Program PWSCF v.5.4.0 starts on 21Mar2017 at 22:19:35 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./H4CSN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 29 8 3270 1367 204 Max 53 30 9 3279 1396 211 Sum 3807 2149 599 235843 99585 14891 bravais-lattice index = 14 lattice parameter (alat) = 10.3444 a.u. unit-cell volume = 2360.8236 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.344360 celldm(2)= 1.367738 celldm(3)= 1.559372 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 1.367738 0.000000 ) a(3) = ( 0.000000 0.000000 1.559372 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.731134 -0.000000 ) b(3) = ( 0.000000 0.000000 0.641284 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0034722 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0034722 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0034722 k( 9) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0034722 k( 13) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0034722 k( 14) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0034722 k( 15) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0034722 k( 16) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0034722 k( 17) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0034722 k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0034722 k( 20) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0034722 k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0034722 k( 22) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0034722 k( 23) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0034722 k( 24) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0034722 k( 25) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0034722 k( 26) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0034722 k( 27) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0034722 k( 28) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0034722 k( 29) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0034722 k( 30) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 32) = ( 0.5000000 0.0174079 -0.0000000), wk = 0.0034722 k( 33) = ( 0.5000000 0.0348159 -0.0000000), wk = 0.0034722 k( 34) = ( 0.5000000 0.0522239 -0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.0696318 -0.0000000), wk = 0.0034722 k( 36) = ( 0.5000000 0.0870398 -0.0000000), wk = 0.0034722 k( 37) = ( 0.5000000 0.1044477 -0.0000000), wk = 0.0034722 k( 38) = ( 0.5000000 0.1218557 -0.0000000), wk = 0.0034722 k( 39) = ( 0.5000000 0.1392636 -0.0000000), wk = 0.0034722 k( 40) = ( 0.5000000 0.1566716 -0.0000000), wk = 0.0034722 k( 41) = ( 0.5000000 0.1740795 -0.0000000), wk = 0.0034722 k( 42) = ( 0.5000000 0.1914875 -0.0000000), wk = 0.0034722 k( 43) = ( 0.5000000 0.2088954 -0.0000000), wk = 0.0034722 k( 44) = ( 0.5000000 0.2263034 -0.0000000), wk = 0.0034722 k( 45) = ( 0.5000000 0.2437113 -0.0000000), wk = 0.0034722 k( 46) = ( 0.5000000 0.2611193 -0.0000000), wk = 0.0034722 k( 47) = ( 0.5000000 0.2785272 -0.0000000), wk = 0.0034722 k( 48) = ( 0.5000000 0.2959352 -0.0000000), wk = 0.0034722 k( 49) = ( 0.5000000 0.3133431 -0.0000000), wk = 0.0034722 k( 50) = ( 0.5000000 0.3307511 -0.0000000), wk = 0.0034722 k( 51) = ( 0.5000000 0.3481590 -0.0000000), wk = 0.0034722 k( 52) = ( 0.5000000 0.3655670 -0.0000000), wk = 0.0034722 k( 53) = ( 0.5000000 0.3655670 -0.0000000), wk = 0.0034722 k( 54) = ( 0.4827586 0.3655670 -0.0000000), wk = 0.0034722 k( 55) = ( 0.4655172 0.3655670 -0.0000000), wk = 0.0034722 k( 56) = ( 0.4482759 0.3655670 -0.0000000), wk = 0.0034722 k( 57) = ( 0.4310345 0.3655670 -0.0000000), wk = 0.0034722 k( 58) = ( 0.4137931 0.3655670 -0.0000000), wk = 0.0034722 k( 59) = ( 0.3965517 0.3655670 -0.0000000), wk = 0.0034722 k( 60) = ( 0.3793103 0.3655670 -0.0000000), wk = 0.0034722 k( 61) = ( 0.3620690 0.3655670 -0.0000000), wk = 0.0034722 k( 62) = ( 0.3448276 0.3655670 -0.0000000), wk = 0.0034722 k( 63) = ( 0.3275862 0.3655670 -0.0000000), wk = 0.0034722 k( 64) = ( 0.3103448 0.3655670 -0.0000000), wk = 0.0034722 k( 65) = ( 0.2931034 0.3655670 -0.0000000), wk = 0.0034722 k( 66) = ( 0.2758621 0.3655670 -0.0000000), wk = 0.0034722 k( 67) = ( 0.2586207 0.3655670 -0.0000000), wk = 0.0034722 k( 68) = ( 0.2413793 0.3655670 -0.0000000), wk = 0.0034722 k( 69) = ( 0.2241379 0.3655670 -0.0000000), wk = 0.0034722 k( 70) = ( 0.2068966 0.3655670 -0.0000000), wk = 0.0034722 k( 71) = ( 0.1896552 0.3655670 -0.0000000), wk = 0.0034722 k( 72) = ( 0.1724138 0.3655670 -0.0000000), wk = 0.0034722 k( 73) = ( 0.1551724 0.3655670 -0.0000000), wk = 0.0034722 k( 74) = ( 0.1379310 0.3655670 -0.0000000), wk = 0.0034722 k( 75) = ( 0.1206897 0.3655670 -0.0000000), wk = 0.0034722 k( 76) = ( 0.1034483 0.3655670 -0.0000000), wk = 0.0034722 k( 77) = ( 0.0862069 0.3655670 -0.0000000), wk = 0.0034722 k( 78) = ( 0.0689655 0.3655670 -0.0000000), wk = 0.0034722 k( 79) = ( 0.0517241 0.3655670 -0.0000000), wk = 0.0034722 k( 80) = ( 0.0344828 0.3655670 -0.0000000), wk = 0.0034722 k( 81) = ( 0.0172414 0.3655670 -0.0000000), wk = 0.0034722 k( 82) = ( 0.0000000 0.3655670 -0.0000000), wk = 0.0034722 k( 83) = ( 0.0000000 0.3655670 -0.0000000), wk = 0.0034722 k( 84) = ( 0.0000000 0.3481590 -0.0000000), wk = 0.0034722 k( 85) = ( 0.0000000 0.3307511 -0.0000000), wk = 0.0034722 k( 86) = ( 0.0000000 0.3133431 -0.0000000), wk = 0.0034722 k( 87) = ( 0.0000000 0.2959352 -0.0000000), wk = 0.0034722 k( 88) = ( 0.0000000 0.2785272 -0.0000000), wk = 0.0034722 k( 89) = ( 0.0000000 0.2611193 -0.0000000), wk = 0.0034722 k( 90) = ( 0.0000000 0.2437113 -0.0000000), wk = 0.0034722 k( 91) = ( 0.0000000 0.2263034 -0.0000000), wk = 0.0034722 k( 92) = ( 0.0000000 0.2088954 -0.0000000), wk = 0.0034722 k( 93) = ( 0.0000000 0.1914875 -0.0000000), wk = 0.0034722 k( 94) = ( 0.0000000 0.1740795 -0.0000000), wk = 0.0034722 k( 95) = ( 0.0000000 0.1566716 -0.0000000), wk = 0.0034722 k( 96) = ( 0.0000000 0.1392636 -0.0000000), wk = 0.0034722 k( 97) = ( 0.0000000 0.1218557 -0.0000000), wk = 0.0034722 k( 98) = ( 0.0000000 0.1044477 -0.0000000), wk = 0.0034722 k( 99) = ( 0.0000000 0.0870398 -0.0000000), wk = 0.0034722 k( 100) = ( 0.0000000 0.0696318 -0.0000000), wk = 0.0034722 k( 101) = ( 0.0000000 0.0522239 -0.0000000), wk = 0.0034722 k( 102) = ( 0.0000000 0.0348159 -0.0000000), wk = 0.0034722 k( 103) = ( 0.0000000 0.0174079 -0.0000000), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.0168759), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.0337518), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.0506277), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.0675036), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.0843795), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.1012554), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.1181313), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.1350072), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.1518830), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.1687589), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.1856348), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.2025107), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.2193866), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.2362625), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.2531384), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.2700143), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.2868902), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.3037661), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.3206420), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.3206420), wk = 0.0034722 k( 126) = ( 0.0172414 -0.0000000 0.3206420), wk = 0.0034722 k( 127) = ( 0.0344828 -0.0000000 0.3206420), wk = 0.0034722 k( 128) = ( 0.0517241 -0.0000000 0.3206420), wk = 0.0034722 k( 129) = ( 0.0689655 -0.0000000 0.3206420), wk = 0.0034722 k( 130) = ( 0.0862069 -0.0000000 0.3206420), wk = 0.0034722 k( 131) = ( 0.1034483 -0.0000000 0.3206420), wk = 0.0034722 k( 132) = ( 0.1206897 -0.0000000 0.3206420), wk = 0.0034722 k( 133) = ( 0.1379310 -0.0000000 0.3206420), wk = 0.0034722 k( 134) = ( 0.1551724 -0.0000000 0.3206420), wk = 0.0034722 k( 135) = ( 0.1724138 -0.0000000 0.3206420), wk = 0.0034722 k( 136) = ( 0.1896552 -0.0000000 0.3206420), wk = 0.0034722 k( 137) = ( 0.2068966 -0.0000000 0.3206420), wk = 0.0034722 k( 138) = ( 0.2241379 -0.0000000 0.3206420), wk = 0.0034722 k( 139) = ( 0.2413793 -0.0000000 0.3206420), wk = 0.0034722 k( 140) = ( 0.2586207 -0.0000000 0.3206420), wk = 0.0034722 k( 141) = ( 0.2758621 -0.0000000 0.3206420), wk = 0.0034722 k( 142) = ( 0.2931034 -0.0000000 0.3206420), wk = 0.0034722 k( 143) = ( 0.3103448 -0.0000000 0.3206420), wk = 0.0034722 k( 144) = ( 0.3275862 -0.0000000 0.3206420), wk = 0.0034722 k( 145) = ( 0.3448276 -0.0000000 0.3206420), wk = 0.0034722 k( 146) = ( 0.3620690 -0.0000000 0.3206420), wk = 0.0034722 k( 147) = ( 0.3793103 -0.0000000 0.3206420), wk = 0.0034722 k( 148) = ( 0.3965517 -0.0000000 0.3206420), wk = 0.0034722 k( 149) = ( 0.4137931 -0.0000000 0.3206420), wk = 0.0034722 k( 150) = ( 0.4310345 -0.0000000 0.3206420), wk = 0.0034722 k( 151) = ( 0.4482759 -0.0000000 0.3206420), wk = 0.0034722 k( 152) = ( 0.4655172 -0.0000000 0.3206420), wk = 0.0034722 k( 153) = ( 0.4827586 -0.0000000 0.3206420), wk = 0.0034722 k( 154) = ( 0.5000000 -0.0000000 0.3206420), wk = 0.0034722 k( 155) = ( 0.5000000 -0.0000000 0.3206420), wk = 0.0034722 k( 156) = ( 0.5000000 0.0174079 0.3206420), wk = 0.0034722 k( 157) = ( 0.5000000 0.0348159 0.3206420), wk = 0.0034722 k( 158) = ( 0.5000000 0.0522239 0.3206420), wk = 0.0034722 k( 159) = ( 0.5000000 0.0696318 0.3206420), wk = 0.0034722 k( 160) = ( 0.5000000 0.0870398 0.3206420), wk = 0.0034722 k( 161) = ( 0.5000000 0.1044477 0.3206420), wk = 0.0034722 k( 162) = ( 0.5000000 0.1218557 0.3206420), wk = 0.0034722 k( 163) = ( 0.5000000 0.1392636 0.3206420), wk = 0.0034722 k( 164) = ( 0.5000000 0.1566716 0.3206420), wk = 0.0034722 k( 165) = ( 0.5000000 0.1740795 0.3206420), wk = 0.0034722 k( 166) = ( 0.5000000 0.1914875 0.3206420), wk = 0.0034722 k( 167) = ( 0.5000000 0.2088954 0.3206420), wk = 0.0034722 k( 168) = ( 0.5000000 0.2263034 0.3206420), wk = 0.0034722 k( 169) = ( 0.5000000 0.2437113 0.3206420), wk = 0.0034722 k( 170) = ( 0.5000000 0.2611193 0.3206420), wk = 0.0034722 k( 171) = ( 0.5000000 0.2785272 0.3206420), wk = 0.0034722 k( 172) = ( 0.5000000 0.2959352 0.3206420), wk = 0.0034722 k( 173) = ( 0.5000000 0.3133431 0.3206420), wk = 0.0034722 k( 174) = ( 0.5000000 0.3307511 0.3206420), wk = 0.0034722 k( 175) = ( 0.5000000 0.3481590 0.3206420), wk = 0.0034722 k( 176) = ( 0.5000000 0.3655670 0.3206420), wk = 0.0034722 k( 177) = ( 0.5000000 0.3655670 0.3206420), wk = 0.0034722 k( 178) = ( 0.4827586 0.3655670 0.3206420), wk = 0.0034722 k( 179) = ( 0.4655172 0.3655670 0.3206420), wk = 0.0034722 k( 180) = ( 0.4482759 0.3655670 0.3206420), wk = 0.0034722 k( 181) = ( 0.4310345 0.3655670 0.3206420), wk = 0.0034722 k( 182) = ( 0.4137931 0.3655670 0.3206420), wk = 0.0034722 k( 183) = ( 0.3965517 0.3655670 0.3206420), wk = 0.0034722 k( 184) = ( 0.3793103 0.3655670 0.3206420), wk = 0.0034722 k( 185) = ( 0.3620690 0.3655670 0.3206420), wk = 0.0034722 k( 186) = ( 0.3448276 0.3655670 0.3206420), wk = 0.0034722 k( 187) = ( 0.3275862 0.3655670 0.3206420), wk = 0.0034722 k( 188) = ( 0.3103448 0.3655670 0.3206420), wk = 0.0034722 k( 189) = ( 0.2931034 0.3655670 0.3206420), wk = 0.0034722 k( 190) = ( 0.2758621 0.3655670 0.3206420), wk = 0.0034722 k( 191) = ( 0.2586207 0.3655670 0.3206420), wk = 0.0034722 k( 192) = ( 0.2413793 0.3655670 0.3206420), wk = 0.0034722 k( 193) = ( 0.2241379 0.3655670 0.3206420), wk = 0.0034722 k( 194) = ( 