7885 -2.7541 -2.7539 -2.7538 -2.7532 -2.2484 -2.2474 -2.2473 -2.2463 -1.5688 -1.5683 -1.5679 -1.5677 5.5875 5.5883 5.5885 5.5888 6.5219 6.5241 6.5244 6.5261 k = 0.3452 0.4974 0.2388 ( 4164 PWs) bands (ev): -14.9690 -14.9690 -14.9690 -14.9690 -7.7777 -7.7775 -7.7773 -7.7772 -6.2444 -6.2443 -6.2435 -6.2427 -5.6162 -5.6155 -5.6154 -5.6133 -4.7943 -4.7940 -4.7922 -4.7922 -2.7523 -2.7521 -2.7520 -2.7514 -2.2406 -2.2399 -2.2396 -2.2386 -1.5406 -1.5400 -1.5398 -1.5394 5.5428 5.5433 5.5436 5.5439 6.5209 6.5232 6.5235 6.5250 k = 0.3333 0.4974 0.2388 ( 4168 PWs) bands (ev): -14.9740 -14.9740 -14.9740 -14.9740 -7.8143 -7.8142 -7.8140 -7.8139 -6.2086 -6.2085 -6.2076 -6.2068 -5.5986 -5.5976 -5.5975 -5.5954 -4.7976 -4.7971 -4.7953 -4.7953 -2.7485 -2.7484 -2.7482 -2.7476 -2.2330 -2.2325 -2.2321 -2.2311 -1.5121 -1.5115 -1.5113 -1.5108 5.4989 5.4993 5.4997 5.4999 6.5179 6.5203 6.5205 6.5219 k = 0.3214 0.4974 0.2388 ( 4172 PWs) bands (ev): -14.9793 -14.9793 -14.9793 -14.9793 -7.8508 -7.8507 -7.8505 -7.8504 -6.1726 -6.1725 -6.1715 -6.1707 -5.5815 -5.5803 -5.5802 -5.5780 -4.8001 -4.7996 -4.7978 -4.7977 -2.7426 -2.7425 -2.7423 -2.7417 -2.2258 -2.2254 -2.2250 -2.2239 -1.4835 -1.4828 -1.4827 -1.4821 5.4560 5.4563 5.4567 5.4569 6.5132 6.5158 6.5159 6.5171 k = 0.3095 0.4974 0.2388 ( 4172 PWs) bands (ev): -14.9847 -14.9847 -14.9847 -14.9847 -7.8870 -7.8869 -7.8867 -7.8866 -6.1366 -6.1364 -6.1353 -6.1347 -5.5650 -5.5637 -5.5635 -5.5612 -4.8019 -4.8013 -4.7994 -4.7992 -2.7344 -2.7344 -2.7342 -2.7336 -2.2189 -2.2188 -2.2182 -2.2172 -1.4549 -1.4543 -1.4543 -1.4535 5.4141 5.4142 5.4148 5.4149 6.5073 6.5099 6.5099 6.5110 k = 0.2976 0.4974 0.2388 ( 4180 PWs) bands (ev): -14.9903 -14.9903 -14.9903 -14.9903 -7.9228 -7.9226 -7.9225 -7.9223 -6.1009 -6.1006 -6.0993 -6.0988 -5.5494 -5.5478 -5.5475 -5.5453 -4.8028 -4.8021 -4.8002 -4.7999 -2.7240 -2.7240 -2.7237 -2.7232 -2.2127 -2.2127 -2.2121 -2.2110 -1.4267 -1.4262 -1.4261 -1.4253 5.3732 5.3733 5.3738 5.3739 6.5002 6.5029 6.5029 6.5038 k = 0.2857 0.4974 0.2388 ( 4184 PWs) bands (ev): -14.9960 -14.9960 -14.9960 -14.9960 -7.9579 -7.9577 -7.9576 -7.9575 -6.0656 -6.0653 -6.0639 -6.0635 -5.5345 -5.5327 -5.5323 -5.5301 -4.8028 -4.8020 -4.8001 -4.7997 -2.7113 -2.7112 -2.7110 -2.7104 -2.2072 -2.2071 -2.2066 -2.2054 -1.3991 -1.3986 -1.3984 -1.3976 5.3332 5.3334 5.3339 5.3340 6.4921 6.4948 6.4950 6.4956 k = 0.2738 0.4974 0.2388 ( 4188 PWs) bands (ev): -15.0018 -15.0018 -15.0018 -15.0018 -7.9922 -7.9921 -7.9919 -7.9918 -6.0311 -6.0307 -6.0292 -6.0289 -5.5204 -5.5183 -5.5179 -5.5157 -4.8017 -4.8009 -4.7990 -4.7985 -2.6963 -2.6962 -2.6960 -2.6954 -2.2025 -2.2022 -2.2017 -2.2006 -1.3721 -1.3717 -1.3714 -1.3705 5.2944 5.2947 5.2951 5.2952 6.4833 6.4860 6.4862 6.4867 k = 0.2619 0.4974 0.2388 ( 4192 PWs) bands (ev): -15.0076 -15.0076 -15.0076 -15.0076 -8.0257 -8.0256 -8.0254 -8.0253 -5.9978 -5.9972 -5.9955 -5.9955 -5.5070 -5.5046 -5.5040 -5.5020 -4.7997 -4.7989 -4.7970 -4.7963 -2.6791 -2.6789 -2.6788 -2.6782 -2.1984 -2.1980 -2.1976 -2.1965 -1.3459 -1.3456 -1.3452 -1.3443 5.2566 5.2571 5.2574 5.2575 6.4737 6.4764 6.4766 6.4770 k = 0.2500 0.4974 0.2388 ( 4200 PWs) bands (ev): -15.0135 -15.0135 -15.0135 -15.0135 -8.0582 -8.0581 -8.0579 -8.0578 -5.9658 -5.9651 -5.9634 -5.9633 -5.4941 -5.4913 -5.4907 -5.4887 -4.7967 -4.7958 -4.7940 -4.7931 -2.6599 -2.6596 -2.6595 -2.6589 -2.1951 -2.1946 -2.1943 -2.1932 -1.3207 -1.3205 -1.3201 -1.3191 5.2199 5.2205 5.2207 5.2208 6.4634 6.4662 6.4664 6.4666 k = 0.2381 0.4974 0.2388 ( 4208 PWs) bands (ev): -15.0193 -15.0193 -15.0193 -15.0193 -8.0896 -8.0896 -8.0894 -8.0893 -5.9355 -5.9348 -5.9331 -5.9327 -5.4814 -5.4783 -5.4776 -5.4758 -4.7927 -4.7918 -4.7900 -4.7890 -2.6387 -2.6385 -2.6384 -2.6377 -2.1926 -2.1919 -2.1916 -2.1906 -1.2967 -1.2965 -1.2960 -1.2951 5.1843 5.1850 5.1852 5.1853 6.4525 6.4553 6.4556 6.4556 k = 0.2262 0.4974 0.2388 ( 4204 PWs) bands (ev): -15.0250 -15.0250 -15.0250 -15.0250 -8.1199 -8.1199 -8.1197 -8.1196 -5.9072 -5.9063 -5.9048 -5.9042 -5.4689 -5.4654 -5.4646 -5.4630 -4.7878 -4.7869 -4.7851 -4.7839 -2.6160 -2.6157 -2.6157 -2.6149 -2.1906 -2.1899 -2.1896 -2.1886 -1.2738 -1.2737 -1.2732 -1.2722 5.1499 5.1507 5.1507 5.1509 6.4411 6.4439 6.4441 6.4442 k = 0.2143 0.4974 0.2388 ( 4192 PWs) bands (ev): -15.0307 -15.0307 -15.0307 -15.0307 -8.1490 -8.1489 -8.1488 -8.1487 -5.8812 -5.8802 -5.8788 -5.8779 -5.4561 -5.4523 -5.4514 -5.4501 -4.7818 -4.7810 -4.7792 -4.7779 -2.5919 -2.5917 -2.5916 -2.5908 -2.1892 -2.1884 -2.1882 -2.1872 -1.2522 -1.2522 -1.2516 -1.2506 5.1166 5.1175 5.1175 5.1177 6.4292 6.4320 6.4321 6.4323 k = 0.2024 0.4974 0.2388 ( 4184 PWs) bands (ev): -15.0363 -15.0363 -15.0363 -15.0363 -8.1768 -8.1767 -8.1766 -8.1765 -5.8578 -5.8566 -5.8554 -5.8542 -5.4431 -5.4389 -5.4380 -5.4370 -4.7750 -4.7741 -4.7724 -4.7710 -2.5670 -2.5668 -2.5668 -2.5659 -2.1881 -2.1874 -2.1871 -2.1862 -1.2321 -1.2321 -1.2315 -1.2305 5.0845 5.0854 5.0855 5.0856 6.4168 6.4196 6.4196 6.4199 k = 0.1905 0.4974 0.2388 ( 4192 PWs) bands (ev): -15.0417 -15.0417 -15.0417 -15.0417 -8.2033 -8.2032 -8.2031 -8.2030 -5.8371 -5.8357 -5.8347 -5.8333 -5.4297 -5.4252 -5.4242 -5.4235 -4.7673 -4.7665 -4.7649 -4.7633 -2.5417 -2.5415 -2.5415 -2.5405 -2.1872 -2.1865 -2.1862 -2.1854 -1.2135 -1.2134 -1.2128 -1.2119 5.0536 5.0545 5.0546 5.0546 6.4039 6.4066 6.4068 6.4070 k = 0.1786 0.4974 0.2388 ( 4192 PWs) bands (ev): -15.0470 -15.0470 -15.0470 -15.0470 -8.2284 -8.2283 -8.2282 -8.2281 -5.8191 -5.8176 -5.8168 -5.8151 -5.4159 -5.4110 -5.4100 -5.4097 -4.7587 -4.7581 -4.7565 -4.7547 -2.5166 -2.5164 -2.5164 -2.5154 -2.1861 -2.1854 -2.1851 -2.1844 -1.1965 -1.1962 -1.1957 -1.1948 5.0239 5.0248 5.0250 5.0250 6.3908 6.3933 6.3937 6.3938 k = 0.1667 0.4974 0.2388 ( 4188 PWs) bands (ev): -15.0520 -15.0520 -15.0520 -15.0520 -8.2520 -8.2520 -8.2519 -8.2518 -5.8039 -5.8021 -5.8016 -5.7997 -5.4017 -5.3965 -5.3956 -5.3956 -4.7494 -4.7488 -4.7473 -4.7454 -2.4922 -2.4921 -2.4921 -2.4909 -2.1845 -2.1838 -2.1834 -2.1829 -1.1809 -1.1806 -1.1801 -1.1792 4.9956 4.9965 4.9966 4.9967 6.3774 6.3799 6.3803 6.3804 k = 0.1548 0.4974 0.2388 ( 4196 PWs) bands (ev): -15.0568 -15.0568 -15.0568 -15.0568 -8.2742 -8.2742 -8.2741 -8.2740 -5.7912 -5.7893 -5.7890 -5.7870 -5.3873 -5.3819 -5.3814 -5.3810 -4.7394 -4.7389 -4.7375 -4.7355 -2.4693 -2.4693 -2.4693 -2.4681 -2.1818 -2.1812 -2.1807 -2.1804 -1.1669 -1.1665 -1.1661 -1.1652 4.9686 4.9695 4.9696 4.9697 6.3640 6.3663 6.3668 6.3669 