0.2068966 0.3655670 0.3206420), wk = 0.0034722 k( 195) = ( 0.1896552 0.3655670 0.3206420), wk = 0.0034722 k( 196) = ( 0.1724138 0.3655670 0.3206420), wk = 0.0034722 k( 197) = ( 0.1551724 0.3655670 0.3206420), wk = 0.0034722 k( 198) = ( 0.1379310 0.3655670 0.3206420), wk = 0.0034722 k( 199) = ( 0.1206897 0.3655670 0.3206420), wk = 0.0034722 k( 200) = ( 0.1034483 0.3655670 0.3206420), wk = 0.0034722 k( 201) = ( 0.0862069 0.3655670 0.3206420), wk = 0.0034722 k( 202) = ( 0.0689655 0.3655670 0.3206420), wk = 0.0034722 k( 203) = ( 0.0517241 0.3655670 0.3206420), wk = 0.0034722 k( 204) = ( 0.0344828 0.3655670 0.3206420), wk = 0.0034722 k( 205) = ( 0.0172414 0.3655670 0.3206420), wk = 0.0034722 k( 206) = ( 0.0000000 0.3655670 0.3206420), wk = 0.0034722 k( 207) = ( 0.0000000 0.3655670 0.3206420), wk = 0.0034722 k( 208) = ( 0.0000000 0.3481590 0.3206420), wk = 0.0034722 k( 209) = ( 0.0000000 0.3307511 0.3206420), wk = 0.0034722 k( 210) = ( 0.0000000 0.3133431 0.3206420), wk = 0.0034722 k( 211) = ( 0.0000000 0.2959352 0.3206420), wk = 0.0034722 k( 212) = ( 0.0000000 0.2785272 0.3206420), wk = 0.0034722 k( 213) = ( 0.0000000 0.2611193 0.3206420), wk = 0.0034722 k( 214) = ( 0.0000000 0.2437113 0.3206420), wk = 0.0034722 k( 215) = ( 0.0000000 0.2263034 0.3206420), wk = 0.0034722 k( 216) = ( 0.0000000 0.2088954 0.3206420), wk = 0.0034722 k( 217) = ( 0.0000000 0.1914875 0.3206420), wk = 0.0034722 k( 218) = ( 0.0000000 0.1740795 0.3206420), wk = 0.0034722 k( 219) = ( 0.0000000 0.1566716 0.3206420), wk = 0.0034722 k( 220) = ( 0.0000000 0.1392636 0.3206420), wk = 0.0034722 k( 221) = ( 0.0000000 0.1218557 0.3206420), wk = 0.0034722 k( 222) = ( 0.0000000 0.1044477 0.3206420), wk = 0.0034722 k( 223) = ( 0.0000000 0.0870398 0.3206420), wk = 0.0034722 k( 224) = ( 0.0000000 0.0696318 0.3206420), wk = 0.0034722 k( 225) = ( 0.0000000 0.0522239 0.3206420), wk = 0.0034722 k( 226) = ( 0.0000000 0.0348159 0.3206420), wk = 0.0034722 k( 227) = ( 0.0000000 0.0174079 0.3206420), wk = 0.0034722 k( 228) = ( 0.0000000 0.0000000 0.3206420), wk = 0.0034722 k( 229) = ( 0.0000000 0.3655670 -0.0000000), wk = 0.0034722 k( 230) = ( 0.0000000 0.3655670 0.0168759), wk = 0.0034722 k( 231) = ( 0.0000000 0.3655670 0.0337518), wk = 0.0034722 k( 232) = ( 0.0000000 0.3655670 0.0506277), wk = 0.0034722 k( 233) = ( 0.0000000 0.3655670 0.0675036), wk = 0.0034722 k( 234) = ( 0.0000000 0.3655670 0.0843795), wk = 0.0034722 k( 235) = ( 0.0000000 0.3655670 0.1012554), wk = 0.0034722 k( 236) = ( 0.0000000 0.3655670 0.1181313), wk = 0.0034722 k( 237) = ( 0.0000000 0.3655670 0.1350072), wk = 0.0034722 k( 238) = ( 0.0000000 0.3655670 0.1518830), wk = 0.0034722 k( 239) = ( 0.0000000 0.3655670 0.1687589), wk = 0.0034722 k( 240) = ( 0.0000000 0.3655670 0.1856348), wk = 0.0034722 k( 241) = ( 0.0000000 0.3655670 0.2025107), wk = 0.0034722 k( 242) = ( 0.0000000 0.3655670 0.2193866), wk = 0.0034722 k( 243) = ( 0.0000000 0.3655670 0.2362625), wk = 0.0034722 k( 244) = ( 0.0000000 0.3655670 0.2531384), wk = 0.0034722 k( 245) = ( 0.0000000 0.3655670 0.2700143), wk = 0.0034722 k( 246) = ( 0.0000000 0.3655670 0.2868902), wk = 0.0034722 k( 247) = ( 0.0000000 0.3655670 0.3037661), wk = 0.0034722 k( 248) = ( 0.0000000 0.3655670 0.3206420), wk = 0.0034722 k( 249) = ( 0.5000000 -0.0000000 0.3206420), wk = 0.0034722 k( 250) = ( 0.5000000 -0.0000000 0.3037661), wk = 0.0034722 k( 251) = ( 0.5000000 -0.0000000 0.2868902), wk = 0.0034722 k( 252) = ( 0.5000000 -0.0000000 0.2700143), wk = 0.0034722 k( 253) = ( 0.5000000 -0.0000000 0.2531384), wk = 0.0034722 k( 254) = ( 0.5000000 -0.0000000 0.2362625), wk = 0.0034722 k( 255) = ( 0.5000000 -0.0000000 0.2193866), wk = 0.0034722 k( 256) = ( 0.5000000 -0.0000000 0.2025107), wk = 0.0034722 k( 257) = ( 0.5000000 -0.0000000 0.1856348), wk = 0.0034722 k( 258) = ( 0.5000000 -0.0000000 0.1687589), wk = 0.0034722 k( 259) = ( 0.5000000 -0.0000000 0.1518830), wk = 0.0034722 k( 260) = ( 0.5000000 -0.0000000 0.1350072), wk = 0.0034722 k( 261) = ( 0.5000000 -0.0000000 0.1181313), wk = 0.0034722 k( 262) = ( 0.5000000 -0.0000000 0.1012554), wk = 0.0034722 k( 263) = ( 0.5000000 -0.0000000 0.0843795), wk = 0.0034722 k( 264) = ( 0.5000000 -0.0000000 0.0675036), wk = 0.0034722 k( 265) = ( 0.5000000 -0.0000000 0.0506277), wk = 0.0034722 k( 266) = ( 0.5000000 -0.0000000 0.0337518), wk = 0.0034722 k( 267) = ( 0.5000000 -0.0000000 0.0168759), wk = 0.0034722 k( 268) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 269) = ( 0.5000000 0.3655670 -0.0000000), wk = 0.0034722 k( 270) = ( 0.5000000 0.3655670 0.0168759), wk = 0.0034722 k( 271) = ( 0.5000000 0.3655670 0.0337518), wk = 0.0034722 k( 272) = ( 0.5000000 0.3655670 0.0506277), wk = 0.0034722 k( 273) = ( 0.5000000 0.3655670 0.0675036), wk = 0.0034722 k( 274) = ( 0.5000000 0.3655670 0.0843795), wk = 0.0034722 k( 275) = ( 0.5000000 0.3655670 0.1012554), wk = 0.0034722 k( 276) = ( 0.5000000 0.3655670 0.1181313), wk = 0.0034722 k( 277) = ( 0.5000000 0.3655670 0.1350072), wk = 0.0034722 k( 278) = ( 0.5000000 0.3655670 0.1518830), wk = 0.0034722 k( 279) = ( 0.5000000 0.3655670 0.1687589), wk = 0.0034722 k( 280) = ( 0.5000000 0.3655670 0.1856348), wk = 0.0034722 k( 281) = ( 0.5000000 0.3655670 0.2025107), wk = 0.0034722 k( 282) = ( 0.5000000 0.3655670 0.2193866), wk = 0.0034722 k( 283) = ( 0.5000000 0.3655670 0.2362625), wk = 0.0034722 k( 284) = ( 0.5000000 0.3655670 0.2531384), wk = 0.0034722 k( 285) = ( 0.5000000 0.3655670 0.2700143), wk = 0.0034722 k( 286) = ( 0.5000000 0.3655670 0.2868902), wk = 0.0034722 k( 287) = ( 0.5000000 0.3655670 0.3037661), wk = 0.0034722 k( 288) = ( 0.5000000 0.3655670 0.3206420), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0034722 k( 3) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0034722 k( 5) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0034722 k( 6) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0034722 k( 10) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0034722 k( 12) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0034722 k( 13) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0034722 k( 18) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0034722 k( 19) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0034722 k( 20) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0034722 k( 21) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0034722 k( 22) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0034722 k( 24) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0034722 k( 25) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0034722 k( 28) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0034722 k( 29) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.5000000 0.0238095 0.0000000), wk = 0.0034722 k( 33) = ( 0.5000000 0.0476191 0.0000000), wk = 0.0034722 k( 34) = ( 0.5000000 0.0714286 -0.0000000), wk = 0.0034722 k( 35) = ( 0.5000000 0.0952381 0.0000000), wk = 0.0034722 k( 36) = ( 0.5000000 0.1190476 0.0000000), wk = 0.0034722 k( 37) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0034722 k( 38) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0034722 k( 39) = ( 0.5000000 0.1904762 0.0000000), wk = 0.0034722 k( 40) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0034722 k( 41) = ( 0.5000000 0.2380952 -0.0000000), wk = 0.0034722 k( 42) = ( 0.5000000 0.2619048 0.0000000), wk = 0.0034722 k( 43) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0034722 k( 44) = ( 0.5000000 0.3095238 0.0000000), wk = 0.0034722 k( 45) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0034722 k( 46) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0034722 k( 47) = ( 0.5000000 0.3809524 -0.0000000), wk = 0.0034722 k( 48) = ( 0.5000000 0.4047619 0.0000000), wk = 0.0034722 k( 49) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0034722 k( 50) = ( 0.5000000 0.4523809 0.0000000), wk = 0.0034722 k( 51) = ( 0.5000000 0.4761905 0.0000000), wk = 0.0034722 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 54) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0034722 k( 55) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0034722 k( 56) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0034722 k( 57) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0034722 k( 58) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0034722 k( 59) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0034722 k( 60) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0034722 k( 61) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0034722 k( 62) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0034722 k( 63) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0034722 k( 64) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0034722 k( 65) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0034722 k( 66) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0034722 k( 67) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0034722 k( 68) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0034722 k( 69) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0034722 k( 70) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0034722 k( 71) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0034722 k( 72) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0034722 k( 73) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0034722 k( 74) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0034722 k( 75) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0034722 k( 76) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0034722 k( 77) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0034722 k( 78) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0034722 k( 79) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0034722 k( 80) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0034722 k( 81) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0034722 k( 82) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034722 k( 83) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034722 k( 84) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0034722 k( 85) = ( 0.0000000 0.4523809 -0.0000000), wk = 0.0034722 k( 86) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0034722 k( 87) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0034722 k( 88) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0034722 k( 89) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0034722 k( 90) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0034722 k( 91) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0034722 k( 92) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0034722 k( 93) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0034722 k( 94) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0034722 k( 95) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0034722 k( 96) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0034722 k( 97) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0034722 k( 98) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0034722 k( 99) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0034722 k( 100) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0034722 k( 101) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0034722 k( 102) = ( 0.0000000 0.0476190 0.0000000), wk = 0.0034722 k( 103) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0034722 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 106) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0034722 k( 107) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0034722 k( 108) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0034722 k( 109) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0034722 k( 110) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0034722 k( 111) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0034722 k( 112) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0034722 k( 113) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0034722 k( 114) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0034722 k( 115) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0034722 k( 116) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 126) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0034722 k( 127) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0034722 k( 128) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0034722 k( 129) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0034722 k( 130) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0034722 k( 131) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0034722 k( 132) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0034722 k( 133) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0034722 k( 134) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0034722 k( 135) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0034722 k( 136) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0034722 k( 137) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0034722 k( 138) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0034722 k( 139) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0034722 k( 140) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0034722 k( 141) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0034722 k( 142) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0034722 k( 143) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0034722 k( 144) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0034722 k( 145) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0034722 k( 146) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0034722 k( 147) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0034722 k( 148) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0034722 k( 149) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0034722 k( 150) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0034722 k( 151) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0034722 k( 152) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0034722 k( 153) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0034722 k( 154) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 156) = ( 0.5000000 0.0238095 0.5000000), wk = 0.0034722 k( 157) = ( 0.5000000 0.0476191 0.5000000), wk = 0.0034722 k( 158) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0034722 k( 159) = ( 0.5000000 0.0952381 0.5000000), wk = 0.0034722 k( 160) = ( 0.5000000 0.1190476 0.5000000), wk = 0.0034722 k( 161) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0034722 k( 162) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0034722 k( 163) = ( 0.5000000 0.1904762 0.5000000), wk = 0.0034722 k( 164) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0034722 k( 165) = ( 0.5000000 0.2380952 0.5000000), wk = 0.0034722 k( 166) = ( 0.5000000 0.2619048 0.5000000), wk = 0.0034722 k( 167) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0034722 k( 168) = ( 0.5000000 0.3095238 0.5000000), wk = 0.0034722 k( 169) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0034722 k( 170) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0034722 k( 171) = ( 0.5000000 0.3809524 0.5000000), wk = 0.0034722 k( 172) = ( 0.5000000 0.4047619 0.5000000), wk = 0.0034722 k( 173) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0034722 k( 174) = ( 0.5000000 0.4523809 0.5000000), wk = 0.0034722 k( 175) = ( 0.5000000 0.4761905 0.5000000), wk = 0.0034722 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 178) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0034722 k( 179) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0034722 k( 180) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0034722 k( 181) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0034722 k( 182) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0034722 k( 183) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0034722 k( 184) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0034722 k( 185) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0034722 k( 186) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0034722 k( 187) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0034722 k( 188) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0034722 k( 189) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0034722 k( 190) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0034722 k( 191) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0034722 k( 192) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0034722 k( 193) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0034722 k( 194) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0034722 k( 195) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0034722 k( 196) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0034722 k( 197) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0034722 k( 198) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0034722 k( 199) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0034722 k( 200) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0034722 k( 201) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0034722 k( 202) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0034722 k( 203) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0034722 k( 204) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0034722 k( 205) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0034722 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 208) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0034722 k( 209) = ( 0.0000000 0.4523809 0.5000000), wk = 0.0034722 k( 210) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0034722 k( 211) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0034722 k( 212) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0034722 k( 213) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0034722 k( 214) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0034722 k( 215) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0034722 k( 216) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0034722 k( 217) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0034722 k( 218) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0034722 k( 219) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0034722 k( 220) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0034722 k( 221) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0034722 k( 222) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0034722 k( 223) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0034722 k( 224) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0034722 k( 225) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0034722 k( 226) = ( 0.0000000 0.0476190 0.5000000), wk = 0.0034722 k( 227) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0034722 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 229) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034722 k( 230) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0034722 k( 231) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0034722 k( 232) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0034722 k( 233) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0034722 k( 234) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0034722 k( 235) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0034722 k( 236) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0034722 k( 237) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0034722 k( 238) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0034722 k( 239) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0034722 k( 240) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0034722 k( 241) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0034722 k( 242) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0034722 k( 243) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0034722 k( 244) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0034722 k( 245) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0034722 k( 246) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0034722 k( 247) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0034722 k( 248) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034722 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 250) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0034722 k( 251) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0034722 k( 252) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0034722 k( 253) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0034722 k( 254) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0034722 k( 255) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0034722 k( 256) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0034722 k( 257) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0034722 k( 258) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0034722 k( 259) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0034722 k( 260) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0034722 k( 261) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0034722 k( 262) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0034722 k( 263) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0034722 k( 264) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0034722 k( 265) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0034722 k( 266) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0034722 k( 267) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0034722 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 270) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034722 k( 271) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034722 k( 272) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034722 k( 273) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034722 k( 274) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034722 k( 275) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034722 k( 276) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034722 k( 277) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034722 k( 278) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034722 k( 279) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034722 k( 280) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034722 k( 281) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034722 k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034722 k( 283) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034722 k( 284) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034722 k( 285) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034722 k( 286) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034722 k( 287) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034722 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 Dense grid: 235843 G-vectors FFT dimensions: ( 60, 81, 96) Smooth grid: 99585 G-vectors FFT dimensions: ( 45, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 350, 58) NL pseudopotentials 0.45 Mb ( 175, 168) Each V/rho on FFT grid 0.15 Mb ( 9720) Each G-vector array 0.02 Mb ( 3275) G-vector shells 0.01 Mb ( 1664) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.24 Mb ( 350, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.30 Mb ( 168, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./H4CSN2.save/charge-density.dat negative rho (up, down): 2.294E-07 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.5 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.7 secs Computing kpt #: 6 total cpu time spent up to now is 12.6 secs Computing kpt #: 7 total cpu time spent up to now is 16.2 secs Computing kpt #: 8 total cpu time spent up to now is 18.1 secs Computing kpt #: 9 total cpu time spent up to now is 19.7 secs Computing kpt #: 10 total cpu time spent up to now is 21.5 secs Computing kpt #: 11 total cpu time spent up to now is 23.1 secs Computing kpt #: 12 total cpu time spent up to now is 24.6 secs Computing kpt #: 13 total cpu time spent up to now is 26.2 secs Computing kpt #: 14 total cpu time spent up to now is 27.8 secs Computing kpt #: 15 total cpu time spent up to now is 29.4 secs Computing kpt #: 16 total cpu time spent up to now is 31.0 secs Computing kpt #: 17 total cpu time spent up to now is 32.5 secs Computing kpt #: 18 total cpu time spent up to now is 34.0 secs Computing kpt #: 19 total cpu time spent up to now is 35.6 secs Computing kpt #: 20 total cpu time spent up to now is 36.9 secs Computing kpt #: 21 total cpu time spent up to now is 38.4 secs Computing kpt #: 22 total cpu time spent up to now is 40.0 secs Computing kpt #: 23 total cpu time spent up to now is 41.4 secs Computing kpt #: 24 total cpu time spent up to now is 42.9 secs Computing kpt #: 25 total cpu time spent up to now is 44.4 secs Computing kpt #: 26 total cpu time spent up to now is 46.1 secs Computing kpt #: 27 total cpu time spent up to now is 47.8 secs Computing kpt #: 28 total cpu time spent up to now is 49.5 secs Computing kpt #: 29 total cpu time spent up to now is 51.1 secs Computing kpt #: 30 total cpu time spent up to now is 52.7 secs Computing kpt #: 31 total cpu time spent up to now is 54.4 secs Computing kpt #: 32 total cpu time spent up to now is 56.0 secs Computing kpt #: 33 total cpu time spent up to now is 57.6 secs Computing kpt #: 34 total cpu time spent up to now is 59.5 secs Computing kpt #: 35 total cpu time spent up to now is 62.2 secs Computing kpt #: 36 total cpu time spent up to now is 63.9 secs Computing kpt #: 37 total cpu time spent up to now is 65.6 secs Computing kpt #: 38 total cpu time spent up to now is 67.2 secs Computing kpt #: 39 total cpu time spent up to now is 68.8 secs Computing kpt #: 40 total cpu time spent up to now is 70.5 secs Computing kpt #: 41 total cpu time spent up to now is 72.1 secs Computing kpt #: 42 total cpu time spent up to now is 73.7 secs Computing kpt #: 43 total cpu time spent up to now is 75.1 secs Computing kpt #: 44 total cpu time spent up to now is 76.4 secs Computing kpt #: 45 total cpu time spent up to now is 77.7 secs Computing kpt #: 46 total cpu time spent up to now is 79.2 secs Computing kpt #: 47 total cpu time spent up to now is 80.5 secs Computing kpt #: 48 total cpu time spent up to now is 81.8 secs Computing kpt #: 49 total cpu time spent up to now is 83.3 secs Computing kpt #: 50 total cpu time spent up to now is 84.7 secs Computing kpt #: 51 total cpu time spent up to now is 86.1 secs Computing kpt #: 52 total cpu time spent up to now is 87.7 secs Computing kpt #: 53 total cpu time spent up to now is 89.5 secs Computing kpt #: 54 total cpu time spent up to now is 91.0 secs Computing kpt #: 55 total cpu time spent up to now is 92.6 secs Computing kpt #: 56 total cpu time spent up to now is 94.2 secs Computing kpt #: 57 total cpu time spent up to now is 95.7 secs Computing kpt #: 58 total cpu time spent up to now is 97.5 secs Computing kpt #: 59 total cpu time spent up to now is 99.0 secs Computing kpt #: 60 total cpu time spent up to now is 100.6 secs Computing kpt #: 61 total cpu time spent up to now is 102.3 secs Computing kpt #: 62 total cpu time spent up to now is 103.9 secs Computing kpt #: 63 total cpu time spent up to now is 105.4 secs Computing kpt #: 64 total cpu time spent up to now is 107.2 secs Computing kpt #: 65 total cpu time spent up to now is 108.8 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 67 total cpu time spent up to now is 114.2 secs Computing kpt #: 68 total cpu time spent up to now is 115.9 secs Computing kpt #: 69 total cpu time spent up to now is 117.7 secs Computing kpt #: 70 total cpu time spent up to now is 119.6 secs Computing kpt #: 71 total cpu time spent up to now is 121.3 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.0 secs Computing kpt #: 73 total cpu time spent up to now is 126.8 secs Computing kpt #: 74 total cpu time spent up to now is 128.5 secs Computing kpt #: 75 total cpu time spent up to now is 130.5 secs Computing kpt #: 76 total cpu time spent up to now is 132.2 secs Computing kpt #: 77 total cpu time spent up to now is 133.9 secs Computing kpt #: 78 total cpu time spent up to now is 135.9 secs Computing kpt #: 79 total cpu time spent up to now is 137.7 secs Computing kpt #: 80 total cpu time spent up to now is 139.5 secs Computing kpt #: 81 total cpu time spent up to now is 141.5 secs Computing kpt #: 82 total cpu time spent up to now is 143.2 secs Computing kpt #: 83 total cpu time spent up to now is 145.1 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.4 secs Computing kpt #: 85 total cpu time spent up to now is 153.0 secs Computing kpt #: 86 total cpu time spent up to now is 155.7 secs Computing kpt #: 87 total cpu time spent up to now is 158.6 secs Computing kpt #: 88 total cpu time spent up to now is 160.4 secs Computing kpt #: 89 total cpu time spent up to now is 162.0 secs Computing kpt #: 90 total cpu time spent up to now is 163.5 secs Computing kpt #: 91 total cpu time spent up to now is 165.1 secs Computing kpt #: 92 total cpu time spent up to now is 167.0 secs Computing kpt #: 93 total cpu time spent up to now is 168.5 secs Computing kpt #: 94 total cpu time spent up to now is 170.0 secs Computing kpt #: 95 total cpu time spent up to now is 171.7 secs Computing kpt #: 96 total cpu time spent up to now is 173.5 secs Computing kpt #: 97 total cpu time spent up to now is 175.1 secs Computing kpt #: 98 total cpu time spent up to now is 176.8 secs Computing kpt #: 99 total cpu time spent up to now is 178.4 secs Computing kpt #: 100 total cpu time spent up to now is 179.9 secs Computing kpt #: 101 total cpu time spent up to now is 181.2 secs Computing kpt #: 102 total cpu time spent up to now is 182.8 secs Computing kpt #: 103 total cpu time spent up to now is 184.2 secs Computing kpt #: 104 total cpu time spent up to now is 185.6 secs Computing kpt #: 105 total cpu time spent up to now is 187.0 secs Computing kpt #: 106 total cpu time spent up to now is 188.4 secs Computing kpt #: 107 total cpu time spent up to now is 189.8 secs Computing kpt #: 108 total cpu time spent up to now is 191.2 secs Computing kpt #: 109 total cpu time spent up to now is 192.5 secs Computing kpt #: 110 total cpu time spent up to now is 193.9 secs Computing kpt #: 111 total cpu time spent up to now is 195.3 secs Computing kpt #: 112 total cpu time spent up to now is 196.6 secs Computing kpt #: 113 total cpu time spent up to now is 198.1 secs Computing kpt #: 114 total cpu time spent up to now is 199.4 secs Computing kpt #: 115 total cpu time spent up to now is 201.0 secs Computing kpt #: 116 total cpu time spent up to now is 202.5 secs Computing kpt #: 117 total cpu time spent up to now is 204.0 secs Computing kpt #: 118 total cpu time spent up to now is 205.3 secs Computing kpt #: 119 total cpu time spent up to now is 206.8 secs Computing kpt #: 120 total cpu time spent up to now is 208.4 secs Computing kpt #: 121 total cpu time spent up to now is 210.0 secs Computing kpt #: 122 total cpu time spent up to now is 211.5 secs Computing kpt #: 123 total cpu time spent up to now is 213.3 secs Computing kpt #: 124 total cpu time spent up to now is 214.9 secs Computing kpt #: 125 total cpu time spent up to now is 216.5 secs Computing kpt #: 126 total cpu time spent up to now is 218.2 secs Computing kpt #: 127 total cpu time spent up to now is 219.9 secs Computing kpt #: 128 total cpu time spent up to now is 221.6 secs Computing kpt #: 129 total cpu time spent up to now is 223.3 secs Computing kpt #: 130 total cpu time spent up to now is 224.9 secs Computing kpt #: 131 total cpu time spent up to now is 226.5 secs Computing kpt #: 132 total cpu time spent up to now is 228.3 secs Computing kpt #: 133 total cpu time spent up to now is 229.8 secs Computing kpt #: 134 total cpu time spent up to now is 231.7 secs Computing kpt #: 135 total cpu time spent up to now is 233.3 secs Computing kpt #: 136 total cpu time spent up to now is 236.4 secs Computing kpt #: 137 total cpu time spent up to now is 239.9 secs Computing kpt #: 138 total cpu time spent up to now is 241.8 secs Computing kpt #: 139 total cpu time spent up to now is 243.3 secs Computing kpt #: 140 total cpu time spent up to now is 244.9 secs Computing kpt #: 141 total cpu time spent up to now is 246.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.9 secs Computing kpt #: 143 total cpu time spent up to now is 252.6 secs Computing kpt #: 144 total cpu time spent up to now is 254.2 secs Computing kpt #: 145 total cpu time spent up to now is 255.8 secs Computing kpt #: 146 total cpu time spent up to now is 257.5 secs Computing kpt #: 147 total cpu time spent up to now is 259.2 secs Computing kpt #: 148 total cpu time spent up to now is 260.7 secs Computing kpt #: 149 total cpu time spent up to now is 262.2 secs Computing kpt #: 150 total cpu time spent up to now is 263.8 secs Computing kpt #: 151 total cpu time spent up to now is 265.3 secs Computing kpt #: 152 total cpu time spent up to now is 266.7 secs Computing kpt #: 153 total cpu time spent up to now is 268.3 secs Computing kpt #: 154 total cpu time spent up to now is 269.7 secs Computing kpt #: 155 total cpu time spent up to now is 271.2 secs Computing kpt #: 156 total cpu time spent up to now is 272.7 secs Computing kpt #: 157 total cpu time spent up to now is 274.2 secs Computing kpt #: 158 total cpu time spent up to now is 275.7 secs Computing kpt #: 159 total cpu time spent up to now is 277.1 secs Computing kpt #: 160 total cpu time spent up to now is 278.7 secs Computing kpt #: 161 total cpu time spent up to now is 280.1 secs Computing kpt #: 162 total cpu time spent up to now is 281.6 secs Computing kpt #: 163 total cpu time spent up to now is 283.0 secs Computing kpt #: 164 total cpu time spent up to now is 284.7 secs Computing kpt #: 165 total cpu time spent up to now is 286.1 secs Computing kpt #: 166 total cpu time spent up to now is 287.6 secs Computing kpt #: 167 total cpu time spent up to now is 289.2 secs Computing kpt #: 168 total cpu time spent up to now is 290.7 secs Computing kpt #: 169 total cpu time spent up to now is 292.4 secs Computing kpt #: 170 total cpu time spent up to now is 294.1 secs Computing kpt #: 171 total cpu time spent up to now is 296.2 secs Computing kpt #: 172 total cpu time spent up to now is 297.9 secs Computing kpt #: 173 total cpu time spent up to now is 299.6 secs Computing kpt #: 174 total cpu time spent up to now is 301.2 secs Computing kpt #: 175 total cpu time spent up to now is 303.1 secs Computing kpt #: 176 total cpu time spent up to now is 304.6 secs Computing kpt #: 177 total cpu time spent up to now is 306.2 secs Computing kpt #: 178 total cpu time spent up to now is 307.7 secs Computing kpt #: 179 total cpu time spent up to now is 309.1 secs Computing kpt #: 180 total cpu time spent up to now is 310.4 secs Computing kpt #: 181 total cpu time spent up to now is 312.6 secs Computing kpt #: 182 total cpu time spent up to now is 314.0 secs Computing kpt #: 183 total cpu time spent up to now is 315.4 