k = 0.1429 0.4974 0.2388 ( 4196 PWs) bands (ev): -15.0614 -15.0614 -15.0614 -15.0614 -8.2949 -8.2949 -8.2948 -8.2947 -5.7808 -5.7788 -5.7788 -5.7766 -5.3729 -5.3674 -5.3673 -5.3666 -4.7287 -4.7284 -4.7270 -4.7250 -2.4487 -2.4487 -2.4486 -2.4474 -2.1776 -2.1771 -2.1765 -2.1763 -1.1544 -1.1540 -1.1537 -1.1527 4.9430 4.9440 4.9440 4.9442 6.3506 6.3528 6.3534 6.3535 k = 0.1310 0.4974 0.2388 ( 4200 PWs) bands (ev): -15.0657 -15.0657 -15.0657 -15.0657 -8.3141 -8.3140 -8.3140 -8.3139 -5.7726 -5.7707 -5.7704 -5.7684 -5.3589 -5.3536 -5.3533 -5.3525 -4.7176 -4.7175 -4.7161 -4.7140 -2.4311 -2.4310 -2.4308 -2.4296 -2.1714 -2.1710 -2.1704 -2.1704 -1.1435 -1.1430 -1.1427 -1.1418 4.9190 4.9200 4.9200 4.9202 6.3374 6.3395 6.3402 6.3403 k = 0.1190 0.4974 0.2388 ( 4204 PWs) bands (ev): -15.0697 -15.0697 -15.0697 -15.0697 -8.3317 -8.3316 -8.3316 -8.3315 -5.7661 -5.7645 -5.7639 -5.7620 -5.3455 -5.3405 -5.3398 -5.3391 -4.7062 -4.7062 -4.7050 -4.7028 -2.4167 -2.4166 -2.4164 -2.4152 -2.1631 -2.1628 -2.1623 -2.1621 -1.1340 -1.1335 -1.1333 -1.1324 4.8967 4.8975 4.8976 4.8978 6.3246 6.3265 6.3274 6.3274 k = 0.1071 0.4974 0.2388 ( 4204 PWs) bands (ev): -15.0734 -15.0734 -15.0734 -15.0734 -8.3476 -8.3476 -8.3475 -8.3475 -5.7612 -5.7597 -5.7589 -5.7572 -5.3328 -5.3283 -5.3271 -5.3265 -4.6949 -4.6947 -4.6937 -4.6916 -2.4059 -2.4057 -2.4055 -2.4043 -2.1526 -2.1524 -2.1520 -2.1517 -1.1259 -1.1253 -1.1252 -1.1243 4.8760 4.8768 4.8770 4.8772 6.3124 6.3142 6.3151 6.3151 k = 0.0952 0.4974 0.2388 ( 4200 PWs) bands (ev): -15.0767 -15.0767 -15.0767 -15.0767 -8.3620 -8.3619 -8.3619 -8.3618 -5.7575 -5.7562 -5.7551 -5.7536 -5.3211 -5.3171 -5.3155 -5.3150 -4.6837 -4.6834 -4.6826 -4.6805 -2.3984 -2.3981 -2.3979 -2.3968 -2.1404 -2.1403 -2.1399 -2.1396 -1.1191 -1.1185 -1.1185 -1.1176 4.8573 4.8580 4.8582 4.8584 6.3009 6.3025 6.3036 6.3036 k = 0.0833 0.4974 0.2388 ( 4192 PWs) bands (ev): -15.0797 -15.0797 -15.0797 -15.0797 -8.3746 -8.3746 -8.3746 -8.3745 -5.7547 -5.7536 -5.7523 -5.7510 -5.3107 -5.3071 -5.3051 -5.3047 -4.6729 -4.6724 -4.6719 -4.6699 -2.3937 -2.3934 -2.3931 -2.3921 -2.1271 -2.1271 -2.1268 -2.1265 -1.1135 -1.1129 -1.1129 -1.1120 4.8404 4.8411 4.8414 4.8415 6.2903 6.2918 6.2929 6.2930 k = 0.0714 0.4974 0.2388 ( 4184 PWs) bands (ev): -15.0824 -15.0824 -15.0823 -15.0823 -8.3857 -8.3857 -8.3856 -8.3856 -5.7528 -5.7518 -5.7503 -5.7492 -5.3014 -5.2983 -5.2960 -5.2957 -4.6628 -4.6622 -4.6620 -4.6599 -2.3912 -2.3908 -2.3907 -2.3897 -2.1136 -2.1136 -2.1134 -2.1131 -1.1090 -1.1085 -1.1083 -1.1076 4.8256 4.8262 4.8265 4.8267 6.2808 6.2821 6.2833 6.2834 k = 0.0595 0.4974 0.2388 ( 4180 PWs) bands (ev): -15.0846 -15.0846 -15.0846 -15.0846 -8.3950 -8.3950 -8.3950 -8.3950 -5.7514 -5.7506 -5.7489 -5.7480 -5.2935 -5.2910 -5.2883 -5.2880 -4.6536 -4.6529 -4.6529 -4.6510 -2.3903 -2.3898 -2.3897 -2.3888 -2.1007 -2.1007 -2.1006 -2.1002 -1.1055 -1.1050 -1.1047 -1.1042 4.8129 4.8133 4.8138 4.8139 6.2725 6.2736 6.2749 6.2750 k = 0.0476 0.4974 0.2388 ( 4172 PWs) bands (ev): -15.0864 -15.0864 -15.0864 -15.0864 -8.4027 -8.4027 -8.4027 -8.4026 -5.7505 -5.7498 -5.7479 -5.7472 -5.2870 -5.2850 -5.2820 -5.2817 -4.6457 -4.6452 -4.6448 -4.6433 -2.3903 -2.3898 -2.3897 -2.3889 -2.0892 -2.0891 -2.0891 -2.0888 -1.1028 -1.1024 -1.1020 -1.1016 4.8024 4.8028 4.8033 4.8034 6.2656 6.2664 6.2679 6.2679 k = 0.0357 0.4974 0.2388 ( 4172 PWs) bands (ev): -15.0879 -15.0879 -15.0879 -15.0879 -8.4087 -8.4087 -8.4087 -8.4086 -5.7499 -5.7494 -5.7473 -5.7467 -5.2819 -5.2804 -5.2770 -5.2769 -4.6393 -4.6388 -4.6382 -4.6371 -2.3907 -2.3903 -2.3901 -2.3895 -2.0795 -2.0795 -2.0794 -2.0792 -1.1008 -1.1006 -1.1001 -1.0997 4.7941 4.7944 4.7950 4.7951 6.2600 6.2607 6.2623 6.2623 k = 0.0238 0.4974 0.2388 ( 4168 PWs) bands (ev): -15.0889 -15.0889 -15.0889 -15.0889 -8.4130 -8.4130 -8.4130 -8.4129 -5.7494 -5.7491 -5.7468 -5.7465 -5.2782 -5.2772 -5.2735 -5.2734 -4.6345 -4.6342 -4.6333 -4.6326 -2.3913 -2.3910 -2.3906 -2.3902 -2.0723 -2.0723 -2.0722 -2.0720 -1.0995 -1.0993 -1.0987 -1.0985 4.7882 4.7884 4.7890 4.7891 6.2561 6.2565 6.2582 6.2582 k = 0.0119 0.4974 0.2388 ( 4164 PWs) bands (ev): -15.0895 -15.0895 -15.0895 -15.0895 -8.4155 -8.4155 -8.4155 -8.4155 -5.7492 -5.7490 -5.7466 -5.7464 -5.2759 -5.2754 -5.2714 -5.2714 -4.6315 -4.6314 -4.6302 -4.6298 -2.3917 -2.3915 -2.3910 -2.3908 -2.0679 -2.0679 -2.0677 -2.0676 -1.0987 -1.0986 -1.0979 -1.0978 4.7847 4.7848 4.7855 4.7855 6.2537 6.2539 6.2557 6.2558 k = 0.0000 0.4974 0.2388 ( 4164 PWs) bands (ev): -15.0898 -15.0898 -15.0897 -15.0897 -8.4164 -8.4164 -8.4164 -8.4164 -5.7491 -5.7491 -5.7464 -5.7464 -5.2750 -5.2750 -5.2707 -5.2707 -4.6305 -4.6305 -4.6291 -4.6291 -2.3918 -2.3918 -2.3910 -2.3910 -2.0664 -2.0664 -2.0662 -2.0662 -1.0984 -1.0984 -1.0976 -1.0976 4.7835 4.7835 4.7843 4.7843 6.2530 6.2530 6.2549 6.2549 k = 0.0000 0.4974 0.2388 ( 4164 PWs) bands (ev): -15.0898 -15.0898 -15.0897 -15.0897 -8.4164 -8.4164 -8.4164 -8.4164 -5.7491 -5.7491 -5.7464 -5.7464 -5.2750 -5.2750 -5.2707 -5.2707 -4.6305 -4.6305 -4.6291 -4.6291 -2.3918 -2.3918 -2.3910 -2.3910 -2.0664 -2.0664 -2.0662 -2.0662 -1.0984 -1.0984 -1.0976 -1.0976 4.7835 4.7835 4.7843 4.7843 6.2530 6.2530 6.2549 6.2549 k = 0.0000 0.4853 0.2388 ( 4164 PWs) bands (ev): -15.0900 -15.0900 -15.0900 -15.0900 -8.4163 -8.4163 -8.4162 -8.4162 -5.7502 -5.7502 -5.7475 -5.7475 -5.2749 -5.2749 -5.2706 -5.2706 -4.6281 -4.6281 -4.6266 -4.6266 -2.3940 -2.3940 -2.3933 -2.3933 -2.0643 -2.0643 -2.0641 -2.0641 -1.0982 -1.0982 -1.0974 -1.0974 4.7849 4.7849 4.7856 4.7856 6.2538 6.2538 6.2558 6.2558 k = 0.0000 0.4731 0.2388 ( 4160 PWs) bands (ev): -15.0909 -15.0909 -15.0909 -15.0909 -8.4159 -8.4159 -8.4159 -8.4159 -5.7534 -5.7534 -5.7508 -5.7508 -5.2748 -5.2748 -5.2705 -5.2705 -4.6210 -4.6210 -4.6192 -4.6192 -2.4005 -2.4005 -2.3997 -2.3997 -2.0583 -2.0583 -2.0580 -2.0580 -1.0976 -1.0976 -1.0968 -1.0968 4.7889 4.7889 4.7897 4.7897 6.2563 6.2563 6.2583 6.2583 k = 0.0000 0.4610 0.2388 ( 4170 PWs) bands (ev): -15.0924 -15.0924 -15.0924 -15.0924 -8.4154 -8.4154 -8.4153 -8.4153 -5.7585 -5.7585 -5.7560 -5.7560 -5.2746 -5.2746 -5.2703 -5.2703 -4.6094 -4.6094 -4.6072 -4.6072 -2.4109 -2.4109 -2.4100 -2.4100 -2.0488 -2.0488 -2.0484 -2.0484 -1.0966 -1.0966 -1.0958 -1.0958 4.7956 4.7956 4.7964 4.7964 6.2604 6.2604 6.2624 6.2624 k = 0.0000 0.4489 0.2388 ( 4176 PWs) bands (ev): -15.0944 -15.0944 -15.0944 -15.0944 -8.4146 -8.4146 -8.4145 -8.4145 -5.7651 -5.7651 -5.7628 -5.7628 -5.2746 -5.2746 -5.2702 -5.2702 -4.5934 -4.5934 -4.5908 -4.5908 -2.4243 -2.4243 -2.4235 -2.4235 -2.0364 -2.0364 -2.0360 -2.0360 -1.0953 -1.0953 -1.0944 -1.0944 4.8050 4.8050 4.8058 4.8058 6.2661 6.2661 6.2681 6.2681 k = 0.0000 0.4367 0.2388 ( 4180 PWs) bands (ev): -15.0970 -15.0970 -15.0970 -15.0970 -8.4137 -8.4137 -8.4136 -8.4136 -5.7729 -5.7729 -5.7707 -5.7707 -5.2749 -5.2749 -5.2705 -5.2705 -4.5733 -4.5733 -4.5705 -4.5705 -2.4403 -2.4403 -2.4394 -2.4394 -2.0217 -2.0217 -2.0212 -2.0212 -1.0935 -1.0935 -1.0926 -1.0926 4.8170 4.8170 4.8178 4.8178 6.2733 6.2733 6.2754 6.2754 k = 0.0000 0.4246 0.2388 ( 4174 PWs) bands (ev): -15.1001 -15.1001 -15.1001 -15.1001 -8.4127 -8.4127 -8.4126 -8.4126 -5.7813 -5.7813 -5.7792 -5.7792 -5.2755 -5.2755 -5.2711 -5.2711 -4.5496 -4.5496 -4.5465 -4.5465 -2.4580 -2.4580 -2.4570 -2.4570 -2.0052 -2.0052 -2.0047 -2.0047 -1.0914 -1.0914 -1.0905 -1.0905 4.8317 4.8317 4.8324 4.8324 6.2821 6.2821 6.2842 6.2842 k = 0.0000 0.4125 0.2388 ( 4178 PWs) bands (ev): -15.1037 -15.1037 -15.1037 -15.1037 -8.4116 -8.4116 -8.4115 -8.4115 -5.7898 -5.7898 -5.7880 -5.7880 -5.2766 -5.2766 -5.2723 -5.2723 -4.5229 -4.5229 -4.5195 -4.5195 -2.4769 -2.4769 -2.4759 -2.4759 -1.9874 -1.9874 -1.9869 -1.9869 -1.0890 -1.0890 -1.0880 -1.0880 4.8489 4.8489 4.8496 4.8496 6.2923 6.2923 6.2944 6.2944 k = 0.0000 0.4003 0.2388 ( 4178 PWs) bands (ev): -15.1078 -15.1078 -15.1078 -15.1078 -8.4106 -8.4106 -8.4104 -8.4104 -5.7980 -5.7980 -5.7964 -5.7964 -5.2782 -5.2782 -5.2741 -5.2741 -4.4935 -4.4935 -4.4900 -4.4900 -2.4966 -2.4966 -2.4955 -2.4955 -1.9687 -1.9687 -1.9681 -1.9681 -1.0862 -1.0862 -1.0852 -1.0852 4.8686 4.8686 4.8694 4.8694 6.3039 6.3039 6.3061 6.3061 k = 0.0000 0.3882 0.2388 ( 4182 PWs) bands (ev): -15.1124 -15.1124 -15.1124 -15.1124 -8.4096 -8.4096 -8.4094 -8.4094 -5.8056 -5.8056 -5.8041 -5.8041 -5.2804 -5.2804 -5.2765 -5.2765 -4.4622 -4.4622 -4.4585 -4.4585 -2.5165 -2.5165 -2.5155 -2.5155 -1.9493 -1.9493 -1.9487 -1.9487 -1.0832 -1.0832 -1.0822 -1.0822 4.8909 4.8909 4.8916 4.8916 6.3167 6.3167 6.3190 6.3190 k = 0.0000 0.3761 0.2388 ( 4176 PWs) bands (ev): -15.1174 -15.1174 -15.1174 -15.1174 -8.4087 -8.4087 -8.4085 -8.4085 -5.8120 -5.8120 -5.8107 -5.8107 -5.2832 -5.2832 -5.2794 -5.2794 -4.4294 -4.4294 -4.4257 -4.4257 -2.5364 -2.5364 -2.5353 -2.5353 -1.9294 -1.9294 -1.9288 -1.9288 -1.0797 -1.0797 -1.0787 -1.0787 4.9155 4.9155 4.9163 4.9163 6.3308 6.3308 6.3331 6.3331 k = 0.0000 0.3639 0.2388 ( 4186 PWs) bands (ev): -15.1228 -15.1228 -15.1228 -15.1228 -8.4081 -8.4081 -8.4079 -8.4079 -5.8170 -5.8170 -5.8159 -5.8159 -5.2864 -5.2864 -5.2829 -5.2829 -4.3959 -4.3959 -4.3922 -4.3922 -2.5558 -2.5558 -2.5547 -2.5547 -1.9093 -1.9093 -1.9087 -1.9087 -1.0761 -1.0761 -1.0750 -1.0750 4.9425 4.9425 4.9433 4.9433 6.3458 6.3458 6.3482 6.3482 k = 0.0000 0.3518 0.2388 ( 4190 PWs) bands (ev): -15.1286 -15.1286 -15.1286 -15.1286 -8.4077 -8.4077 -8.4075 -8.4075 -5.8203 -5.8203 -5.8194 -5.8194 -5.2901 -5.2901 -5.2868 -5.2868 -4.3622 -4.3622 -4.3585 -4.3585 -2.5745 -2.5745 -2.5734 -2.5734 -1.8891 -1.8891 -1.8885 -1.8885 -1.0720 -1.0720 -1.0710 -1.0710 4.9718 4.9718 4.9725 4.9725 6.3617 6.3617 6.3642 6.3642 k = 0.0000 0.3397 0.2388 ( 4188 PWs) bands (ev): -15.1347 -15.1347 -15.1347 -15.1347 -8.4076 -8.4076 -8.4074 -8.4074 -5.8216 -5.8216 -5.8210 -5.8210 -5.2942 -5.2942 -5.2911 -5.2911 -4.3289 -4.3289 -4.3253 -4.3253 -2.5920 -2.5920 -2.5909 -2.5909 -1.8688 -1.8688 -1.8682 -1.8682 -1.0676 -1.0676 -1.0666 -1.0666 5.0032 5.0032 5.0040 5.0040 6.3783 6.3783 6.3809 6.3809 k = 0.0000 0.3276 0.2388 ( 4184 PWs) bands (ev): -15.1411 -15.1411 -15.1411 -15.1411 -8.4079 -8.4079 -8.4077 -8.4077 -5.8209 -5.8209 -5.8205 -5.8205 -5.2984 -5.2984 -5.2956 -5.2956 -4.2967 -4.2967 -4.2931 -4.2931 -2.6080 -2.6080 -2.6070 -2.6070 -1.8486 -1.8486 -1.8481 -1.8481 -1.0628 -1.0628 -1.0618 -1.0618 5.0367 5.0367 5.0374 5.0374 6.3954 6.3954 6.3981 6.3981 k = 0.0000 0.3154 0.2388 ( 4172 PWs) bands (ev): -15.1477 -15.1477 -15.1477 -15.1477 -8.4085 -8.4085 -8.4083 -8.4083 -5.8181 -5.8181 -5.8177 -5.8177 -5.3028 -5.3028 -5.3003 -5.3003 -4.2661 -4.2661 -4.2626 -4.2626 -2.6224 -2.6224 -2.6214 -2.6214 -1.8287 -1.8287 -1.8281 -1.8281 -1.0575 -1.0575 -1.0565 -1.0565 5.0722 5.0722 5.0729 5.0729 6.4127 6.4127 6.4156 6.4156 k = 0.0000 0.3033 0.2388 ( 4166 PWs) bands (ev): -15.1546 -15.1546 -15.1545 -15.1545 -8.4096 -8.4096 -8.4094 -8.4094 -5.8131 -5.8131 -5.8127 -5.8127 -5.3072 -5.3072 -5.3049 -5.3049 -4.2376 -4.2376 -4.2344 -4.2344 -2.6347 -2.6347 -2.6338 -2.6338 -1.8091 -1.8091 -1.8086 -1.8086 -1.0516 -1.0516 -1.0506 -1.0506 5.1094 5.1094 5.1101 5.1101 6.4299 6.4299 6.4330 6.4330 k = 0.0000 0.2912 0.2388 ( 4170 PWs) bands (ev): -15.1616 -15.1616 -15.1616 -15.1616 -8.4112 -8.4112 -8.4110 -8.4110 -5.8059 -5.8059 -5.8054 -5.8054 -5.3114 -5.3114 -5.3093 -5.3093 -4.2120 -4.2120 -4.2089 -4.2089 -2.6447 -2.6447 -2.6439 -2.6439 -1.7901 -1.7901 -1.7895 -1.7895 -1.0451 -1.0451 -1.0441 -1.0441 5.1482 5.1482 5.1488 5.1488 6.4468 6.4468 6.4500 6.4500 k = 0.0000 0.2790 0.2388 ( 4170 PWs) bands (ev): -15.1687 -15.1687 -15.1687 -15.1687 -8.4133 -8.4133 -8.4130 -8.4130 -5.7967 -5.7967 -5.7958 -5.7958 -5.3153 -5.3153 -5.3134 -5.3134 -4.1896 -4.1896 -4.1866 -4.1866 -2.6522 -2.6522 -2.6515 -2.6515 -1.7717 -1.7717 -1.7710 -1.7710 -1.0379 -1.0379 -1.0368 -1.0368 5.1884 5.1884 5.1891 5.1891 6.4628 6.4628 6.4662 6.4662 k = 0.0000 0.2669 0.2388 ( 4174 PWs) bands (ev): -15.1759 -15.1759 -15.1759 -15.1759 -8.4158 -8.4158 -8.4155 -8.4155 -5.7854 -5.7854 -5.7843 -5.7843 -5.3187 -5.3187 -5.3169 -5.3169 -4.1708 -4.1708 -4.1681 -4.1681 -2.6571 -2.6571 -2.6565 -2.6565 -1.7540 -1.7540 -1.7533 -1.7533 -1.0297 -1.0297 -1.0286 -1.0286 5.2299 5.2299 5.2305 5.2305 6.4775 6.4775 6.4810 6.4810 k = 0.0000 0.2548 0.2388 ( 4170 PWs) bands (ev): -15.1831 -15.1831 -15.1831 -15.1831 -8.4187 -8.4187 -8.4185 -8.4185 -5.7723 -5.7723 -5.7709 -5.7709 -5.3213 -5.3213 -5.3195 -5.3195 -4.1560 -4.1560 -4.1535 -4.1535 -2.6591 -2.6591 -2.6587 -2.6587 -1.7373 -1.7373 -1.7366 -1.7366 -1.0205 -1.0205 -1.0194 -1.0194 5.2724 5.2724 5.2730 5.2730 6.4904 6.4904 6.4941 6.4941 k = 0.0000 0.2426 0.2388 ( 4172 PWs) bands (ev): -15.1903 -15.1903 -15.1903 -15.1903 -8.4221 -8.4221 -8.4218 -8.4218 -5.7576 -5.7576 -5.7559 -5.7559 -5.3229 -5.3229 -5.3210 -5.3210 -4.1455 -4.1455 -4.1432 -4.1432 -2.6584 -2.6584 -2.6581 -2.6581 -1.7216 -1.7216 -1.7209 -1.7209 -1.0101 -1.0101 -1.0091 -1.0091 5.3157 