secs Computing kpt #: 184 total cpu time spent up to now is 316.7 secs Computing kpt #: 185 total cpu time spent up to now is 318.2 secs Computing kpt #: 186 total cpu time spent up to now is 319.6 secs Computing kpt #: 187 total cpu time spent up to now is 320.9 secs Computing kpt #: 188 total cpu time spent up to now is 322.3 secs Computing kpt #: 189 total cpu time spent up to now is 323.7 secs Computing kpt #: 190 total cpu time spent up to now is 325.2 secs Computing kpt #: 191 total cpu time spent up to now is 326.8 secs Computing kpt #: 192 total cpu time spent up to now is 328.3 secs Computing kpt #: 193 total cpu time spent up to now is 329.7 secs Computing kpt #: 194 total cpu time spent up to now is 331.2 secs Computing kpt #: 195 total cpu time spent up to now is 332.7 secs Computing kpt #: 196 total cpu time spent up to now is 334.3 secs Computing kpt #: 197 total cpu time spent up to now is 335.9 secs Computing kpt #: 198 total cpu time spent up to now is 337.4 secs Computing kpt #: 199 total cpu time spent up to now is 339.0 secs Computing kpt #: 200 total cpu time spent up to now is 340.5 secs Computing kpt #: 201 total cpu time spent up to now is 342.0 secs Computing kpt #: 202 total cpu time spent up to now is 343.5 secs Computing kpt #: 203 total cpu time spent up to now is 345.0 secs Computing kpt #: 204 total cpu time spent up to now is 346.5 secs Computing kpt #: 205 total cpu time spent up to now is 348.1 secs Computing kpt #: 206 total cpu time spent up to now is 349.5 secs Computing kpt #: 207 total cpu time spent up to now is 350.9 secs Computing kpt #: 208 total cpu time spent up to now is 352.2 secs Computing kpt #: 209 total cpu time spent up to now is 353.5 secs Computing kpt #: 210 total cpu time spent up to now is 354.9 secs Computing kpt #: 211 total cpu time spent up to now is 356.2 secs Computing kpt #: 212 total cpu time spent up to now is 357.5 secs Computing kpt #: 213 total cpu time spent up to now is 358.8 secs Computing kpt #: 214 total cpu time spent up to now is 360.1 secs Computing kpt #: 215 total cpu time spent up to now is 361.4 secs Computing kpt #: 216 total cpu time spent up to now is 362.8 secs Computing kpt #: 217 total cpu time spent up to now is 364.4 secs Computing kpt #: 218 total cpu time spent up to now is 365.7 secs Computing kpt #: 219 total cpu time spent up to now is 367.1 secs Computing kpt #: 220 total cpu time spent up to now is 368.4 secs Computing kpt #: 221 total cpu time spent up to now is 369.8 secs Computing kpt #: 222 total cpu time spent up to now is 371.2 secs Computing kpt #: 223 total cpu time spent up to now is 372.7 secs Computing kpt #: 224 total cpu time spent up to now is 374.1 secs Computing kpt #: 225 total cpu time spent up to now is 375.6 secs Computing kpt #: 226 total cpu time spent up to now is 377.1 secs Computing kpt #: 227 total cpu time spent up to now is 378.7 secs Computing kpt #: 228 total cpu time spent up to now is 380.3 secs Computing kpt #: 229 total cpu time spent up to now is 382.1 secs Computing kpt #: 230 total cpu time spent up to now is 383.8 secs Computing kpt #: 231 total cpu time spent up to now is 386.6 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.6 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.2 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.2 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 401.9 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.5 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.2 secs Computing kpt #: 238 total cpu time spent up to now is 411.9 secs Computing kpt #: 239 total cpu time spent up to now is 413.4 secs Computing kpt #: 240 total cpu time spent up to now is 414.9 secs Computing kpt #: 241 total cpu time spent up to now is 416.4 secs Computing kpt #: 242 total cpu time spent up to now is 417.8 secs Computing kpt #: 243 total cpu time spent up to now is 419.3 secs Computing kpt #: 244 total cpu time spent up to now is 420.9 secs Computing kpt #: 245 total cpu time spent up to now is 422.3 secs Computing kpt #: 246 total cpu time spent up to now is 423.7 secs Computing kpt #: 247 total cpu time spent up to now is 425.4 secs Computing kpt #: 248 total cpu time spent up to now is 426.7 secs Computing kpt #: 249 total cpu time spent up to now is 428.1 secs Computing kpt #: 250 total cpu time spent up to now is 429.5 secs Computing kpt #: 251 total cpu time spent up to now is 430.8 secs Computing kpt #: 252 total cpu time spent up to now is 432.2 secs Computing kpt #: 253 total cpu time spent up to now is 433.7 secs Computing kpt #: 254 total cpu time spent up to now is 435.1 secs Computing kpt #: 255 total cpu time spent up to now is 436.6 secs Computing kpt #: 256 total cpu time spent up to now is 438.0 secs Computing kpt #: 257 total cpu time spent up to now is 439.6 secs Computing kpt #: 258 total cpu time spent up to now is 441.0 secs Computing kpt #: 259 total cpu time spent up to now is 442.4 secs Computing kpt #: 260 total cpu time spent up to now is 443.9 secs Computing kpt #: 261 total cpu time spent up to now is 445.3 secs Computing kpt #: 262 total cpu time spent up to now is 446.8 secs Computing kpt #: 263 total cpu time spent up to now is 448.4 secs Computing kpt #: 264 total cpu time spent up to now is 450.0 secs Computing kpt #: 265 total cpu time spent up to now is 451.8 secs Computing kpt #: 266 total cpu time spent up to now is 453.7 secs Computing kpt #: 267 total cpu time spent up to now is 455.7 secs Computing kpt #: 268 total cpu time spent up to now is 457.5 secs Computing kpt #: 269 total cpu time spent up to now is 459.4 secs Computing kpt #: 270 total cpu time spent up to now is 461.2 secs Computing kpt #: 271 total cpu time spent up to now is 462.8 secs Computing kpt #: 272 total cpu time spent up to now is 464.5 secs Computing kpt #: 273 total cpu time spent up to now is 466.5 secs Computing kpt #: 274 total cpu time spent up to now is 468.2 secs Computing kpt #: 275 total cpu time spent up to now is 469.9 secs Computing kpt #: 276 total cpu time spent up to now is 471.4 secs Computing kpt #: 277 total cpu time spent up to now is 472.8 secs Computing kpt #: 278 total cpu time spent up to now is 474.2 secs Computing kpt #: 279 total cpu time spent up to now is 475.6 secs Computing kpt #: 280 total cpu time spent up to now is 477.1 secs Computing kpt #: 281 total cpu time spent up to now is 478.5 secs Computing kpt #: 282 total cpu time spent up to now is 479.9 secs Computing kpt #: 283 total cpu time spent up to now is 481.3 secs Computing kpt #: 284 total cpu time spent up to now is 482.9 secs Computing kpt #: 285 total cpu time spent up to now is 484.4 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.4 secs Computing kpt #: 288 total cpu time spent up to now is 493.0 secs ethr = 2.08E-08, avg # of iterations = 33.3 total cpu time spent up to now is 493.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12427 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1544 -12.1544 -12.1055 -12.1055 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8472 -8.8472 -8.8204 -8.8204 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5836 -3.5836 -3.0545 -3.0545 -2.0446 -2.0446 -2.0190 -2.0190 -1.9508 -1.9508 -1.6425 -1.6425 1.3760 1.3760 2.0056 2.0056 3.0351 3.0351 3.4300 3.4300 3.9469 3.9469 k = 0.0172-0.0000-0.0000 ( 12441 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4367 -14.4367 -14.3273 -14.3273 -12.1543 -12.1543 -12.1055 -12.1055 -10.3976 -10.3975 -10.3089 -10.3089 -10.2600 -10.2600 -10.1463 -10.1463 -8.8472 -8.8472 -8.8204 -8.8204 -7.1317 -7.1316 -6.3487 -6.3486 -5.2498 -5.2486 -5.1873 -5.1871 -3.5835 -3.5835 -3.0546 -3.0546 -2.0497 -2.0412 -2.0295 -2.0213 -1.9417 -1.9408 -1.6420 -1.6418 1.3773 1.3773 2.0055 2.0057 3.0328 3.0329 3.4304 3.4309 3.9493 3.9498 k = 0.0345-0.0000-0.0000 ( 12431 PWs) bands (ev): -21.3242 -21.3242 -21.2574 -21.2574 -18.9293 -18.9293 -18.8869 -18.8869 -14.4389 -14.4388 -14.3288 -14.3287 -12.1540 -12.1540 -12.1056 -12.1056 -10.3929 -10.3928 -10.3093 -10.3093 -10.2603 -10.2603 -10.1415 -10.1414 -8.8472 -8.8472 -8.8204 -8.8204 -7.1314 -7.1311 -6.3490 -6.3486 -5.2612 -5.2588 -5.1880 -5.1878 -3.5833 -3.5832 -3.0549 -3.0549 -2.0612 -2.0488 -2.0362 -2.0249 -1.9203 -1.9191 -1.6401 -1.6397 1.3812 1.3812 2.0052 2.0056 3.0261 3.0263 3.4323 3.4332 3.9566 3.9576 k = 0.0517-0.0000-0.0000 ( 12433 PWs) bands (ev): -21.3241 -21.3241 -21.2572 -21.2572 -18.9292 -18.9292 -18.8868 -18.8868 -14.4425 -14.4425 -14.3312 -14.3311 -12.1535 -12.1535 -12.1057 -12.1057 -10.3851 -10.3850 -10.3100 -10.3100 -10.2608 -10.2608 -10.1335 -10.1334 -8.8472 -8.8472 -8.8205 -8.8205 -7.1309 -7.1304 -6.3493 -6.3488 -5.2780 -5.2749 -5.1905 -5.1905 -3.5829 -3.5829 -3.0555 -3.0554 -2.0790 -2.0698 -2.0302 -2.0229 -1.8938 -1.8924 -1.6370 -1.6363 1.3877 1.3878 2.0048 2.0054 3.0153 3.0156 3.4352 3.4366 3.9684 3.9701 k = 0.0690-0.0000-0.0000 ( 12425 PWs) bands (ev): -21.3238 -21.3238 -21.2570 -21.2570 -18.9292 -18.9292 -18.8868 -18.8868 -14.4475 -14.4474 -14.3345 -14.3344 -12.1528 -12.1528 -12.1058 -12.1058 -10.3743 -10.3742 -10.3109 -10.3109 -10.2614 -10.2614 -10.1223 -10.1223 -8.8473 -8.8473 -8.8206 -8.8206 -7.1302 -7.1296 -6.3498 -6.3491 -5.2995 -5.2956 -5.1959 -5.1956 -3.5825 -3.5824 -3.0562 -3.0561 -2.0992 -2.0912 -2.0222 -2.0169 -1.8648 -1.8630 -1.6327 -1.6317 1.3968 1.3969 2.0044 2.0051 3.0009 3.0013 3.4389 3.4406 3.9833 3.9863 k = 0.0862-0.0000-0.0000 ( 12435 PWs) bands (ev): -21.3235 -21.3235 -21.2567 -21.2567 -18.9291 -18.9291 -18.8867 -18.8867 -14.4538 -14.4537 -14.3387 -14.3386 -12.1520 -12.1520 -12.1059 -12.1059 -10.3606 -10.3605 -10.3121 -10.3121 -10.2623 -10.2623 -10.1083 -10.1082 -8.8474 -8.8474 -8.8208 -8.8208 -7.1293 -7.1285 -6.3504 -6.3496 -5.3247 -5.3203 -5.2043 -5.2036 -3.5818 -3.5817 -3.0571 -3.0571 -2.1198 -2.1123 -2.0122 -2.0081 -1.8342 -1.8320 -1.6272 -1.6260 1.4085 1.4085 2.0041 2.0050 2.9835 2.9840 3.4430 3.4450 3.9934 3.9950 k = 0.1034-0.0000-0.0000 ( 12427 PWs) bands (ev): -21.3231 -21.3231 -21.2564 -21.2564 -18.9290 -18.9290 -18.8866 -18.8866 -14.4612 -14.4611 -14.3437 -14.3436 -12.1510 -12.1510 -12.1061 -12.1061 -10.3441 -10.3440 -10.3135 -10.3135 -10.2633 -10.2633 -10.0914 -10.0913 -8.8475 -8.8475 -8.8209 -8.8209 -7.1282 -7.1273 -6.3512 -6.3502 -5.3532 -5.3483 -5.2160 -5.2148 -3.5811 -3.5810 -3.0582 -3.0581 -2.1402 -2.1330 -2.0002 -1.9969 -1.8024 -1.7997 -1.6206 -1.6191 1.4227 1.4227 2.0040 2.0051 2.9635 2.9641 3.4469 3.4492 3.9982 3.9991 k = 0.1207-0.0000-0.0000 ( 12431 PWs) bands (ev): -21.3226 -21.3226 -21.2560 -21.2560 -18.9289 -18.9289 -18.8865 -18.8865 -14.4697 -14.4696 -14.3495 -14.3494 -12.1499 -12.1499 -12.1063 -12.1063 -10.3252 -10.3252 -10.3148 -10.3148 -10.2645 -10.2645 -10.0719 -10.0717 -8.8476 -8.8475 -8.8211 -8.8211 -7.1271 -7.1260 -6.3521 -6.3509 -5.3845 -5.3792 -5.2306 -5.2291 -3.5802 -3.5801 -3.0595 -3.0594 -2.1602 -2.1531 -1.9865 -1.9836 -1.7698 -1.7665 -1.6130 -1.6111 1.4393 1.4394 2.0042 2.0055 2.9415 2.9421 3.4502 3.4527 4.0031 4.0040 k = 0.1379-0.0000-0.0000 ( 12441 PWs) bands (ev): -21.3221 -21.3221 -21.2555 -21.2555 -18.9287 -18.9287 -18.8864 -18.8864 -14.4792 -14.4791 -14.3560 -14.3559 -12.1487 -12.1487 -12.1066 -12.1066 -10.3175 -10.3175 -10.3028 -10.3026 -10.2658 -10.2658 -10.0499 -10.0497 -8.8477 -8.8477 -8.8214 -8.8214 -7.1258 -7.1246 -6.3532 -6.3519 -5.4181 -5.4124 -5.2483 -5.2463 -3.5792 -3.5791 -3.0609 -3.0608 -2.1798 -2.1727 -1.9709 -1.9685 -1.7367 -1.7326 -1.6045 -1.6022 1.4583 1.4584 2.0049 2.0064 2.9179 2.9186 3.4523 3.4550 4.0080 4.0096 k = 0.1552-0.0000-0.0000 ( 12433 PWs) bands (ev): -21.3215 -21.3215 -21.2551 -21.2551 -18.9286 -18.9286 -18.8863 -18.8863 -14.4894 -14.4893 -14.3632 -14.3631 -12.1474 -12.1474 -12.1068 -12.1068 -10.3193 -10.3193 -10.2791 -10.2789 -10.2673 -10.2672 -10.0257 -10.0255 -8.8478 -8.8478 -8.8216 -8.8216 -7.1246 -7.1232 -6.3546 -6.3531 -5.4537 -5.4477 -5.2686 -5.2663 -3.5781 -3.5779 -3.0625 -3.0623 -2.1989 -2.1918 -1.9538 -1.9517 -1.7033 -1.6985 -1.5953 -1.5924 1.4797 1.4798 2.0063 2.0079 2.8932 2.8939 3.4525 3.4553 4.0037 4.0089 k = 0.1724-0.0000-0.0000 ( 12436 PWs) bands (ev): -21.3209 -21.3209 -21.2545 -21.2545 -18.9284 -18.9284 -18.8862 -18.8862 -14.5003 -14.5001 -14.3709 -14.3708 -12.1460 -12.1460 -12.1071 -12.1071 -10.3214 -10.3214 -10.2689 -10.2689 -10.2530 -10.2529 -9.9996 -9.9994 -8.8479 -8.8479 -8.8218 -8.8218 -7.1234 -7.1219 -6.3562 -6.3545 -5.4908 -5.4845 -5.2912 -5.2886 -3.5769 -3.5767 -3.0641 -3.0640 -2.2175 -2.2105 -1.9351 -1.9332 -1.6701 -1.6642 -1.5855 -1.5817 1.5034 1.5034 2.0085 2.0103 2.8676 2.8683 3.4500 3.4529 3.9809 3.9848 k = 0.1897-0.0000-0.0000 ( 12452 PWs) bands (ev): -21.3203 -21.3203 -21.2540 -21.2540 -18.9283 -18.9283 -18.8861 -18.8861 -14.5116 -14.5115 -14.3790 -14.3789 -12.1446 -12.1446 -12.1074 -12.1074 -10.3237 -10.3237 -10.2706 -10.2705 -10.2252 -10.2251 -9.9718 -9.9716 -8.8481 -8.8481 -8.8221 -8.8221 -7.1224 -7.1207 -6.3580 -6.3562 -5.5290 -5.5225 -5.3159 -5.3130 -3.5756 -3.5754 -3.0658 -3.0657 -2.2358 -2.2289 -1.9151 -1.9134 -1.6376 -1.6302 -1.5750 -1.5699 1.5292 1.5293 2.0116 2.0135 2.8414 2.8421 3.4439 3.4467 3.9539 3.9573 k = 0.2069-0.0000-0.0000 ( 12468 PWs) bands (ev): -21.3196 -21.3196 -21.2534 -21.2534 -18.9281 -18.9281 -18.8859 -18.8859 -14.5234 -14.5232 -14.3875 -14.3874 -12.1431 -12.1431 -12.1077 -12.1076 -10.3261 -10.3261 -10.2723 -10.2723 -10.1959 -10.1958 -9.9426 -9.9424 -8.8482 -8.8482 -8.8224 -8.8224 -7.1215 -7.1197 -6.3602 -6.3583 -5.5678 -5.5612 -5.3423 -5.3392 -3.5742 -3.5740 -3.0677 -3.0675 -2.2536 -2.2468 -1.8939 -1.8924 -1.6068 -1.5971 -1.5639 -1.5566 1.5571 1.5572 2.0158 2.0178 2.8148 2.8155 3.4330 3.4358 3.9267 3.9298 k = 0.2241-0.0000-0.0000 ( 12468 PWs) bands (ev): -21.3189 -21.3189 -21.2528 -21.2528 -18.9279 -18.9279 -18.8858 -18.8858 -14.5353 -14.5351 -14.3963 -14.3961 -12.1417 -12.1417 -12.1080 -12.1079 -10.3286 -10.3286 -10.2741 -10.2741 -10.1653 -10.1652 -9.9123 -9.9121 -8.8484 -8.8484 -8.8227 -8.8227 -7.1208 -7.1190 -6.3626 -6.3606 -5.6070 -5.6003 -5.3700 -5.3666 -3.5728 -3.5726 -3.0695 -3.0694 -2.2710 -2.2643 -1.8717 -1.8703 -1.5796 -1.5669 -1.5503 -1.5401 1.5871 1.5871 2.0212 2.0234 2.7879 2.7885 3.4163 3.4191 3.9019 3.9045 k = 0.2414-0.0000-0.0000 ( 12460 PWs) bands (ev): -21.3182 -21.3182 -21.2522 -21.2522 -18.9277 -18.9277 -18.8857 -18.8857 -14.5473 -14.5471 -14.4051 -14.4050 -12.1402 -12.1402 -12.1083 -12.1082 -10.3311 -10.3311 -10.2759 -10.2759 -10.1338 -10.1336 -9.8813 -9.8811 -8.8485 -8.8485 -8.8230 -8.8230 -7.1204 -7.1185 -6.3654 -6.3633 -5.6460 -5.6392 -5.3985 -5.3950 -3.5713 -3.5711 -3.0714 -3.0713 -2.2879 -2.2815 -1.8487 -1.8475 -1.5585 -1.5480 -1.5265 -1.5185 1.6189 1.6189 2.0279 2.0302 2.7609 2.7614 3.3931 3.3957 3.8810 3.8833 k = 0.2586-0.0000-0.0000 ( 12458 PWs) bands (ev): -21.3175 -21.3175 -21.2516 -21.2516 -18.9276 -18.9276 -18.8855 -18.8855 -14.5592 -14.5590 -14.4140 -14.4139 -12.1388 -12.1388 -12.1086 -12.1086 -10.3336 -10.3336 -10.2778 -10.2778 -10.1017 -10.1015 -9.8499 -9.8497 -8.8487 -8.8487 -8.8232 -8.8232 -7.1204 -7.1184 -6.3686 -6.3664 -5.6844 -5.6777 -5.4274 -5.4239 -3.5698 -3.5696 -3.0733 -3.0731 -2.3044 -2.2981 -1.8251 -1.8239 -1.5430 -1.5363 -1.4968 -1.4926 1.6524 1.6525 2.0360 2.0384 2.7339 2.7342 3.3632 3.3656 3.8651 3.8669 k = 0.2759-0.0000-0.0000 ( 12444 PWs) bands (ev): -21.3168 -21.3168 -21.2510 -21.2510 -18.9274 -18.9274 -18.8854 -18.8854 -14.5709 -14.5707 -14.4229 -14.4227 -12.1373 -12.1373 -12.1089 -12.1089 -10.3361 -10.3361 -10.2796 -10.2796 -10.0693 -10.0691 -9.8184 -9.8183 -8.8488 -8.8488 -8.8235 -8.8235 -7.1207 -7.1187 -6.3720 -6.3698 -5.7220 -5.7153 -5.4564 -5.4528 -3.5682 -3.5680 -3.0751 -3.0750 -2.3203 -2.3143 -1.8011 -1.8000 -1.5307 -1.5261 -1.4673 -1.4653 1.6876 1.6876 2.0456 2.0480 2.7068 2.7070 3.3268 3.3290 3.8543 3.8557 k = 0.2931-0.0000-0.0000 ( 12452 PWs) bands (ev): -21.3161 -21.3161 -21.2504 -21.2504 -18.9272 -18.9272 -18.8852 -18.8852 -14.5822 -14.5821 -14.4315 -14.4314 -12.1360 -12.1360 -12.1092 -12.1092 -10.3385 -10.3385 -10.2814 -10.2814 -10.0371 -10.0369 -9.7873 -9.7872 -8.8490 -8.8490 -8.8238 -8.8238 -7.1214 -7.1193 -6.3758 -6.3735 -5.7582 -5.7516 -5.4850 -5.4814 -3.5667 -3.5665 -3.0769 -3.0768 -2.3355 -2.3299 -1.7768 -1.7759 -1.5202 -1.5168 -1.4391 -1.4383 1.7241 1.7241 2.0566 2.0591 2.6797 2.6797 3.2848 3.2868 3.8483 3.8494 k = 0.3103-0.0000-0.0000 ( 12450 PWs) bands (ev): -21.3155 -21.3155 -21.2498 -21.2498 -18.9270 -18.9270 -18.8851 -18.8851 -14.5932 -14.5930 -14.4399 -14.4397 -12.1347 -12.1346 -12.1095 -12.1095 -10.3409 -10.3409 -10.2832 -10.2832 -10.0054 -10.0052 -9.7569 -9.7568 -8.8491 -8.8491 -8.8240 -8.8240 -7.1224 -7.1204 -6.3799 -6.3776 -5.7927 -5.7864 -5.5127 -5.5092 -3.5652 -3.5650 -3.0787 -3.0786 -2.3501 -2.3448 -1.7527 -1.7518 -1.5111 -1.5084 -1.4125 -1.4124 1.7618 1.7618 2.0690 2.0716 2.6524 2.6526 3.2386 3.2403 3.8464 3.8471 k = 0.3276-0.0000-0.0000 ( 12438 PWs) bands (ev): -21.3148 -21.3148 -21.2493 -21.2492 -18.9269 -18.9269 -18.8850 -18.8850 -14.6035 -14.6034 -14.4478 -14.4477 -12.1334 -12.1334 -12.1098 -12.1098 -10.3432 -10.3432 -10.2849 -10.2849 -9.9746 -9.9744 -9.7276 -9.7274 -8.8492 -8.8492 -8.8243 -8.8243 -7.1239 -7.1219 -6.3842 -6.3819 -5.8253 -5.8193 -5.5393 -5.5359 -3.5637 -3.5635 -3.0804 -3.0803 -2.3638 -2.3589 -1.7288 -1.7280 -1.5032 -1.5011 -1.3881 -1.3877 1.8004 1.8005 2.0830 2.0856 2.6253 2.6256 3.1892 3.1908 3.8477 3.8482 k = 0.3448-0.0000-0.0000 ( 12442 PWs) bands (ev): -21.3142 -21.3142 -21.2487 -21.2487 -18.9267 -18.9267 -18.8849 -18.8849 -14.6132 -14.6131 -14.4553 -14.4552 -12.1322 -12.1322 -12.1102 -12.1101 -10.3453 -10.3453 -10.2865 -10.2865 -9.9451 -9.9450 -9.6997 -9.6995 -8.8494 -8.8494 -8.8245 -8.8245 -7.1256 -7.1237 -6.3887 -6.3865 -5.8556 -5.8499 -5.5644 -5.5611 -3.5623 -3.5621 -3.0820 -3.0819 -2.3767 -2.3721 -1.7054 -1.7047 -1.4965 -1.4948 -1.3655 -1.3649 1.8397 1.8397 2.0983 2.1010 2.5982 2.5988 3.1382 3.1396 3.8515 3.8517 k = 0.3621-0.0000-0.0000 ( 12456 PWs) bands (ev): -21.3137 -21.3136 -21.2482 -21.2482 -18.9266 -18.9266 -18.8847 -18.8847 -14.6221 -14.6220 -14.4623 -14.4622 -12.1311 -12.1311 -12.1105 -12.1105 -10.3473 -10.3473 -10.2880 -10.2880 -9.9173 -9.9172 -9.6736 -9.6734 -8.8495 -8.8495 -8.8247 -8.8247 -7.1276 -7.1258 -6.3932 -6.3911 -5.8833 -5.8780 -5.5875 -5.5845 -3.5610 -3.5608 -3.0834 -3.0833 -2.3885 -2.3844 -1.6828 -1.6821 -1.4912 -1.4898 -1.3450 -1.3443 1.8791 1.8792 2.1148 2.1175 2.5712 2.5720 3.0866 3.0878 3.8570 3.8570 k = 0.3793-0.0000-0.0000 ( 12468 PWs) bands (ev): -21.3131 -21.3131 -21.2478 -21.2478 -18.9265 -18.9265 -18.8846 -18.8846 -14.6302 -14.6301 -14.4686 -14.4685 -12.1302 -12.1301 -12.1108 -12.1108 -10.3491 -10.3491 -10.2893 -10.2893 -9.8917 -9.8916 -9.6496 -9.6495 -8.8496 -8.8496 -8.8249 -8.8249 -7.1298 -7.1282 -6.3976 -6.3957 -5.9082 -5.9034 -5.6085 -5.6058 -3.5597 -3.5596 -3.0848 -3.0847 -2.3992 -2.3955 -1.6612 -1.6606 -1.4873 -1.4861 -1.3266 -1.3258 1.9181 1.9182 2.1324 2.1351 2.5446 2.5456 3.0356 3.0367 3.8634 3.8635 k = 0.3966-0.0000-0.0000 ( 12444 PWs) bands (ev): -21.3127 -21.3127 -21.2474 -21.2474 -18.9263 -18.9263 -18.8845 -18.8845 -14.6373 -14.6372 -14.4742 -14.4741 -12.1292 -12.1292 -12.1111 -12.1111 -10.3507 -10.3507 -10.2905 -10.2905 -9.8685 -9.8684 -9.6281 -9.6280 -8.8497 -8.8497 -8.8251 -8.8251 -7.1320 -7.1305 -6.4019 -6.4001 -5.9301 -5.9259 -5.6271 -5.6247 -3.5586 -3.5585 -3.0859 -3.0859 -2.4086 -2.4054 -1.6409 -1.6404 -1.4848 -1.4838 -1.3105 -1.3097 1.9561 1.9563 2.1508 2.1535 2.5185 2.5196 2.9866 2.9876 3.8705 3.8707 k = 0.4138-0.0000-0.0000 ( 12458 PWs) bands (ev): -21.3123 -21.3123 -21.2471 -21.2471 -18.9262 -18.9262 -18.8845 -18.8845 -14.6435 -14.6434 -14.4790 -14.4790 -12.1285 -12.1285 -12.1113 -12.1113 -10.3521 -10.3521 -10.2915 -10.2915 -9.8482 -9.8481 -9.6093 -9.6092 -8.8498 -8.8498 -8.8252 -8.8252 -7.1341 -7.1329 -6.4058 -6.4043 -5.9489 -5.9452 -5.6431 -5.6410 -3.5577 -3.5576 -3.0870 -3.0869 -2.4168 -2.4141 -1.6223 -1.6218 -1.4836 -1.4828 -1.2967 -1.2960 1.9921 1.9923 2.1697 2.1722 2.4932 2.4945 2.9408 2.9416 3.8776 3.8779 k = 0.4310-0.0000-0.0000 ( 12442 PWs) bands (ev): -21.3119 -21.3119 -21.2468 -21.2468 -18.9262 -18.9262 -18.8844 -18.8844 -14.6486 -14.6485 -14.4831 -14.4830 -12.1278 -12.1278 -12.1115 -12.1115 -10.3532 -10.3532 -10.2924 -10.2924 -9.8310 -9.8309 -9.5936 -9.5935 -8.8498 -8.8498 -8.8254 -8.8254 -7.1361 -7.1351 -6.4093 -6.4080 -5.9643 -5.9613 -5.6564 -5.6546 -3.5569 -3.5568 -3.0878 -3.0878 -2.4235 -2.4213 -1.6056 -1.6051 -1.4837 -1.4830 -1.2853 -1.2847 2.0251 2.0253 2.1884 2.1908 2.4693 2.4706 2.8996 2.9002 3.8845 3.8847 k = 0.4483-0.0000-0.0000 ( 12434 PWs) bands (ev): -21.3117 -21.3117 -21.2465 -21.2465 -18.9261 -18.9261 -18.8843 -18.8843 -14.6526 -14.6525 -14.4863 -14.4862 -12.1273 -12.1273 -12.1117 -12.1117 -10.3541 -10.3541 -10.2931 -10.2931 -9.8174 -9.8173 -9.5811 -9.5810 -8.8499 -8.8499 -8.8254 -8.8254 -7.1377 -7.1369 -6.4121 -6.4111 -5.9763 -5.9740 -5.6667 -5.6654 -3.5562 -3.5562 -3.0885 -3.0884 -2.4288 -2.4271 -1.5914 -1.5910 -1.4847 -1.4841 -1.2764 -1.2759 2.0534 2.0536 2.2062 2.2082 2.4476 2.4488 2.8647 2.8652 3.8905 3.8907 k = 0.4655-0.0000-0.0000 ( 12434 PWs) bands (ev): -21.3115 -21.3115 -21.2464 -21.2464 -18.9260 -18.9260 -18.8843 -18.8843 -14.6555 -14.6554 -14.4886 -14.4885 -12.1269 -12.1269 -12.1119 -12.1119 -10.3548 -10.3548 -10.2936 -10.2936 -9.8074 -9.8074 -9.5720 -9.5720 -8.8499 -8.8499 -8.8255 -8.8255 -7.1390 -7.1384 -6.4141 -6.4134 -5.9848 -5.9833 -5.6741 -5.6732 -3.5557 -3.5557 -3.0890 -3.0889 -2.4325 -2.4314 -1.5803 -1.5800 -1.4862 -1.4858 -1.2700 -1.2697 2.0756 2.0757 2.2216 2.2232 2.4296 2.4306 2.8380 2.8383 3.8952 3.8954 k = 0.4828-0.0000-0.0000 ( 12420 PWs) bands (ev): -21.3114 -21.3114 -21.2463 -21.2463 -18.9260 -18.9260 -18.8843 -18.8843 -14.6572 -14.6572 -14.4899 -14.4899 -12.1266 -12.1266 -12.1120 -12.1120 -10.3552 -10.3552 -10.2939 -10.2939 -9.8014 -9.8014 -9.5665 -9.5665 -8.8499 -8.8499 -8.8256 -8.8256 -7.1397 -7.1394 -6.4153 -6.4150 -5.9898 -5.9890 -5.6785 -5.6780 -3.5555 -3.5554 -3.0892 -3.0892 -2.4346 -2.4341 -1.5731 -1.5729 -1.4876 -1.4874 -1.2661 -1.2659 2.0897 2.0898 2.2326 2.2335 2.4173 2.4179 2.8211 2.8212 3.8983 3.8984 k = 0.5000-0.0000-0.0000 ( 12414 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1266 -12.1266 -12.1120 -12.1120 -10.3553 -10.3553 -10.2940 -10.2940 -9.7994 -9.7994 -9.5647 -9.5647 -8.8499 -8.8499 -8.8256 -8.8256 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6798 -5.6798 -3.5554 -3.5554 -3.0893 -3.0893 -2.4352 -2.4352 -1.5705 -1.5705 -1.4881 -1.4881 -1.2647 -1.2647 2.0947 2.0947 2.2370 2.2370 2.4130 2.4130 2.8153 2.8153 3.8994 3.8994 k = 0.5000-0.0000-0.0000 ( 12414 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1266 -12.1266 -12.1120 -12.1120 -10.3553 -10.3553 -10.2940 -10.2940 -9.7994 -9.7994 -9.5647 -9.5647 -8.8499 -8.8499 -8.8256 -8.8256 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6798 -5.6798 -3.5554 -3.5554 -3.0893 -3.0893 -2.4352 -2.4352 -1.5705 -1.5705 -1.4881 -1.4881 -1.2647 -1.2647 2.0947 2.0947 2.2370 2.2370 2.4130 2.4130 2.8153 2.8153 3.8994 3.8994 k = 0.5000 0.0174-0.0000 ( 12432 PWs) bands (ev): -21.3112 -21.3112 -21.2463 -21.2463 -18.9259 -18.9259 -18.8843 -18.8843 -14.6576 -14.6576 -14.4906 -14.4906 -12.1266 -12.1266 -12.1120 -12.1120 -10.3552 -10.3552 -10.2941 -10.2941 -9.7990 -9.7990 -9.5650 -9.5650 -8.8499 -8.8499 -8.8256 -8.8256 -7.1389 -7.1389 -6.4167 -6.4167 -5.9908 -5.9908 -5.6803 -5.6803 -3.5547 -3.5547 -3.0900 -3.0900 -2.4335 -2.4335 -1.5704 -1.5704 -1.4881 -1.4881 -1.2664 -1.2664 2.0952 2.0952 2.2368 2.2368 2.4139 2.4139 2.8165 2.8165 3.8956 3.8956 k = 0.5000 0.0348-0.0000 ( 12426 PWs) bands (ev): -21.3110 -21.3110 -21.2466 -21.2466 -18.9258 -18.9258 -18.8845 -18.8845 -14.6569 -14.6569 -14.4914 -14.4914 -12.1265 -12.1265 -12.1121 -12.1121 -10.3550 -10.3550 -10.2943 -10.2943 -9.7980 -9.7980 -9.5659 -9.5659 -8.8498 -8.8498 -8.8257 -8.8257 -7.1362 -7.1362 -6.4202 -6.4202 -5.9897 -5.9897 -5.6819 -5.6819 -3.5529 -3.5529 -3.0922 -3.0922 -2.4286 -2.4286 -1.5700 -1.5700 -1.4884 -1.4884 -1.2715 -1.2715 2.0969 2.0969 2.2362 2.2362 2.4166 2.4166 2.8201 2.8201 3.8842 3.8842 k = 0.5000 0.0522-0.0000 ( 12426 PWs) bands (ev): -21.3105 -21.3105 -21.2471 -21.2471 -18.9255 -18.9255 -18.8848 -18.8848 -14.6558 -14.6558 -14.4926 -14.4926 -12.1265 -12.1265 -12.1122 -12.1122 -10.3545 -10.3545 -10.2948 -10.2948 -9.7963 -9.7963 -9.5675 -9.5675 -8.8496 -8.8496 -8.8259 -8.8259 -7.1318 -7.1318 -6.4259 -6.4259 -5.9879 -5.9879 -5.6845 -5.6845 -3.5499 -3.5499 -3.0957 -3.0957 -2.4205 -2.4205 -1.5694 -1.5694 -1.4888 -1.4888 -1.2799 -1.2799 2.0997 2.0997 2.2352 2.2352 2.4210 2.4210 2.8261 2.8261 3.8657 3.8657 k = 0.5000 0.0696-0.0000 ( 12430 PWs) bands (ev): -21.3099 -21.3099 -21.2477 -21.2477 -18.9251 -18.9251 -18.8852 -18.8852 -14.6542 -14.6542 -14.4942 -14.4942 -12.1264 -12.1264 -12.1124 -12.1124 -10.3540 -10.3540 -10.2954 -10.2954 -9.7939 -9.7939 -9.5696 -9.5696 -8.8494 -8.8494 -8.8261 -8.8261 -7.1255 -7.1255 -6.4338 -6.4338 -5.9853 -5.9853 -5.6882 -5.6882 -3.5457 -3.5457 -3.1006 -3.1006 -2.4092 -2.4092 -1.5686 -1.5686 -1.4894 -1.4894 -1.2916 -1.2916 2.1035 2.1035 2.2339 2.2339 2.4274 2.4274 2.8344 2.8344 3.8407 3.8407 k = 0.5000 0.0870-0.0000 ( 12434 PWs) bands (ev): -21.3091 -21.3091 -21.2485 -21.2485 -18.9246 -18.9246 -18.8857 -18.8857 -14.6522 -14.6522 -14.4963 -14.4963 -12.1263 -12.1263 -12.1127 -12.1127 -10.3532 -10.3532 -10.2961 -10.2961 -9.7908 -9.7908 -9.5724 -9.5724 -8.8491 -8.8491 -8.8264 -8.8264 -7.1176 -7.1176 -6.4439 -6.4439 -5.9820 -5.9820 -5.6929 -5.6929 -3.5403 -3.5403 -3.1068 -3.1068 -2.3948 -2.3948 -1.5675 -1.5675 -1.4901 -1.4901 -1.3065 -1.3065 2.1081 2.1081 2.2322 2.2322 2.4357 2.4357 2.8449 2.8449 3.8099 3.8099 k = 0.5000 0.1044-0.0000 ( 12432 PWs) bands (ev): -21.3082 -21.3082 -21.2495 -21.2495 -18.9240 -18.9240 -18.8864 -18.8864 -14.6497 -14.6497 -14.4989 -14.4989 -12.1262 -12.1262 -12.1130 -12.1130 -10.3523 -10.3523 -10.2970 -10.2970 -9.7871 -9.7871 -9.5757 -9.5757 -8.8488 -8.8488 -8.8268 -8.8268 -7.1079 -7.1079 -6.4561 -6.4561 -5.9779 -5.9779 -5.6984 -5.6984 -3.5338 -3.5338 -3.1143 -3.1143 -2.3774 -2.3774 -1.5663 -1.5663 -1.4910 -1.4910 -1.3244 -1.3244 2.1133 2.1133 2.2302 2.2302 2.4461 2.4461 2.8575 2.8575 3.7743 3.7743 k = 0.5000 0.1219-0.0000 ( 12428 PWs) bands (ev): -21.3070 -21.3070 -21.2507 -21.2507 -18.9232 -18.9232 -18.8871 -18.8871 -14.6468 -14.6468 -14.5019 -14.5019 -12.1260 -12.1260 -12.1133 -12.1133 -10.3512 -10.3512 -10.2981 -10.2981 -9.7828 -9.7828 -9.5797 -9.5797 -8.8484 -8.8484 -8.8273 -8.8273 -7.0966 -7.0966 -6.4702 -6.4702 -5.9732 -5.9732 -5.7049 -5.7049 -3.5262 -3.5262 -3.1231 -3.1231 -2.3571 -2.3571 -1.5649 -1.5649 -1.4921 -1.4921 -1.3453 -1.3453 2.1191 2.1191 2.2281 2.2281 2.4587 2.4587 2.8720 2.8720 3.7348 3.7348 k = 0.5000 0.1393-0.0000 ( 12448 PWs) bands (ev): -21.3058 -21.3058 -21.2520 -21.2520 -18.9224 -18.9224 -18.8879 -18.8879 -14.6436 -14.6436 -14.5053 -14.5053 -12.1258 -12.1258 -12.1137 -12.1137 -10.3500 -10.3500 -10.2993 -10.2993 -9.7780 -9.7780 -9.5841 -9.5841 -8.8480 -8.8480 -8.8278 -8.8278 -7.0836 -7.0836 -6.4863 -6.4863 -5.9678 -5.9678 -5.7122 -5.7122 -3.5175 -3.5175 -3.1330 -3.1330 -2.3340 -2.3340 -1.5633 -1.5633 -1.4934 -1.4934 -1.3690 -1.3690 2.1253 2.1253 2.2257 2.2257 2.4736 2.4736 2.8882 2.8882 3.6925 3.6925 k = 0.5000 0.1567-0.0000 ( 12454 PWs) bands (ev): -21.3043 -21.3043 -21.2534 -21.2534 -18.9215 -18.9215 -18.8889 -18.8889 -14.6400 -14.6400 -14.5091 -14.5091 -12.1256 -12.1256 -12.1141 -12.1141 -10.3486 -10.3486 -10.3006 -10.3006 -9.7726 -9.7726 -9.5891 -9.5891 -8.8474 -8.8474 -8.8284 -8.8284 -7.0691 -7.0691 -6.5040 -6.5040 -5.9618 -5.9618 -5.7202 -5.7202 -3.5078 -3.5078 -3.1440 -3.1440 -2.3082 -2.3082 -1.5617 -1.5617 -1.4948 -1.4948 -1.3951 -1.3951 2.1316 2.1316 2.2232 2.2232 2.4909 2.4909 2.9058 2.9058 3.6483 3.6483 k = 0.5000 0.1741-0.0000 ( 12442 PWs) bands (ev): -21.3028 -21.3028 -21.2550 -21.2550 -18.9205 -18.9205 -18.8899 -18.8899 -14.6360 -14.6360 -14.5133 -14.5133 -12.1254 -12.1254 -12.1146 -12.1146 -10.3471 -10.3471 -10.3021 -10.3021 -9.7666 -9.7666 -9.5946 -9.5946 -8.8469 -8.8469 -8.8290 -8.8290 -7.0530 -7.0530 -6.5235 -6.5235 -5.9551 -5.9551 -5.7289 -5.7289 -3.4970 -3.4970 -3.1561 -3.1561 -2.2800 -2.2800 -1.5601 -1.5601 -1.4966 -1.4966 -1.4235 -1.4235 2.1379 2.1379 2.2206 2.2206 2.5106 2.5106 2.9244 2.9244 3.6035 3.6035 k = 0.5000 0.1915-0.0000 ( 12436 PWs) bands (ev): -21.3011 -21.3011 -21.2568 -21.2568 -18.9194 -18.9194 -18.8910 -18.8910 -14.6316 -14.6316 -14.5178 -14.5178 -12.1251 -12.1251 -12.1151 -12.1151 -10.3455 -10.3455 -10.3037 -10.3037 -9.7602 -9.7602 -9.6006 -9.6006 -8.8463 -8.8463 -8.8297 -8.8297 -7.0355 -7.0355 -6.5443 -6.5443 -5.9478 -5.9478 -5.7383 -5.7383 -3.4853 -3.4853 -3.1692 -3.1692 -2.2495 -2.2495 -1.5589 -1.5589 -1.4986 -1.4986 -1.4536 -1.4536 2.1442 2.1442 2.2179 2.2179 2.5327 2.5327 2.9432 2.9432 3.5592 3.5592 k = 0.5000 0.2089-0.0000 ( 12444 PWs) bands (ev): -21.2992 -21.2992 -21.2587 -21.2587 -18.9182 -18.9182 -18.8922 -18.8922 -14.6270 -14.6270 -14.5226 -14.5226 -12.1248 -12.1248 -12.1156 -12.1156 -10.3437 -10.3437 -10.3055 -10.3055 -9.7533 -9.7533 -9.6070 -9.6070 -8.8456 -8.8456 -8.8304 -8.8304 -7.0167 -7.0167 -6.5666 -6.5666 -5.9399 -5.9399 -5.7481 -5.7481 -3.4728 -3.4728 -3.1830 -3.1830 -2.2168 -2.2168 -1.5588 -1.5588 -1.5019 -1.5019 -1.4834 -1.4834 2.1501 2.1501 2.2152 2.2152 2.5574 2.5574 2.9613 2.9613 3.5168 3.5168 k = 0.5000 0.2263-0.0000 ( 12442 PWs) bands (ev): -21.2973 -21.2973 -21.2606 -21.2606 -18.9170 -18.9170 -18.8934 -18.8934 -14.6220 -14.6220 -14.5277 -14.5277 -12.1245 -12.1245 -12.1162 -12.1162 -10.3419 -10.3419 -10.3073 -10.3073 -9.7460 -9.7460 -9.6139 -9.6139 -8.8449 -8.8449 -8.8312 -8.8312 -6.9965 -6.9965 -6.5900 -6.5900 -5.9315 -5.9315 -5.7585 -5.7585 -3.4594 -3.4594 -3.1977 -3.1977 -2.1822 -2.1822 -1.5629 -1.5629 -1.5165 -1.5165 -1.4997 -1.4997 2.1558 2.1558 2.2124 2.2124 2.5844 2.5844 2.9775 2.9775 3.4782 3.4782 k = 0.5000 0.2437-0.0000 ( 12436 PWs) bands (ev): -21.2953 -21.2953 -21.2627 -21.2627 -18.9156 -18.9156 -18.8948 -18.8948 -14.6168 -14.6168 -14.5331 -14.5331 -12.1241 -12.1241 -12.1168 -12.1168 -10.3399 -10.3399 -10.3092 -10.3092 -9.7384 -9.7384 -9.6211 -9.6211 -8.8442 -8.8442 -8.8320 -8.8320 -6.9751 -6.9751 -6.6144 -6.6144 -5.9226 -5.9226 -5.7692 -5.7692 -3.4453 -3.4453 -3.2130 -3.2130 -2.1458 -2.1458 -1.5804 -1.5804 -1.5323 -1.5323 -1.5032 -1.5032 2.1612 2.1612 2.2097 2.2097 2.6138 2.6138 2.9898 2.9898 3.4455 3.4455 k = 0.5000 0.2611-0.0000 ( 12448 PWs) bands (ev): -21.2931 -21.2931 -21.2649 -21.2649 -18.9143 -18.9143 -18.8962 -18.8962 -14.6113 -14.6113 -14.5387 -14.5387 -12.1238 -12.1238 -12.1173 -12.1173 -10.3379 -10.3379 -10.3113 -10.3113 -9.7304 -9.7304 -9.6287 -9.6287 -8.8434 -8.8434 -8.8328 -8.8328 -6.9526 -6.9526 -6.6397 -6.6397 -5.9132 -5.9132 -5.7802 -5.7802 -3.4304 -3.4304 -3.2290 -3.2290 -2.1079 -2.1079 -1.6122 -1.6122 -1.5361 -1.5361 -1.5059 -1.5059 2.1662 2.1662 2.2069 2.2069 2.6454 2.6454 2.9960 2.9960 3.4214 3.4214 k = 0.5000 0.2785-0.0000 ( 12448 PWs) bands (ev): -21.2909 -21.2909 -21.2671 -21.2671 -18.9129 -18.9129 -18.8976 -18.8976 -14.6056 -14.6056 -14.5445 -14.5445 -12.1233 -12.1233 -12.1179 -12.1179 -10.3358 -10.3358 -10.3133 -10.3133 -9.7222 -9.7222 -9.6365 -9.6365 -8.8426 -8.8426 -8.8336 -8.8336 -6.9291 -6.9291 -6.6657 -6.6657 -5.9033 -5.9033 -5.7915 -5.7915 -3.4150 -3.4150 -3.2454 -3.2454 -2.0685 -2.0685 -1.6497 -1.6497 -1.5356 -1.5356 -1.5086 -1.5086 2.1708 2.1708 2.2041 2.2042 2.6789 2.6789 2.9938 2.9938 3.4084 3.4084 k = 0.5000 0.2959-0.0000 ( 12452 PWs) bands (ev): -21.2886 -21.2886 -21.2694 -21.2694 -18.9114 -18.9114 -18.8991 -18.8991 -14.5998 -14.5998 -14.5505 -14.5505 -12.1229 -12.1229 -12.1185 -12.1185 -10.3336 -10.3336 -10.3155 -10.3155 -9.7138 -9.7138 -9.6447 -9.6447 -8.8417 -8.8417 -8.8345 -8.8345 -6.9047 -6.9047 -6.6923 -6.6923 -5.8931 -5.8931 -5.8029 -5.8029 -3.3990 -3.3990 -3.2622 -3.2622 -2.0280 -2.0280 -1.6897 -1.6897 -1.5337 -1.5337 -1.5113 -1.5113 2.1751 2.1751 2.2014 2.2014 2.7141 2.7141 2.9820 2.9820 3.4078 3.4078 k = 0.5000 0.3133-0.0000 ( 12458 PWs) bands (ev): -21.2863 -21.2863 -21.2718 -21.2718 -18.9099 -18.9099 -18.9006 -18.9006 -14.5938 -14.5938 -14.5566 -14.5566 -12.1224 -12.1224 -12.1191 -12.1191 -10.3314 -10.3314 -10.3177 -10.3177 -9.7052 -9.7052 -9.6530 -9.6530 -8.8409 -8.8409 -8.8354 -8.8354 -6.8795 -6.8795 -6.7191 -6.7191 -5.8825 -5.8825 -5.8145 -5.8145 -3.3826 -3.3826 -3.2793 -3.2793 -1.9866 -1.9866 -1.7310 -1.7310 -1.5312 -1.5312 -1.5141 -1.5141 2.1791 2.1791 2.1985 2.1985 2.7507 2.7507 2.9611 2.9611 3.4193 3.4193 k = 0.5000 0.3308-0.0000 ( 12474 PWs) bands (ev): -21.2839 -21.2839 -21.2742 -21.2742 -18.9084 -18.9084 -18.9021 -18.9021 -14.5877 -14.5877 -14.5627 -14.5627 -12.1219 -12.1219 -12.1197 -12.1197 -10.3291 -10.3291 -10.3200 -10.3200 -9.6965 -9.6965 -9.6616 -9.6616 -8.8400 -8.8400 -8.8363 -8.8363 -6.8536 -6.8536 -6.7462 -6.7462 -5.8716 -5.8716 -5.8261 -5.8261 -3.3658 -3.3658 -3.2966 -3.2966 -1.9444 -1.9444 -1.7732 -1.7732 -1.5285 -1.5285 -1.5169 -1.5169 2.1828 2.1828 2.1956 2.1956 2.7883 2.7883 2.9329 2.9329 3.4411 3.4411 k = 0.5000 0.3482-0.0000 ( 12482 PWs) bands (ev): -21.2815 -21.2815 -21.2766 -21.2766 -18.9068 -18.9068 -18.9037 -18.9037 -14.5815 -14.5815 -14.5690 -14.5690 -12.1214 -12.1214 -12.1203 -12.1203 -10.3268 -10.3268 -10.3223 -10.3223 -9.6878 -9.6878 -9.6703 -9.6703 -8.8391 -8.8391 -8.8373 -8.8373 -6.8272 -6.8272 -6.7734 -6.7734 -5.8605 -5.8605 -5.8376 -5.8376 -3.3487 -3.3487 -3.3140 -3.3140 -1.9018 -1.9018 -1.8159 -1.8159 -1.5257 -1.5257 -1.5198 -1.5198 2.1863 2.1863 2.1927 2.1927 2.8262 2.8262 2.8999 2.8999 3.4711 3.4711 k = 0.5000 0.3656-0.0000 ( 12476 PWs) bands (ev): -21.2791 -21.2791 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1209 -12.1209 -12.1208 -12.1208 -10.3246 -10.3246 -10.3245 -10.3245 -9.6790 -9.6790 -9.6790 -9.6790 -8.8382 -8.8382 -8.8382 -8.8382 -6.8005 -6.8005 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3314 -3.3314 -3.3314 -3.3314 -1.8588 -1.8588 -1.8588 -1.8588 -1.5228 -1.5228 -1.5228 -1.5228 2.1895 2.1895 2.1896 2.1896 2.8637 2.8637 2.8639 2.8639 3.5072 3.5074 k = 0.5000 0.3656-0.0000 ( 12476 PWs) bands (ev): -21.2791 -21.2791 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1209 -12.1209 -12.1208 -12.1208 -10.3246 -10.3246 -10.3245 -10.3245 -9.6790 -9.6790 -9.6790 -9.6790 -8.8382 -8.8382 -8.8382 -8.8382 -6.8005 -6.8005 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3314 -3.3314 -3.3314 -3.3314 -1.8588 -1.8588 -1.8588 -1.8588 -1.5228 -1.5228 -1.5228 -1.5228 2.1895 2.1895 2.1896 2.1896 2.8637 2.8637 2.8639 2.8639 3.5072 3.5073 k = 0.4828 0.3656-0.0000 ( 12478 PWs) bands (ev): -21.2791 -21.2791 -21.2791 -21.2791 -18.9053 -18.9053 -18.9052 -18.9052 -14.5747 -14.5747 -14.5747 -14.5747 -12.1209 -12.1209 -12.1209 -12.1209 -10.3245 -10.3245 -10.3244 -10.3244 -9.6810 -9.6810 -9.6810 -9.6810 -8.8382 -8.8382 -8.8382 -8.8382 -6.8002 -6.8002 -6.7999 -6.7999 -5.8477 -5.8477 -5.8471 -5.8471 -3.3314 -3.3314 -3.3314 -3.3314 -1.8591 -1.8591 -1.8587 -1.8587 -1.5237 -1.5237 -1.5237 -1.5237 