5.3157 5.3163 5.3163 6.5007 6.5007 6.5045 6.5045 k = 0.0000 0.2305 0.2388 ( 4180 PWs) bands (ev): -15.1975 -15.1975 -15.1975 -15.1975 -8.4258 -8.4258 -8.4256 -8.4256 -5.7418 -5.7418 -5.7397 -5.7397 -5.3233 -5.3233 -5.3212 -5.3212 -4.1394 -4.1394 -4.1373 -4.1373 -2.6549 -2.6549 -2.6547 -2.6547 -1.7072 -1.7072 -1.7064 -1.7064 -0.9986 -0.9986 -0.9975 -0.9975 5.3595 5.3595 5.3602 5.3602 6.5077 6.5077 6.5116 6.5116 k = 0.0000 0.2184 0.2388 ( 4180 PWs) bands (ev): -15.2046 -15.2046 -15.2046 -15.2046 -8.4299 -8.4299 -8.4296 -8.4296 -5.7251 -5.7251 -5.7227 -5.7227 -5.3219 -5.3219 -5.3196 -5.3196 -4.1377 -4.1377 -4.1359 -4.1359 -2.6488 -2.6488 -2.6488 -2.6488 -1.6941 -1.6941 -1.6932 -1.6932 -0.9856 -0.9856 -0.9846 -0.9846 5.4036 5.4036 5.4043 5.4043 6.5104 6.5104 6.5145 6.5145 k = 0.0000 0.2062 0.2388 ( 4184 PWs) bands (ev): -15.2115 -15.2115 -15.2115 -15.2115 -8.4342 -8.4342 -8.4340 -8.4340 -5.7080 -5.7080 -5.7053 -5.7053 -5.3185 -5.3185 -5.3158 -5.3158 -4.1404 -4.1404 -4.1389 -4.1389 -2.6405 -2.6405 -2.6403 -2.6403 -1.6824 -1.6824 -1.6815 -1.6815 -0.9713 -0.9713 -0.9703 -0.9703 5.4477 5.4477 5.4484 5.4484 6.5080 6.5080 6.5121 6.5121 k = 0.0000 0.1941 0.2388 ( 4182 PWs) bands (ev): -15.2183 -15.2183 -15.2183 -15.2183 -8.4388 -8.4388 -8.4385 -8.4385 -5.6912 -5.6912 -5.6881 -5.6881 -5.3125 -5.3125 -5.3095 -5.3095 -4.1474 -4.1474 -4.1462 -4.1462 -2.6301 -2.6301 -2.6297 -2.6297 -1.6723 -1.6723 -1.6714 -1.6714 -0.9557 -0.9557 -0.9547 -0.9547 5.4915 5.4915 5.4922 5.4922 6.4996 6.4996 6.5036 6.5036 k = 0.0000 0.1820 0.2388 ( 4192 PWs) bands (ev): -15.2249 -15.2249 -15.2248 -15.2248 -8.4435 -8.4435 -8.4433 -8.4433 -5.6750 -5.6750 -5.6717 -5.6717 -5.3036 -5.3036 -5.3002 -5.3002 -4.1586 -4.1586 -4.1575 -4.1575 -2.6179 -2.6179 -2.6173 -2.6173 -1.6637 -1.6637 -1.6628 -1.6628 -0.9388 -0.9388 -0.9378 -0.9378 5.5346 5.5346 5.5353 5.5353 6.4844 6.4844 6.4883 6.4883 k = 0.0000 0.1698 0.2388 ( 4192 PWs) bands (ev): -15.2312 -15.2312 -15.2312 -15.2312 -8.4483 -8.4483 -8.4481 -8.4481 -5.6601 -5.6601 -5.6565 -5.6565 -5.2913 -5.2913 -5.2877 -5.2877 -4.1735 -4.1735 -4.1726 -4.1726 -2.6043 -2.6043 -2.6036 -2.6036 -1.6567 -1.6567 -1.6557 -1.6557 -0.9207 -0.9207 -0.9198 -0.9198 5.5768 5.5768 5.5775 5.5775 6.4625 6.4625 6.4661 6.4661 k = 0.0000 0.1577 0.2388 ( 4190 PWs) bands (ev): -15.2372 -15.2372 -15.2372 -15.2372 -8.4531 -8.4531 -8.4529 -8.4529 -5.6468 -5.6468 -5.6430 -5.6430 -5.2755 -5.2755 -5.2717 -5.2717 -4.1918 -4.1918 -4.1912 -4.1912 -2.5897 -2.5897 -2.5888 -2.5888 -1.6511 -1.6511 -1.6502 -1.6502 -0.9016 -0.9016 -0.9008 -0.9008 5.6177 5.6177 5.6184 5.6184 6.4340 6.4340 6.4374 6.4374 k = 0.0000 0.1456 0.2388 ( 4186 PWs) bands (ev): -15.2429 -15.2429 -15.2429 -15.2429 -8.4579 -8.4579 -8.4577 -8.4577 -5.6353 -5.6353 -5.6315 -5.6315 -5.2561 -5.2561 -5.2521 -5.2521 -4.2133 -4.2133 -4.2128 -4.2128 -2.5744 -2.5744 -2.5735 -2.5735 -1.6470 -1.6470 -1.6461 -1.6461 -0.8819 -0.8819 -0.8811 -0.8811 5.6570 5.6570 5.6578 5.6578 6.4001 6.4001 6.4031 6.4031 k = 0.0000 0.1334 0.2388 ( 4186 PWs) bands (ev): -15.2483 -15.2483 -15.2483 -15.2483 -8.4626 -8.4626 -8.4624 -8.4624 -5.6259 -5.6259 -5.6220 -5.6220 -5.2332 -5.2332 -5.2292 -5.2292 -4.2374 -4.2374 -4.2370 -4.2370 -2.5589 -2.5589 -2.5579 -2.5579 -1.6442 -1.6442 -1.6433 -1.6433 -0.8617 -0.8617 -0.8609 -0.8609 5.6945 5.6945 5.6952 5.6952 6.3620 6.3620 6.3647 6.3647 k = 0.0000 0.1213 0.2388 ( 4190 PWs) bands (ev): -15.2533 -15.2533 -15.2533 -15.2533 -8.4672 -8.4672 -8.4669 -8.4669 -5.6183 -5.6183 -5.6144 -5.6144 -5.2072 -5.2072 -5.2032 -5.2032 -4.2639 -4.2639 -4.2635 -4.2635 -2.5436 -2.5436 -2.5424 -2.5424 -1.6424 -1.6424 -1.6416 -1.6416 -0.8415 -0.8415 -0.8408 -0.8408 5.7297 5.7297 5.7305 5.7305 6.3213 6.3213 6.3236 6.3236 k = 0.0000 0.1092 0.2388 ( 4190 PWs) bands (ev): -15.2579 -15.2579 -15.2579 -15.2579 -8.4714 -8.4714 -8.4712 -8.4712 -5.6124 -5.6124 -5.6086 -5.6086 -5.1787 -5.1787 -5.1747 -5.1747 -4.2923 -4.2923 -4.2918 -4.2918 -2.5286 -2.5286 -2.5274 -2.5274 -1.6417 -1.6417 -1.6409 -1.6409 -0.8216 -0.8216 -0.8209 -0.8209 5.7625 5.7625 5.7632 5.7632 6.2796 6.2796 6.2816 6.2816 k = 0.0000 0.0971 0.2388 ( 4182 PWs) bands (ev): -15.2621 -15.2621 -15.2621 -15.2621 -8.4754 -8.4754 -8.4752 -8.4752 -5.6079 -5.6079 -5.6043 -5.6043 -5.1482 -5.1482 -5.1444 -5.1444 -4.3219 -4.3219 -4.3214 -4.3214 -2.5144 -2.5144 -2.5131 -2.5131 -1.6417 -1.6417 -1.6409 -1.6409 -0.8023 -0.8023 -0.8018 -0.8018 5.7925 5.7925 5.7934 5.7934 6.2383 6.2383 6.2401 6.2401 k = 0.0000 0.0849 0.2388 ( 4174 PWs) bands (ev): -15.2659 -15.2659 -15.2659 -15.2659 -8.4790 -8.4790 -8.4789 -8.4789 -5.6046 -5.6046 -5.6012 -5.6012 -5.1167 -5.1167 -5.1130 -5.1130 -4.3522 -4.3522 -4.3516 -4.3516 -2.5012 -2.5012 -2.4999 -2.4999 -1.6423 -1.6423 -1.6415 -1.6415 -0.7842 -0.7842 -0.7837 -0.7837 5.8197 5.8197 5.8206 5.8206 6.1988 6.1988 6.2004 6.2004 k = 0.0000 0.0728 0.2388 ( 4162 PWs) bands (ev): -15.2692 -15.2692 -15.2692 -15.2692 -8.4823 -8.4823 -8.4821 -8.4821 -5.6022 -5.6022 -5.5990 -5.5990 -5.0849 -5.0849 -5.0813 -5.0813 -4.3826 -4.3826 -4.3819 -4.3819 -2.4893 -2.4893 -2.4879 -2.4879 -1.6432 -1.6432 -1.6425 -1.6425 -0.7676 -0.7676 -0.7672 -0.7672 5.8438 5.8438 5.8447 5.8447 6.1621 6.1621 6.1636 6.1636 k = 0.0000 0.0607 0.2388 ( 4158 PWs) bands (ev): -15.2720 -15.2720 -15.2720 -15.2720 -8.4851 -8.4851 -8.4849 -8.4849 -5.6006 -5.6006 -5.5975 -5.5975 -5.0539 -5.0539 -5.0505 -5.0505 -4.4120 -4.4120 -4.4113 -4.4113 -2.4788 -2.4788 -2.4774 -2.4774 -1.6444 -1.6444 -1.6437 -1.6437 -0.7529 -0.7529 -0.7525 -0.7525 5.8648 5.8648 5.8657 5.8657 6.1293 6.1293 6.1306 6.1306 k = 0.0000 0.0485 0.2388 ( 4158 PWs) bands (ev): -15.2743 -15.2743 -15.2743 -15.2743 -8.4875 -8.4875 -8.4873 -8.4873 -5.5995 -5.5995 -5.5965 -5.5965 -5.0249 -5.0249 -5.0216 -5.0216 -4.4396 -4.4396 -4.4389 -4.4389 -2.4700 -2.4700 -2.4686 -2.4686 -1.6456 -1.6456 -1.6449 -1.6449 -0.7403 -0.7403 -0.7400 -0.7400 5.8824 5.8824 5.8834 5.8834 6.1009 6.1009 6.1021 6.1021 k = 0.0000 0.0364 0.2388 ( 4158 PWs) bands (ev): -15.2761 -15.2761 -15.2761 -15.2761 -8.4893 -8.4893 -8.4892 -8.4892 -5.5988 -5.5988 -5.5959 -5.5959 -4.9995 -4.9995 -4.9963 -4.9963 -4.4637 -4.4637 -4.4631 -4.4631 -2.4630 -2.4630 -2.4616 -2.4616 -1.6467 -1.6467 -1.6460 -1.6460 -0.7302 -0.7302 -0.7300 -0.7300 5.8966 5.8966 5.8975 5.8975 6.0779 6.0779 6.0789 6.0789 k = 0.0000 0.0243 0.2388 ( 4154 PWs) bands (ev): -15.2774 -15.2774 -15.2774 -15.2774 -8.4907 -8.4907 -8.4905 -8.4905 -5.5984 -5.5984 -5.5956 -5.5956 -4.9793 -4.9793 -4.9763 -4.9763 -4.4829 -4.4829 -4.4824 -4.4824 -2.4579 -2.4579 -2.4565 -2.4565 -1.6475 -1.6475 -1.6469 -1.6469 -0.7229 -0.7229 -0.7227 -0.7227 5.9073 5.9073 5.9080 5.9080 6.0607 6.0607 6.0616 6.0616 k = 0.0000 0.0121 0.2388 ( 4154 PWs) bands (ev): -15.2782 -15.2782 -15.2782 -15.2782 -8.4915 -8.4915 -8.4913 -8.4913 -5.5981 -5.5981 -5.5954 -5.5954 -4.9662 -4.9662 -4.9632 -4.9632 -4.4954 -4.4954 -4.4949 -4.4949 -2.4548 -2.4548 -2.4534 -2.4534 -1.6481 -1.6481 -1.6475 -1.6475 -0.7184 -0.7184 -0.7182 -0.7182 5.9141 5.9141 5.9145 5.9145 6.0502 6.0502 6.0507 6.0507 k = 0.0000 0.0000 0.2388 ( 4152 PWs) bands (ev): -15.2785 -15.2785 -15.2785 -15.2785 -8.4918 -8.4918 -8.4916 -8.4916 -5.5981 -5.5981 -5.5953 -5.5953 -4.9616 -4.9616 -4.9587 -4.9587 -4.4997 -4.4997 -4.4993 -4.4993 -2.4538 -2.4538 -2.4524 -2.4524 -1.6483 -1.6483 -1.6477 -1.6477 -0.7168 -0.7168 -0.7167 -0.7167 5.9165 5.9165 5.9166 5.9166 6.0466 6.0466 6.0469 6.0469 k = 0.0000 0.4974-0.0000 ( 4200 PWs) bands (ev): -15.1421 -15.1421 -15.0357 -15.0357 -8.7820 -8.7820 -7.7943 -7.7943 -6.3758 -6.3758 -6.0955 -6.0955 -5.1072 -5.1072 -4.8838 -4.8838 -4.5759 -4.5759 -4.0648 -4.0648 -3.3886 -3.3886 -2.3379 -2.3379 -1.9222 -1.9222 -1.4847 -1.4847 -1.1817 -1.1817 -1.1334 -1.1334 3.7496 3.7496 5.9954 5.9954 6.0329 6.0329 6.4784 6.4784 k = 0.0000 0.4974 0.0119 ( 4198 PWs) bands (ev): -15.1420 -15.1420 -15.0359 -15.0359 -8.7811 -8.7811 -7.7974 -7.7974 -6.3721 -6.3720 -6.0942 -6.0941 -5.1078 -5.1076 -4.8835 -4.8833 -4.5807 -4.5806 -4.0670 -4.0670 -3.3833 -3.3833 -2.3375 -2.3375 -1.9230 -1.9229 -1.4875 -1.4873 -1.1809 -1.1807 -1.1332 -1.1331 3.7527 3.7527 5.9878 5.9889 6.0360 6.0371 6.4777 6.4778 k = 0.0000 0.4974 0.0239 ( 4202 PWs) bands (ev): -15.1415 -15.1415 -15.0364 -15.0364 -8.7782 -8.7782 -7.8065 -7.8065 -6.3609 -6.3607 -6.0904 -6.0903 -5.1093 -5.1091 -4.8824 -4.8821 -4.5946 -4.5945 -4.0737 -4.0736 -3.3678 -3.3676 -2.3364 -2.3364 -1.9251 -1.9251 -1.4957 -1.4954 -1.1787 -1.1783 -1.1324 -1.1323 3.7619 3.7620 5.9702 5.9717 6.0429 6.0445 6.4757 6.4760 k = 0.0000 0.4974 0.0358 ( 4198 PWs) bands (ev): -15.1407 -15.1407 -15.0373 -15.0373 -8.7734 -8.7734 -7.8213 -7.8213 -6.3426 -6.3424 -6.0840 -6.0839 -5.1118 -5.1115 -4.8806 -4.8801 -4.6167 -4.6165 -4.0846 -4.0844 -3.3426 -3.3423 -2.3345 -2.3345 -1.9286 -1.9286 -1.5091 -1.5086 -1.1751 -1.1746 -1.1311 -1.1310 3.7774 3.7775 5.9457 5.9473 6.0505 6.0522 6.4724 6.4728 k = 0.0000 0.4974 0.0478 ( 4194 PWs) bands (ev): -15.1396 -15.1396 -15.0384 -15.0384 -8.7667 -8.7667 -7.8413 -7.8413 -6.3178 -6.3175 -6.0751 -6.0749 -5.1154 -5.1149 -4.8782 -4.8774 -4.6460 -4.6457 -4.0996 -4.0994 -3.3089 -3.3085 -2.3319 -2.3318 -1.9334 -1.9334 -1.5273 -1.5268 -1.1704 -1.1697 -1.1294 -1.1292 3.7989 3.7991 5.9148 5.9164 6.0578 6.0597 6.4679 6.4684 k = 0.0000 0.4974 0.0597 ( 4196 PWs) bands (ev): -15.1382 -15.1382 -15.0399 -15.0399 -8.7581 -8.7581 -7.8659 -7.8658 -6.2872 -6.2869 -6.0638 -6.0635 -5.1200 -5.1194 -4.8754 -4.8741 -4.6811 -4.6804 -4.1186 -4.1184 -3.2680 -3.2676 -2.3285 -2.3284 -1.9395 -1.9394 -1.5500 -1.5494 -1.1649 -1.1642 -1.1273 -1.1270 3.8264 3.8266 5.8776 5.8791 6.0652 6.0670 6.4620 6.4626 k = 0.0000 0.4974 0.0717 ( 4192 PWs) bands (ev): -15.1365 -15.1365 -15.0417 -15.0417 -8.7477 -8.7476 -7.8944 -7.8943 -6.2516 -6.2512 -6.0501 -6.0497 -5.1256 -5.1249 -4.8726 -4.8707 -4.7201 -4.7188 -4.1414 -4.1411 -3.2210 -3.2206 -2.3245 -2.3244 -1.9467 -1.9466 -1.5768 -1.5761 -1.1589 -1.1582 -1.1248 -1.1245 3.8596 3.8599 5.8339 5.8355 6.0728 6.0747 6.4548 6.4556 k = 0.0000 0.4974 0.0836 ( 4192 PWs) bands (ev): -15.1345 -15.1345 -15.0438 -15.0438 -8.7353 -8.7353 -7.9261 -7.9260 -6.2119 -6.2114 -6.0340 -6.0335 -5.1324 -5.1315 -4.8714 -4.8682 -4.7608 -4.7584 -4.1676 -4.1672 -3.1693 -3.1687 -2.3199 -2.3198 -1.9550 -1.9549 -1.6073 -1.6066 -1.1527 -1.1519 -1.1221 -1.1218 3.8984 3.8987 5.7841 5.7856 6.0808 6.0827 6.4464 6.4473 k = 0.0000 0.4974 0.0955 ( 4180 PWs) bands (ev): -15.1323 -15.1322 -15.0462 -15.0462 -8.7211 -8.7211 -7.9603 -7.9603 -6.1689 -6.1683 -6.0156 -6.0151 -5.1403 -5.1392 -4.8763 -4.8710 -4.7977 -4.7933 -4.1969 -4.1965 -3.1136 -3.1130 -2.3148 -2.3147 -1.9641 -1.9640 -1.6411 -1.6404 -1.1464 -1.1456 -1.1192 -1.1188 3.9426 3.9429 5.7284 5.7298 6.0895 6.0914 6.4367 6.4377 k = 0.0000 0.4974 0.1075 ( 4184 PWs) bands (ev): -15.1297 -15.1297 -15.0488 -15.0488 -8.7050 -8.7050 -7.9966 -7.9966 -6.1235 -6.1228 -5.9952 -5.9946 -5.1493 -5.1481 -4.8974 -4.8910 -4.8179 -4.8125 -4.2290 -4.2285 -3.0550 -3.0544 -2.3094 -2.3092 -1.9741 -1.9740 -1.6780 -1.6772 -1.1402 -1.1393 -1.1162 -1.1158 3.9918 3.9922 5.6670 5.6683 6.0988 6.1007 6.4258 6.4269 k = 0.0000 0.4974 0.1194 ( 4180 PWs) bands (ev): -15.1270 -15.1270 -15.0517 -15.0517 -8.6872 -8.6871 -8.0344 -8.0344 -6.0764 -6.0756 -5.9729 -5.9722 -5.1596 -5.1582 -4.9352 -4.9299 -4.8188 -4.8145 -4.2634 -4.2629 -2.9941 -2.9934 -2.3037 -2.3035 -1.9847 -1.9846 -1.7175 -1.7167 -1.1342 -1.1333 -1.1132 -1.1127 4.0459 4.0463 5.6005 5.6018 6.1089 6.1109 6.4137 6.4149 k = 0.0000 0.4974 0.1314 ( 4190 PWs) bands (ev): -15.1240 -15.1240 -15.0549 -15.0549 -8.6675 -8.6675 -8.0732 -8.0731 -6.0287 -6.0277 -5.9488 -5.9480 -5.1710 -5.1694 -4.9801 -4.9755 -4.8115 -4.8082 -4.2997 -4.2991 -2.9316 -2.9310 -2.2980 -2.2978 -1.9958 -1.9956 -1.7593 -1.7585 -1.1285 -1.1276 -1.1103 -1.1098 4.1045 4.1050 5.5294 5.5307 6.1198 6.1218 6.4005 6.4019 k = 0.0000 0.4974 0.1433 ( 4188 PWs) bands (ev): -15.1207 -15.1207 -15.0582 -15.0582 -8.6461 -8.6461 -8.1125 -8.1125 -5.9811 -5.9800 -5.9233 -5.9223 -5.1836 -5.1818 -5.0267 -5.0226 -4.8006 -4.7979 -4.3374 -4.3367 -2.8681 -2.8674 -2.2927 -2.2925 -2.0071 -2.0070 -1.8028 -1.8021 -1.1232 -1.1223 -1.1076 -1.1070 4.1674 4.1679 5.4545 5.4556 6.1317 6.1337 6.3864 6.3878 k = 0.0000 0.4974 0.1552 ( 4188 PWs) bands (ev): -15.1173 -15.1173 -15.0618 -15.0617 -8.6229 -8.6229 -8.1522 -8.1521 -5.9346 -5.9333 -5.8967 -5.8956 -5.1973 -5.1952 -5.0730 -5.0691 -4.7872 -4.7848 -4.3760 -4.3752 -2.8040 -2.8033 -2.2882 -2.2879 -2.0185 -2.0184 -1.8474 -1.8467 -1.1183 -1.1173 -1.1050 -1.1044 4.2342 4.2347 5.3761 5.3772 6.1443 6.1464 6.3714 6.3729 k = 0.0000 0.4974 0.1672 ( 4188 PWs) bands (ev): -15.1137 -15.1137 -15.0655 -15.0654 -8.5981 -8.5981 -8.1918 -8.1917 -5.8904 -5.8889 -5.8695 -5.8682 -5.2118 -5.2095 -5.1175 -5.1136 -4.7716 -4.7695 -4.4150 -4.4141 -2.7399 -2.7392 -2.2853 -2.2849 -2.0298 -2.0296 -1.8922 -1.8916 -1.1138 -1.1129 -1.1028 -1.1021 4.3046 4.3052 5.2950 5.2961 6.1578 6.1599 6.3556 6.3572 k = 0.0000 0.4974 0.1791 ( 4184 PWs) bands (ev): -15.1100 -15.1100 -15.0693 -15.0693 -8.5716 -8.5716 -8.2310 -8.2310 -5.8496 -5.8479 -5.8422 -5.8406 -5.2268 -5.2242 -5.1590 -5.1550 -4.7538 -4.7519 -4.4539 -4.4529 -2.6763 -2.6755 -2.2850 -2.2846 -2.0405 -2.0404 -1.9360 -1.9353 -1.1099 -1.1089 -1.1009 -1.1002 4.3784 4.3789 5.2118 5.2128 6.1721 6.1742 6.3392 6.3409 k = 0.0000 0.4974 0.1911 ( 4190 PWs) bands (ev): -15.1061 -15.1061 -15.0733 -15.0732 -8.5435 -8.5435 -8.2699 -8.2698 -5.8164 -5.8147 -5.8132 -5.8112 -5.2418 -5.2388 -5.1962 -5.1921 -4.7339 -4.7320 -4.4922 -4.4911 -2.6137 -2.6129 -2.2892 -2.2888 -2.0505 -2.0503 -1.9768 -1.9762 -1.1065 -1.1056 -1.0994 -1.0987 4.4550 4.4556 5.1271 5.1280 6.1871 6.1891 6.3223 6.3240 k = 0.0000 0.4974 0.2030 ( 4186 PWs) bands (ev): -15.1021 -15.1021 -15.0773 -15.0773 -8.5139 -8.5139 -8.3079 -8.3079 -5.7920 -5.7900 -5.7840 -5.7817 -5.2556 -5.2523 -5.2277 -5.2234 -4.7116 -4.7099 -4.5293 -4.5282 -2.5529 -2.5521 -2.3002 -2.2996 -2.0590 -2.0588 -2.0122 -2.0117 -1.1036 -1.1027 -1.0984 -1.0977 4.5342 4.5349 5.0414 5.0423 6.2028 6.2048 6.3051 6.3069 k = 0.0000 0.4974 0.2150 ( 4182 PWs) bands (ev): -15.0981 -15.0981 -15.0814 -15.0814 -8.4828 -8.4828 -8.3451 -8.3451 -5.7714 -5.7691 -5.7628 -5.7603 -5.2670 -5.2634 -5.2519 -5.2476 -4.6870 -4.6854 -4.5650 -4.5637 -2.4947 -2.4939 -2.3204 -2.3197 -2.0653 -2.0651 -2.0396 -2.0392 -1.1013 -1.1004 -1.0979 -1.0971 4.6156 4.6163 4.9552 4.9561 6.2191 6.2211 6.2877 6.2896 k = 0.0000 0.4974 0.2269 ( 4168 PWs) bands (ev): -15.0939 -15.0939 -15.0856 -15.0856 -8.4502 -8.4502 -8.3813 -8.3813 -5.7564 -5.7539 -5.7510 -5.7483 -5.2741 -5.2701 -5.2678 -5.2635 -4.6599 -4.6584 -4.5988 -4.5975 -2.4404 -2.4396 -2.3511 -2.3504 -2.0683 -2.0681 -2.0575 -2.0572 -1.0996 -1.0987 -1.0979 -1.0971 4.6989 4.6996 4.8691 4.8699 6.2359 6.2379 6.2703 6.2722 k = 0.0000 0.4974 0.2388 ( 4164 PWs) bands (ev): -15.0898 -15.0898 -15.0897 -15.0897 -8.4164 -8.4164 -8.4164 -8.4164 -5.7491 -5.7491 -5.7464 -5.7464 -5.2750 -5.2750 -5.2707 -5.2707 -4.6305 -4.6305 -4.6291 -4.6291 -2.3918 -2.3918 -2.3910 -2.3910 -2.0664 -2.0664 -2.0662 -2.0662 -1.0984 -1.0984 -1.0976 -1.0976 4.7835 4.7835 4.7843 4.7843 6.2530 6.2530 6.2549 6.2549 k = 0.5000-0.0000 0.2388 ( 4168 PWs) bands (ev): -15.0605 -15.0605 -15.0605 -15.0605 -8.5667 -8.5667 -8.5665 -8.5665 -5.9965 -5.9965 -5.9935 -5.9935 -5.1967 -5.1967 -5.1928 -5.1928 -4.4770 -4.4770 -4.4764 -4.4764 -2.7358 -2.7358 -2.7333 -2.7333 -1.4131 -1.4131 -1.4122 -1.4122 -0.7703 -0.7703 -0.7699 -0.7699 4.9728 4.9728 4.9732 4.9732 6.1148 6.1148 6.1168 6.1168 k = 0.5000-0.0000 0.2269 ( 4164 PWs) bands (ev): -15.0645 -15.0645 -15.0564 -15.0564 -8.6030 -8.6028 -8.5289 -8.5288 -6.0484 -6.0454 -5.9443 -5.9413 -5.2617 -5.2580 -5.1313 -5.1273 -4.4852 -4.4846 -4.4695 -4.4690 -2.7794 -2.7769 -2.6929 -2.6905 -1.4158 -1.4149 -1.4091 -1.4082 -0.7740 -0.7736 -0.7679 -0.7675 4.9209 4.9213 5.0246 5.0251 6.1002 6.1020 6.1263 6.1283 k = 0.5000-0.0000 0.2150 ( 4172 PWs) bands (ev): -15.0685 -15.0685 -15.0524 -15.0524 -8.6377 -8.6376 -8.4898 -8.4896 -6.1000 -6.0971 -5.8920 -5.8889 -5.3260 -5.3223 -5.0660 -5.0618 -4.4942 -4.4936 -4.4629 -4.4624 -2.8238 -2.8212 -2.6511 -2.6488 -1.4172 -1.4163 -1.4037 -1.4029 -0.7790 -0.7785 -0.7670 -0.7666 4.8693 4.8697 5.0761 5.0766 6.0826 6.0844 6.1341 6.1362 k = 0.5000-0.0000 0.2030 ( 4186 PWs) bands (ev): -15.0724 -15.0724 -15.0485 -15.0484 -8.6709 -8.6708 -8.4494 -8.4492 -6.1515 -6.1486 -5.8394 -5.8364 -5.3891 -5.3855 -5.0012 -4.9968 -4.5039 -4.5034 -4.4570 -4.4565 -2.8687 -2.8660 -2.6104 -2.6082 -1.4175 -1.4166 -1.3968 -1.3961 -0.7851 -0.7846 -0.7677 -0.7673 4.8183 4.8187 5.1269 5.1273 6.0627 6.0643 6.1384 6.1405 k = 0.5000-0.0000 0.1911 ( 4188 PWs) bands (ev): -15.0763 -15.0763 -15.0445 -15.0445 -8.7024 -8.7023 -8.4079 -8.4076 -6.2028 -6.2000 -5.7867 -5.7836 -5.4505 -5.4472 -4.9374 -4.9329 -4.5142 -4.5138 -4.4517 -4.4512 -2.9139 -2.9111 -2.5710 -2.5689 -1.4167 -1.4157 -1.3885 -1.3878 -0.7922 -0.7917 -0.7699 -0.7696 4.7684 4.7688 5.1765 5.1770 6.0410 6.0425 6.1394 6.1414 k = 0.5000-0.0000 0.1791 ( 4192 PWs) bands (ev): -15.0800 -15.0800 -15.0407 -15.0407 -8.7322 -8.7321 -8.3653 -8.3651 -6.2540 -6.2512 -5.7338 -5.7307 -5.5100 -5.5068 -4.8755 -4.8707 -4.5248 -4.5244 -4.4470 -4.4466 -2.9593 -2.9564 -2.5331 -2.5311 -1.4149 -1.4139 -1.3787 -1.3780 -0.8001 -0.7996 -0.7739 -0.7735 4.7198 4.7202 5.2248 5.2252 6.0182 6.0195 6.1372 6.1392 k = 0.5000-0.0000 0.1672 ( 4184 PWs) bands (ev): -15.0837 -15.0837 -15.0370 -15.0370 -8.7603 -8.7602 -8.3218 -8.3216 -6.3049 -6.3022 -5.6808 -5.6777 -5.5671 -5.5640 -4.8165 -4.8115 -4.5348 -4.5346 -4.4429 -4.4426 -3.0047 -3.0017 -2.4967 -2.4948 -1.4122 -1.4112 -1.3673 -1.3667 -0.8088 -0.8082 -0.7795 -0.7792 4.6728 4.6732 5.2713 5.2717 5.9948 5.9960 6.1324 6.1343 k = 0.5000-0.0000 0.1552 ( 4182 PWs) bands (ev): -15.0871 -15.0871 -15.0334 -15.0334 -8.7865 -8.7864 -8.2777 -8.2774 -6.3557 -6.3531 -5.6278 -5.6249 -5.6212 -5.6186 -4.7627 -4.7573 -4.5424 -4.5424 -4.4394 -4.4390 -3.0499 -3.0469 -2.4621 -2.4603 -1.4087 -1.4078 -1.3545 -1.3539 -0.8180 -0.8174 -0.7868 -0.7866 4.6277 4.6281 5.3157 5.3161 5.9714 5.9725 6.1255 6.1273 k = 0.5000-0.0000 0.1433 ( 4186 PWs) bands (ev): -15.0904 -15.0904 -15.0300 -15.0300 -8.8109 -8.8108 -8.2331 -8.2328 -6.4062 -6.4037 -5.6728 -5.6701 -5.5749 -5.5717 -4.7186 -4.7129 -4.5438 -4.5437 -4.4363 -4.4360 -3.0946 -3.0915 -2.4293 -2.4277 -1.4046 -1.4037 -1.3402 -1.3397 -0.8276 -0.8270 -0.7959 -0.7957 4.5848 4.5851 5.3578 5.3582 5.9484 5.9494 6.1169 6.1186 k = 0.5000-0.0000 0.1314 ( 4188 PWs) bands (ev): -15.0935 -15.0935 -15.0268 -15.0268 -8.8335 -8.8334 -8.1883 -8.1881 -6.4563 -6.4540 -5.7208 -5.7182 -5.5221 -5.5190 -4.6914 -4.6859 -4.5315 -4.5314 -4.4336 -4.4334 -3.1387 -3.1356 -2.3986 -2.3971 -1.4000 -1.3991 -1.3245 -1.3240 -0.8374 -0.8369 -0.8067 -0.8065 4.5443 4.5446 5.3972 5.3975 5.9264 5.9272 6.1072 6.1088 k = 0.5000-0.0000 0.1194 ( 4180 PWs) bands (ev): -15.0964 -15.0964 -15.0238 -15.0238 -8.8542 -8.8541 -8.1437 -8.1435 -6.5058 -6.5036 -5.7650 -5.7627 -5.4697 -5.4666 -4.6850 -4.6802 -4.5024 -4.5015 -4.4312 -4.4311 -3.1818 -3.1787 -2.3700 -2.3686 -1.3950 -1.3941 -1.3075 -1.3071 -0.8473 -0.8468 -0.8191 -0.8189 4.5065 4.5068 5.4337 5.4340 5.9057 5.9064 6.0969 6.0984 k = 0.5000-0.0000 0.1075 ( 4172 PWs) bands (ev): -15.0991 -15.0991 -15.0210 -15.0210 -8.8729 -8.8729 -8.0997 -8.0994 -6.5543 -6.5522 -5.8054 -5.8033 -5.4177 -5.4145 -4.6939 -4.6898 -4.4626 -4.4608 -4.4291 -4.4291 -3.2237 -3.2206 -2.3437 -2.3424 -1.3898 -1.3889 -1.2893 -1.2889 -0.8571 -0.8566 -0.8330 -0.8328 4.4716 4.4718 5.4671 5.4675 5.8864 5.8870 6.0865 6.0878 k = 0.5000-0.0000 0.0955 ( 4172 PWs) bands (ev): -15.1015 -15.1015 -15.0184 -15.0184 -8.8898 -8.8898 -8.0567 -8.0564 -6.6014 -6.5995 -5.8418 -5.8399 -5.3663 -5.3631 -4.7115 -4.7078 -4.4288 -4.4276 -4.4173 -4.4164 -3.2639 -3.2610 -2.3198 -2.3186 -1.3845 -1.3836 -1.2702 -1.2698 -0.8665 -0.8661 -0.8483 -0.8481 4.4398 4.4400 5.4973 5.4976 5.8689 5.8694 6.0762 6.0773 k = 0.5000-0.0000 0.0836 ( 4176 PWs) bands (ev): -15.1037 -15.1037 -15.0161 -15.0161 -8.9047 -8.9047 -8.0154 -8.0151 -6.6465 -6.6449 -5.8740 -5.8723 -5.3156 -5.3125 -4.7341 -4.7307 -4.4266 -4.4262 -4.3743 -4.3724 -3.3022 -3.2994 -2.2984 -2.2974 -1.3792 -1.3785 -1.2503 -1.2500 -0.8755 -0.8751 -0.8647 -0.8646 4.4113 4.4115 5.5241 5.5243 5.8532 5.8536 6.0664 6.0674 k = 0.5000-0.0000 0.0717 ( 4188 PWs) bands (ev): -15.1056 -15.1056 -15.0141 -15.0141 -8.9177 -8.9177 -7.9765 -7.9762 -6.6889 -6.6874 -5.9019 -5.9005 -5.2660 -5.2629 -4.7604 -4.7571 -4.4253 -4.4251 -4.3327 -4.3307 -3.3379 -3.3352 -2.2796 -2.2787 -1.3742 -1.3736 -1.2300 -1.2297 -0.8839 -0.8835 -0.8820 -0.8819 4.3862 4.3864 5.5473 5.5476 5.8395 5.8399 6.0574 6.0583 k = 0.5000-0.0000 0.0597 ( 4196 PWs) bands (ev): -15.1073 -15.1073 -15.0124 -15.0124 -8.9287 -8.9287 -7.9408 -7.9405 -6.7276 -6.7264 -5.9256 -5.9244 -5.2175 -5.2144 -4.7893 -4.7861 -4.4244 -4.4242 -4.2946 -4.2927 -3.3703 -3.3679 -2.2635 -2.2628 -1.3696 -1.3691 -1.2097 -1.2094 -0.8998 -0.8997 -0.8913 -0.8910 4.3647 4.3649 5.5671 5.5673 5.8279 5.8282 6.0495 6.0502 k = 0.5000-0.0000 0.0478 ( 4192 PWs) bands (ev): -15.1087 -15.1087 -15.0109 -15.0109 -8.9377 -8.9377 -7.9093 -7.9090 -6.7616 -6.7606 -5.9448 -5.9439 -5.1706 -5.1676 -4.8202 -4.8171 -4.4237 -4.4235 -4.2612 -4.2594 -3.3986 -3.3965 -2.2503 -2.2497 -1.3656 -1.3651 -1.1900 -1.1898 -0.9173 -0.9172 -0.8977 -0.8974 4.3470 4.3471 5.5833 5.5835 5.8185 5.8187 6.0427 6.0433 k = 0.5000-0.0000 0.0358 ( 4192 PWs) bands (ev): -15.1097 -15.1097 -15.0098 -15.0098 -8.9447 -8.9447 -7.8831 -7.8829 -6.7897 -6.7890 -5.9598 -5.9591 -5.1259 -5.1230 -4.8524 -4.8494 -4.4231 -4.4230 -4.2335 -4.2320 -3.4221 -3.4204 -2.2399 -2.2394 -1.3622 -1.3619 -1.1719 -1.1717 -0.9336 -0.9336 -0.9028 -0.9026 4.3331 4.3332 5.5959 5.5960 5.8111 5.8112 6.0374 6.0378 k = 0.5000-0.0000 0.0239 ( 4188 PWs) bands (ev): -15.1105 -15.1105 -15.0090 -15.0090 -8.9497 -8.9497 -7.8634 -7.8632 -6.8109 -6.8103 -5.9705 -5.9700 -5.0847 -5.0820 -4.8845 -4.8818 -4.4227 -4.4226 -4.2126 -4.2116 -3.4396 -3.4384 -2.2323 -2.2320 -1.3597 -1.3595 -1.1567 -1.1566 -0.9476 -0.9475 -0.9066 -0.9065 4.3231 4.3232 5.6049 5.6050 5.8058 5.8059 6.0335 6.0338 k = 0.5000-0.0000 0.0119 ( 4196 PWs) bands (ev): -15.1109 -15.1109 -15.0085 -15.0085 -8.9527 -8.9527 -7.8511 -7.8510 -6.8240 -6.8237 -5.9769 -5.9766 -5.0506 -5.0486 -4.9126 -4.9107 -4.4225 -4.4224 -4.1995 -4.1990 -3.4505 -3.4499 -2.2278 -2.2276 -1.3582 -1.3580 -1.1463 -1.1462 -0.9572 -0.9572 -0.9089 -0.9088 4.3171 4.3171 5.6104 5.6104 5.8026 5.8026 6.0311 6.0313 k = 0.5000-0.0000-0.0000 ( 4196 PWs) bands (ev): -15.1111 -15.1111 -15.0083 -15.0083 -8.9537 -8.9537 -7.8469 -7.8469 -6.8283 -6.8283 -5.9789 -5.9789 -5.0345 -5.0345 -4.9250 -4.9250 -4.4224 -4.4224 -4.1949 -4.1949 -3.4539 -3.4539 -2.2262 -2.2262 -1.3576 -1.3576 -1.1425 -1.1425 -0.9607 -0.9607 -0.9096 -0.9096 4.3151 4.3151 5.6122 5.6122 5.8016 5.8016 6.0304 6.0304 k = 0.5000 0.4974-0.0000 ( 4184 PWs) bands (ev): -14.9717 -14.9717 -14.8950 -14.8950 -7.7422 -7.7422 -7.0994 -7.0994 -6.6916 -6.6916 -6.4120 -6.4120 -5.9239 -5.9239 -5.4176 -5.4176 -4.8568 -4.8568 -4.7944 -4.7944 -3.4290 -3.4290 -2.8562 -2.8562 -2.3772 -2.3772 -2.2021 -2.2021 -1.5441 -1.5441 -1.0654 -1.0654 5.2186 5.2186 5.9130 5.9130 6.0352 6.0352 6.4147 6.4147 k = 0.5000 0.4974 0.0119 ( 4200 PWs) bands (ev): -14.9716 -14.9716 -14.8951 -14.8951 -7.7414 -7.7414 -7.1005 -7.1004 -6.6916 -6.6915 -6.4122 -6.4121 -5.9240 -5.9239 -5.4191 -5.4190 -4.8562 -4.8562 -4.7942 -4.7942 -3.4262 -3.4262 -2.8544 -2.8544 -2.3767 -2.3766 -2.2035 -2.2034 -1.5458 -1.5457 -1.0684 -1.0683 5.2212 5.2212 5.9166 5.9168 6.0362 6.0363 6.4147 6.4150 k = 0.5000 0.4974 0.0239 ( 4204 PWs) bands (ev): -14.9712 -14.9712 -14.8955 -14.8955 -7.7390 -7.7390 -7.1037 -7.1036 -6.6912 -6.6911 -6.4128 -6.4127 -5.9241 -5.9240 -5.4232 -5.4231 -4.8546 -4.8545 -4.7934 -4.7933 -3.4180 -3.4179 -2.8490 -2.8489 -2.3751 -2.3749 -2.2074 -2.2073 -1.5508 -1.5507 -1.0772 -1.0772 5.2290 5.2291 5.9276 5.9279 6.0394 6.0396 6.4152 6.4159 k = 0.5000 0.4974 0.0358 ( 4200 PWs) bands (ev): -14.9706 -14.9706 -14.8961 -14.8961 -7.7349 -7.7348 -7.1090 -7.1089 -6.6905 -6.6903 -6.4138 -6.4136 -5.9243 -5.9241 -5.4301 -5.4298 -4.8518 -4.8517 -4.7920 -4.7919 -3.4043 -3.4042 -2.8400 -2.8398 -2.3723 -2.3720 -2.2139 -2.2138 -1.5589 -1.5588 -1.0918 -1.0917 5.2421 5.2422 5.9455 5.9460 6.0448 6.0450 6.4162 6.4173 k = 0.5000 0.4974 0.0478 ( 4200 PWs) bands (ev): -14.9698 -14.9698 -14.8969 -14.8969 -7.7292 -7.7291 -7.1165 -7.1163 -6.6893 -6.6891 -6.4152 -6.4150 -5.9243 -5.9240 -5.4396 -5.4392 -4.8480 -4.8478 -4.7901 -4.7900 -3.3854 -3.3853 -2.8275 -2.8272 -2.3684 -2.3680 -2.2230 -2.2228 -1.5702 -1.5700 -1.1118 -1.1118 5.2603 5.2605 5.9699 5.9706 6.0523 6.0526 6.4177 6.4193 k = 0.5000 0.4974 0.0597 ( 4200 PWs) bands (ev): -14.9688 -14.9688 -14.8980 -14.8980 -7.7218 -7.7218 -7.1261 -7.1260 -6.6876 -6.6872 -6.4173 -6.4169 -5.9241 -5.9237 -5.4516 -5.4512 -4.8431 -4.8429 -4.7877 -4.7876 -3.3618 -3.3616 -2.8117 -2.8114 -2.3632 -2.3627 -2.2345 -2.2342 -1.5845 -1.5843 -1.1371 -1.1371 5.2836 5.2838 5.9999 6.0008 6.0617 6.0621 6.4200 6.4221 k = 0.5000 0.4974 0.0717 ( 4188 PWs) bands (ev): -14.9676 -14.9676 -14.8992 -14.8992 -7.7129 -7.7129 -7.1379 -7.1377 -6.6851 -6.6847 -6.4199 -6.4195 -5.9234 -5.9230 -5.4659 -5.4654 -4.8372 -4.8370 -4.7849 -4.7847 -3.3335 -3.3334 -2.7928 -2.7923 -2.3568 -2.3562 -2.2484 -2.2481 -1.6015 -1.6012 -1.1673 -1.1672 5.3117 5.3121 6.0344 6.0356 6.0731 6.0735 6.4233 6.4258 k = 0.5000 0.4974 0.0836 ( 4180 PWs) bands (ev): -14.9661 -14.9661 -14.9007 -14.9007 -7.7025 -7.7025 -7.1517 -7.1515 -6.6817 -6.6812 -6.4234 -6.4229 -5.9220 -5.9215 -5.4823 -5.4818 -4.8304 -4.8303 -4.7817 -4.7815 -3.3012 -3.3010 -2.7709 -2.7704 -2.3492 -2.3485 -2.2646 -2.2643 -1.6211 -1.6208 -1.2019 -1.2018 5.3447 5.3451 6.0718 6.0734 6.0863 6.0867 6.4280 6.4310 k = 0.5000 0.4974 0.0955 ( 4176 PWs) bands (ev): -14.9645 -14.9645 -14.9024 -14.9024 -7.6905 -7.6905 -7.1675 -7.1673 -6.6773 -6.6768 -6.4277 -6.4272 -5.9197 -5.9192 -5.5007 -5.5002 -4.8231 -4.8229 -4.7782 -4.7781 -3.2653 -3.2651 -2.7465 -2.7459 -2.3404 -2.3395 -2.2830 -2.2826 -1.6429 -1.6425 -1.2405 -1.2404 5.3822 5.3827 6.1006 6.1015 6.1107 6.1123 6.4345 6.4381 k = 0.5000 0.4974 0.1075 ( 4180 PWs) bands (ev): -14.9627 -14.9627 -14.9043 -14.9043 -7.6771 -7.6770 -7.1853 -7.1850 -6.6719 -6.6714 -6.4329 -6.4324 -5.9163 -5.9158 -5.5209 -5.5203 -4.8152 -4.8151 -4.7746 -4.7744 -3.2261 -3.2259 -2.7198 -2.7192 -2.3304 -2.3294 -2.3033 -2.3028 -1.6666 -1.6661 -1.2826 -1.2825 5.4241 5.4246 6.1169 6.1177 6.1475 6.1496 6.4435 6.4476 k = 0.5000 0.4974 0.1194 ( 4176 PWs) bands (ev): -14.9606 -14.9606 -14.9064 -14.9064 -7.6622 -7.6621 -7.2047 -7.2045 -6.6655 -6.6649 -6.4392 -6.4386 -5.9117 -5.9111 -5.5424 -5.5417 -4.8070 -4.8069 -4.7708 -4.7706 -3.1843 -3.1840 -2.6915 -2.6907 -2.3255 -2.3254 -2.3187 -2.3180 -1.6916 -1.6910 -1.3276 -1.3275 5.4701 5.4707 6.1344 6.1353 6.1801 6.1825 6.4555 6.4599 k = 0.5000 0.4974 0.1314 ( 4164 PWs) bands (ev): -14.9585 -14.9585 -14.9087 -14.9087 -7.6459 -7.6458 -7.2257 -7.2254 -6.6579 -6.6573 -6.4466 -6.4460 -5.9056 -5.9049 -5.5650 -5.5643 -4.7987 -4.7986 -4.7670 -4.7668 -3.1401 -3.1398 -2.6621 -2.6613 -2.3485 -2.3481 -2.3073 -2.3061 -1.7173 -1.7166 -1.3748 -1.3747 5.5200 5.5207 6.1529 6.1540 6.2059 6.2082 6.4700 6.4745 k = 0.5000 0.4974 0.1433 ( 4156 PWs) bands (ev): -14.9561 -14.9561 -14.9111 -14.9111 -7.6283 -7.6282 -7.2480 -7.2477 -6.6492 -6.6486 -6.4550 -6.4544 -5.8979 -5.8972 -5.5885 -5.5878 -4.7907 -4.7906 -4.7632 -4.7631 -3.0942 -3.0938 -2.6328 -2.6320 -2.3720 -2.3715 -2.2951 -2.2938 -1.7429 -1.7421 -1.4236 -1.4236 5.5734 5.5742 6.1725 6.1737 6.2231 6.2251 6.4849 6.4890 k = 0.5000 0.4974 0.1552 ( 4152 PWs) bands (ev): -14.9536 -14.9536 -14.9136 -14.9136 -7.6094 -7.6093 -7.2714 -7.2712 -6.6396 -6.6390 -6.4645 -6.4639 -5.8885 -5.8878 -5.6125 -5.6118 -4.7829 -4.7829 -4.7597 -4.7595 -3.0470 -3.0466 -2.6057 -2.6049 -2.3940 -2.3937 -2.2833 -2.2817 -1.7673 -1.7664 -1.4733 -1.4733 5.6298 5.6308 6.1928 6.1942 6.2314 6.2329 6.4960 6.4994 k = 0.5000 0.4974 0.1672 ( 4144 PWs) bands (ev): -14.9510 -14.9510 -14.9162 -14.9162 -7.5894 -7.5893 -7.2958 -7.2955 -6.6290 -6.6283 -6.4750 -6.4743 -5.8774 -5.8767 -5.6369 -5.6362 -4.7757 -4.7757 -4.7565 -4.7563 -2.9990 -2.9986 -2.5847 -2.5840 -2.4110 -2.4108 -2.2728 -2.2710 -1.7892 -1.7881 -1.5233 -1.5232 5.6889 5.6900 6.2139 6.2154 6.2312 6.2321 6.4992 6.5014 k = 0.5000 0.4974 0.1791 ( 4148 PWs) bands (ev): -14.9483 -14.9483 -14.9190 -14.9190 -7.5682 -7.5681 -7.3208 -7.3206 -6.6176 -6.6169 -6.4865 -6.4857 -5.8646 -5.8638 -5.6613 -5.6606 -4.7692 -4.7692 -4.7538 -4.7536 -2.9507 -2.9502 -2.5763 -2.5758 -2.4170 -2.4169 -2.2649 -2.2630 -1.8069 -1.8057 -1.5727 -1.5725 5.7500 5.7512 6.2228 6.2228 6.2356 6.2375 6.4915 6.4926 k = 0.5000 0.4974 0.1911 ( 4156 PWs) bands (ev): -14.9455 -14.9455 -14.9219 -14.9219 -7.5461 -7.5460 -7.3464 -7.3462 -6.6054 -6.6047 -6.4986 -6.4979 -5.8501 -5.8493 -5.6857 -5.6849 -4.7635 -4.7635 -4.7516 -4.7514 -2.9024 -2.9020 -2.5851 -2.5851 -2.4080 -2.4074 -2.2613 -2.2593 -1.8184 -1.8172 -1.6206 -1.6203 5.8124 5.8138 6.2058 6.2065 6.2578 6.2599 6.4732 6.4734 k = 0.5000 0.4974 0.2030 ( 4156 PWs) bands (ev): -14.9427 -14.9427 -14.9248 -14.9248 -7.5230 -7.5229 -7.3722 -7.3720 -6.5927 -6.5920 -6.5114 -6.5107 -5.8340 -5.8332 -5.7096 -5.7088 -4.7587 -4.7586 -4.7500 -4.7498 -2.8547 -2.8542 -2.6086 -2.6084 -2.3873 -2.3863 -2.2634 -2.2614 -1.8219 -1.8207 -1.6661 -1.6657 5.8752 5.8768 6.1804 6.1817 6.2807 6.2830 6.4465 6.4477 k = 0.5000 0.4974 0.2150 ( 4160 PWs) bands (ev): -14.9397 -14.9397 -14.9277 -14.9277 -7.4992 -7.4991 -7.3981 -7.3979 -6.5794 -6.5787 -6.5247 -6.5240 -5.8163 -5.8155 -5.7328 -5.7321 -4.7548 -4.7548 -4.7492 -4.7491 -2.8080 -2.8075 -2.6408 -2.6404 -2.3612 -2.3599 -2.2722 -2.2703 -1.8162 -1.8150 -1.7082 -1.7077 5.9373 5.9391 6.1462 6.1480 6.3047 6.3071 6.4162 6.4183 k = 0.5000 0.4974 0.2269 ( 4160 PWs) bands (ev): -14.9367 -14.9367 -14.9307 -14.9307 -7.4746 -7.4745 -7.4239 -7.4238 -6.5658 -6.5651 -6.5383 -6.5376 -5.7972 -5.7964 -5.7553 -5.7545 -4.7520 -4.7519 -4.7492 -4.7491 -2.7626 -2.7621 -2.6782 -2.6778 -2.3341 -2.3326 -2.2877 -2.2859 -1.8010 -1.8000 -1.7456 -1.7450 5.9972 5.9993 6.1035 6.1056 6.3299 6.3325 6.3857 6.3882 k = 0.5000 0.4974 0.2388 ( 4160 PWs) bands (ev): -14.9337 -14.9337 -14.9337 -14.9337 -7.4495 -7.4495 -7.4493 -7.4493 -6.5521 -6.5521 -6.5514 -6.5514 -5.7768 -5.7768 -5.7761 -5.7761 -4.7501 -4.7501 -4.7500 -4.7500 -2.7192 -2.7192 -2.7187 -2.7187 -2.3089 -2.3089 -2.3072 -2.3072 -1.7770 -1.7770 -1.7762 -1.7762 6.0533 6.0533 6.0554 6.0554 6.3568 6.3568 6.3595 6.3595 Writing output data file BH8N.save init_run : 0.52s CPU 0.32s WALL ( 1 calls) electrons : 252.93s CPU 144.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 252.92s CPU 144.09s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.05s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.40s WALL ( 424 calls) cegterg : 227.35s CPU 127.96s WALL ( 450 calls) Called by sum_band: Called by *egterg: h_psi : 106.24s CPU 60.96s WALL ( 8283 calls) s_psi : 4.78s CPU 2.51s WALL ( 8283 calls) g_psi : 0.36s CPU 0.21s WALL ( 7409 calls) cdiaghg : 104.36s CPU 58.30s WALL ( 7833 calls) cegterg:over : 12.47s CPU 6.67s WALL ( 7409 calls) cegterg:upda : 9.62s CPU 5.33s WALL ( 7409 calls) cegterg:last : 5.19s CPU 2.81s WALL ( 1298 calls) cdiaghg:chol : 5.30s CPU 3.09s WALL ( 7833 calls) cdiaghg:inve : 2.91s CPU 1.63s WALL ( 7833 calls) cdiaghg:para : 5.32s CPU 3.12s WALL ( 15666 calls) Called by h_psi: h_psi:vloc : 91.70s CPU 52.99s WALL ( 8283 calls) h_psi:vnl : 14.14s CPU 7.77s WALL ( 8283 calls) add_vuspsi : 5.98s CPU 3.36s WALL ( 8283 calls) General routines calbec : 8.08s CPU 4.38s WALL ( 8283 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 83.38s CPU 48.26s WALL ( 734540 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.64s CPU 0.93s WALL ( 848 calls) Parallel routines fft_scatter : 54.78s CPU 31.06s WALL ( 734563 calls) PWSCF : 4m28.62s CPU 2m54.12s WALL This run was terminated on: 1:54: 9 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=