2.1878 2.1879 2.1879 2.1881 2.8615 2.8617 2.8618 2.8620 3.5119 3.5120 k = 0.4655 0.3656-0.0000 ( 12470 PWs) bands (ev): -21.2792 -21.2792 -21.2792 -21.2792 -18.9053 -18.9053 -18.9053 -18.9053 -14.5731 -14.5731 -14.5731 -14.5731 -12.1209 -12.1209 -12.1209 -12.1209 -10.3241 -10.3241 -10.3241 -10.3241 -9.6868 -9.6868 -9.6868 -9.6868 -8.8381 -8.8381 -8.8381 -8.8381 -6.7992 -6.7992 -6.7986 -6.7986 -5.8429 -5.8429 -5.8417 -5.8417 -3.3315 -3.3315 -3.3315 -3.3315 -1.8596 -1.8596 -1.8587 -1.8587 -1.5266 -1.5266 -1.5264 -1.5264 2.1828 2.1830 2.1831 2.1833 2.8556 2.8559 2.8560 2.8563 3.5256 3.5258 k = 0.4483 0.3656-0.0000 ( 12450 PWs) bands (ev): -21.2794 -21.2794 -21.2794 -21.2794 -18.9053 -18.9053 -18.9053 -18.9053 -14.5705 -14.5705 -14.5705 -14.5705 -12.1210 -12.1210 -12.1210 -12.1210 -10.3235 -10.3235 -10.3235 -10.3235 -9.6964 -9.6964 -9.6964 -9.6964 -8.8381 -8.8381 -8.8381 -8.8381 -6.7975 -6.7974 -6.7966 -6.7966 -5.8347 -5.8347 -5.8330 -5.8329 -3.3317 -3.3317 -3.3316 -3.3316 -1.8602 -1.8602 -1.8589 -1.8589 -1.5312 -1.5312 -1.5310 -1.5310 2.1748 2.1750 2.1752 2.1754 2.8464 2.8467 2.8470 2.8473 3.5479 3.5480 k = 0.4310 0.3656-0.0000 ( 12442 PWs) bands (ev): -21.2796 -21.2796 -21.2796 -21.2796 -18.9054 -18.9054 -18.9054 -18.9054 -14.5669 -14.5669 -14.5669 -14.5668 -12.1212 -12.1212 -12.1212 -12.1212 -10.3227 -10.3227 -10.3227 -10.3227 -9.7097 -9.7097 -9.7097 -9.7097 -8.8380 -8.8380 -8.8380 -8.8380 -6.7952 -6.7951 -6.7941 -6.7940 -5.8231 -5.8231 -5.8209 -5.8209 -3.3319 -3.3319 -3.3318 -3.3318 -1.8611 -1.8610 -1.8593 -1.8593 -1.5377 -1.5377 -1.5374 -1.5374 2.1639 2.1641 2.1644 2.1646 2.8347 2.8350 2.8355 2.8358 3.5776 3.5778 k = 0.4138 0.3656-0.0000 ( 12434 PWs) bands (ev): -21.2799 -21.2799 -21.2799 -21.2799 -18.9055 -18.9055 -18.9054 -18.9054 -14.5623 -14.5623 -14.5622 -14.5622 -12.1214 -12.1214 -12.1214 -12.1214 -10.3217 -10.3217 -10.3216 -10.3216 -9.7264 -9.7264 -9.7264 -9.7264 -8.8379 -8.8379 -8.8379 -8.8379 -6.7923 -6.7923 -6.7910 -6.7910 -5.8083 -5.8083 -5.8056 -5.8056 -3.3322 -3.3322 -3.3321 -3.3321 -1.8621 -1.8621 -1.8600 -1.8600 -1.5458 -1.5458 -1.5454 -1.5454 2.1504 2.1506 2.1510 2.1512 2.8213 2.8216 2.8223 2.8226 3.6137 3.6139 k = 0.3966 0.3656-0.0000 ( 12434 PWs) bands (ev): -21.2803 -21.2803 -21.2803 -21.2803 -18.9055 -18.9055 -18.9055 -18.9055 -14.5568 -14.5568 -14.5567 -14.5567 -12.1216 -12.1216 -12.1216 -12.1216 -10.3205 -10.3205 -10.3204 -10.3204 -9.7462 -9.7462 -9.7462 -9.7462 -8.8378 -8.8378 -8.8377 -8.8377 -6.7892 -6.7892 -6.7877 -6.7877 -5.7904 -5.7904 -5.7872 -5.7872 -3.3325 -3.3325 -3.3324 -3.3324 -1.8635 -1.8635 -1.8610 -1.8609 -1.5554 -1.5554 -1.5550 -1.5550 2.1347 2.1348 2.1353 2.1355 2.8069 2.8072 2.8081 2.8084 3.6552 3.6554 k = 0.3793 0.3656-0.0000 ( 12462 PWs) bands (ev): -21.2807 -21.2807 -21.2807 -21.2807 -18.9057 -18.9057 -18.9056 -18.9056 -14.5504 -14.5504 -14.5503 -14.5503 -12.1219 -12.1219 -12.1219 -12.1219 -10.3191 -10.3191 -10.3190 -10.3190 -9.7689 -9.7689 -9.7689 -9.7689 -8.8376 -8.8376 -8.8376 -8.8376 -6.7858 -6.7858 -6.7841 -6.7841 -5.7696 -5.7695 -5.7659 -5.7659 -3.3329 -3.3329 -3.3327 -3.3327 -1.8652 -1.8651 -1.8623 -1.8623 -1.5666 -1.5665 -1.5661 -1.5661 2.1170 2.1172 2.1177 2.1179 2.7922 2.7925 2.7936 2.7939 3.7011 3.7012 k = 0.3621 0.3656-0.0000 ( 12450 PWs) bands (ev): -21.2812 -21.2812 -21.2812 -21.2812 -18.9058 -18.9058 -18.9057 -18.9057 -14.5432 -14.5432 -14.5431 -14.5431 -12.1222 -12.1222 -12.1222 -12.1222 -10.3175 -10.3175 -10.3174 -10.3174 -9.7941 -9.7941 -9.7941 -9.7941 -8.8375 -8.8375 -8.8375 -8.8375 -6.7824 -6.7824 -6.7806 -6.7805 -5.7459 -5.7459 -5.7419 -5.7419 -3.3333 -3.3333 -3.3331 -3.3331 -1.8672 -1.8672 -1.8640 -1.8640 -1.5789 -1.5789 -1.5784 -1.5784 2.0978 2.0980 2.0986 2.0988 2.7777 2.7780 2.7793 2.7795 3.7503 3.7504 k = 0.3448 0.3656-0.0000 ( 12448 PWs) bands (ev): -21.2817 -21.2817 -21.2817 -21.2817 -18.9059 -18.9059 -18.9059 -18.9059 -14.5352 -14.5352 -14.5351 -14.5351 -12.1226 -12.1225 -12.1225 -12.1225 -10.3157 -10.3157 -10.3157 -10.3157 -9.8215 -9.8215 -9.8215 -9.8215 -8.8373 -8.8373 -8.8373 -8.8373 -6.7790 -6.7790 -6.7771 -6.7770 -5.7197 -5.7196 -5.7154 -5.7154 -3.3337 -3.3337 -3.3336 -3.3336 -1.8697 -1.8697 -1.8661 -1.8661 -1.5924 -1.5924 -1.5918 -1.5918 2.0775 2.0777 2.0783 2.0785 2.7637 2.7640 2.7654 2.7657 3.8020 3.8022 k = 0.3276 0.3656-0.0000 ( 12438 PWs) bands (ev): -21.2823 -21.2823 -21.2823 -21.2823 -18.9060 -18.9060 -18.9060 -18.9060 -14.5266 -14.5266 -14.5265 -14.5264 -12.1229 -12.1229 -12.1229 -12.1229 -10.3139 -10.3139 -10.3138 -10.3138 -9.8506 -9.8506 -9.8506 -9.8506 -8.8371 -8.8371 -8.8371 -8.8371 -6.7758 -6.7757 -6.7738 -6.7737 -5.6912 -5.6911 -5.6866 -5.6866 -3.3342 -3.3342 -3.3340 -3.3340 -1.8726 -1.8726 -1.8688 -1.8688 -1.6069 -1.6069 -1.6062 -1.6062 2.0564 2.0566 2.0572 2.0574 2.7505 2.7508 2.7524 2.7527 3.8553 3.8554 k = 0.3103 0.3656-0.0000 ( 12434 PWs) bands (ev): -21.2829 -21.2829 -21.2829 -21.2829 -18.9062 -18.9062 -18.9062 -18.9062 -14.5174 -14.5174 -14.5172 -14.5172 -12.1233 -12.1233 -12.1233 -12.1233 -10.3119 -10.3119 -10.3118 -10.3118 -9.8811 -9.8811 -9.8811 -9.8811 -8.8369 -8.8369 -8.8369 -8.8369 -6.7728 -6.7727 -6.7707 -6.7707 -5.6607 -5.6607 -5.6559 -5.6559 -3.3347 -3.3347 -3.3345 -3.3345 -1.8761 -1.8761 -1.8720 -1.8720 -1.6221 -1.6221 -1.6214 -1.6214 2.0349 2.0351 2.0357 2.0359 2.7384 2.7386 2.7404 2.7406 3.9094 3.9095 k = 0.2931 0.3656-0.0000 ( 12406 PWs) bands (ev): -21.2835 -21.2835 -21.2835 -21.2835 -18.9063 -18.9063 -18.9063 -18.9063 -14.5077 -14.5077 -14.5076 -14.5075 -12.1238 -12.1237 -12.1237 -12.1237 -10.3098 -10.3098 -10.3098 -10.3098 -9.9125 -9.9125 -9.9125 -9.9125 -8.8367 -8.8367 -8.8367 -8.8367 -6.7701 -6.7701 -6.7680 -6.7680 -5.6286 -5.6285 -5.6237 -5.6237 -3.3352 -3.3352 -3.3350 -3.3350 -1.8801 -1.8801 -1.8758 -1.8757 -1.6379 -1.6379 -1.6371 -1.6371 2.0133 2.0135 2.0141 2.0143 2.7274 2.7276 2.7295 2.7297 3.9633 3.9634 k = 0.2759 0.3656-0.0000 ( 12408 PWs) bands (ev): -21.2842 -21.2842 -21.2842 -21.2841 -18.9065 -18.9065 -18.9065 -18.9065 -14.4976 -14.4976 -14.4975 -14.4975 -12.1242 -12.1242 -12.1242 -12.1242 -10.3077 -10.3077 -10.3076 -10.3076 -9.9446 -9.9446 -9.9446 -9.9446 -8.8365 -8.8365 -8.8365 -8.8365 -6.7677 -6.7677 -6.7657 -6.7657 -5.5952 -5.5952 -5.5902 -5.5902 -3.3358 -3.3358 -3.3356 -3.3356 -1.8846 -1.8846 -1.8801 -1.8801 -1.6541 -1.6540 -1.6533 -1.6532 1.9919 1.9921 1.9926 1.9928 2.7176 2.7179 2.7198 2.7201 4.0161 4.0166 k = 0.2586 0.3656-0.0000 ( 12430 PWs) bands (ev): -21.2848 -21.2848 -21.2848 -21.2848 -18.9066 -18.9066 -18.9066 -18.9066 -14.4873 -14.4873 -14.4872 -14.4872 -12.1247 -12.1247 -12.1247 -12.1247 -10.3055 -10.3055 -10.3055 -10.3055 -9.9770 -9.9770 -9.9770 -9.9770 -8.8363 -8.8363 -8.8363 -8.8363 -6.7658 -6.7657 -6.7638 -6.7637 -5.5609 -5.5609 -5.5559 -5.5559 -3.3363 -3.3363 -3.3361 -3.3361 -1.8896 -1.8896 -1.8850 -1.8850 -1.6704 -1.6704 -1.6696 -1.6696 1.9709 1.9711 1.9716 1.9718 2.7092 2.7095 2.7115 2.7117 4.0669 4.0669 k = 0.2414 0.3656-0.0000 ( 12424 PWs) bands (ev): -21.2855 -21.2855 -21.2855 -21.2855 -18.9068 -18.9068 -18.9068 -18.9068 -14.4769 -14.4769 -14.4767 -14.4767 -12.1252 -12.1252 -12.1252 -12.1252 -10.3033 -10.3033 -10.3033 -10.3033 -10.0092 -10.0092 -10.0091 -10.0091 -8.8361 -8.8361 -8.8360 -8.8360 -6.7641 -6.7641 -6.7622 -6.7622 -5.5262 -5.5262 -5.5212 -5.5212 -3.3369 -3.3369 -3.3367 -3.3367 -1.8951 -1.8951 -1.8904 -1.8904 -1.6867 -1.6867 -1.6859 -1.6859 1.9506 1.9508 1.9512 1.9514 2.7022 2.7024 2.7044 2.7047 4.1145 4.1146 k = 0.2241 0.3656-0.0000 ( 12424 PWs) bands (ev): -21.2861 -21.2861 -21.2861 -21.2861 -18.9069 -18.9069 -18.9069 -18.9069 -14.4664 -14.4664 -14.4662 -14.4662 -12.1257 -12.1257 -12.1257 -12.1257 -10.3011 -10.3011 -10.3011 -10.3011 -10.0408 -10.0408 -10.0408 -10.0408 -8.8358 -8.8358 -8.8358 -8.8358 -6.7628 -6.7628 -6.7610 -6.7609 -5.4914 -5.4914 -5.4865 -5.4865 -3.3374 -3.3374 -3.3372 -3.3372 -1.9011 -1.9011 -1.8964 -1.8964 -1.7029 -1.7028 -1.7020 -1.7020 1.9312 1.9314 1.9317 1.9319 2.6964 2.6966 2.6987 2.6989 4.1582 4.1583 k = 0.2069 0.3656-0.0000 ( 12434 PWs) bands (ev): -21.2868 -21.2868 -21.2868 -21.2868 -18.9071 -18.9071 -18.9071 -18.9071 -14.4560 -14.4560 -14.4559 -14.4559 -12.1262 -12.1262 -12.1262 -12.1262 -10.2990 -10.2990 -10.2990 -10.2990 -10.0717 -10.0717 -10.0717 -10.0717 -8.8356 -8.8356 -8.8356 -8.8356 -6.7619 -6.7618 -6.7601 -6.7601 -5.4569 -5.4569 -5.4522 -5.4522 -3.3379 -3.3379 -3.3377 -3.3377 -1.9074 -1.9074 -1.9027 -1.9027 -1.7186 -1.7186 -1.7177 -1.7177 1.9127 1.9129 1.9132 1.9134 2.6920 2.6922 2.6942 2.6945 4.1970 4.1970 k = 0.1897 0.3656-0.0000 ( 12426 PWs) bands (ev): -21.2874 -21.2874 -21.2874 -21.2874 -18.9073 -18.9073 -18.9072 -18.9072 -14.4458 -14.4458 -14.4457 -14.4457 -12.1267 -12.1267 -12.1267 -12.1267 -10.2969 -10.2969 -10.2969 -10.2969 -10.1013 -10.1013 -10.1013 -10.1013 -8.8354 -8.8354 -8.8354 -8.8354 -6.7612 -6.7611 -6.7595 -6.7595 -5.4233 -5.4233 -5.4187 -5.4187 -3.3384 -3.3384 -3.3382 -3.3382 -1.9140 -1.9139 -1.9094 -1.9094 -1.7338 -1.7338 -1.7329 -1.7329 1.8954 1.8956 1.8959 1.8961 2.6887 2.6890 2.6910 2.6912 4.2302 4.2303 k = 0.1724 0.3656-0.0000 ( 12442 PWs) bands (ev): -21.2880 -21.2880 -21.2880 -21.2880 -18.9074 -18.9074 -18.9074 -18.9074 -14.4360 -14.4360 -14.4359 -14.4359 -12.1272 -12.1272 -12.1272 -12.1271 -10.2950 -10.2950 -10.2949 -10.2949 -10.1295 -10.1295 -10.1295 -10.1295 -8.8352 -8.8352 -8.8352 -8.8352 -6.7607 -6.7607 -6.7592 -6.7591 -5.3908 -5.3908 -5.3865 -5.3865 -3.3389 -3.3389 -3.3387 -3.3387 -1.9207 -1.9207 -1.9162 -1.9162 -1.7482 -1.7482 -1.7474 -1.7474 1.8794 1.8796 1.8798 1.8800 2.6866 2.6868 2.6888 2.6890 4.2577 4.2580 k = 0.1552 0.3656-0.0000 ( 12452 PWs) bands (ev): -21.2886 -21.2886 -21.2886 -21.2886 -18.9075 -18.9075 -18.9075 -18.9075 -14.4267 -14.4267 -14.4266 -14.4266 -12.1276 -12.1276 -12.1276 -12.1276 -10.2931 -10.2931 -10.2930 -10.2930 -10.1560 -10.1560 -10.1559 -10.1559 -8.8350 -8.8350 -8.8350 -8.8350 -6.7604 -6.7604 -6.7590 -6.7590 -5.3600 -5.3599 -5.3559 -5.3559 -3.3394 -3.3394 -3.3392 -3.3392 -1.9274 -1.9274 -1.9232 -1.9232 -1.7618 -1.7618 -1.7610 -1.7610 1.8647 1.8649 1.8650 1.8652 2.6855 2.6857 2.6876 2.6878 4.2793 4.2794 k = 0.1379 0.3656-0.0000 ( 12436 PWs) bands (ev): -21.2891 -21.2891 -21.2891 -21.2891 -18.9077 -18.9077 -18.9076 -18.9076 -14.4180 -14.4180 -14.4179 -14.4179 -12.1281 -12.1281 -12.1281 -12.1281 -10.2913 -10.2913 -10.2913 -10.2913 -10.1803 -10.1803 -10.1803 -10.1803 -8.8348 -8.8348 -8.8348 -8.8348 -6.7603 -6.7603 -6.7591 -6.7590 -5.3311 -5.3311 -5.3273 -5.3273 -3.3398 -3.3398 -3.3396 -3.3396 -1.9340 -1.9340 -1.9300 -1.9300 -1.7743 -1.7743 -1.7736 -1.7735 1.8514 1.8516 1.8517 1.8519 2.6852 2.6854 2.6871 2.6874 4.2956 4.2956 k = 0.1207 0.3656-0.0000 ( 12450 PWs) bands (ev): -21.2896 -21.2896 -21.2896 -21.2896 -18.9078 -18.9078 -18.9078 -18.9078 -14.4100 -14.4099 -14.4099 -14.4098 -12.1285 -12.1285 -12.1285 -12.1285 -10.2898 -10.2898 -10.2897 -10.2897 -10.2024 -10.2024 -10.2024 -10.2024 -8.8347 -8.8347 -8.8347 -8.8347 -6.7603 -6.7603 -6.7592 -6.7592 -5.3046 -5.3046 -5.3012 -5.3012 -3.3402 -3.3402 -3.3400 -3.3400 -1.9402 -1.9402 -1.9366 -1.9366 -1.7857 -1.7857 -1.7850 -1.7850 1.8395 1.8398 1.8398 1.8400 2.6856 2.6858 2.6874 2.6876 4.3070 4.3072 k = 0.1034 0.3656-0.0000 ( 12456 PWs) bands (ev): -21.2900 -21.2900 -21.2900 -21.2900 -18.9079 -18.9079 -18.9079 -18.9079 -14.4028 -14.4027 -14.4027 -14.4027 -12.1289 -12.1289 -12.1289 -12.1289 -10.2884 -10.2884 -10.2883 -10.2883 -10.2221 -10.2221 -10.2220 -10.2220 -8.8345 -8.8345 -8.8345 -8.8345 -6.7604 -6.7604 -6.7594 -6.7594 -5.2808 -5.2808 -5.2779 -5.2779 -3.3405 -3.3405 -3.3404 -3.3404 -1.9460 -1.9460 -1.9428 -1.9428 -1.7958 -1.7958 -1.7952 -1.7952 1.8292 1.8295 1.8295 1.8297 2.6865 2.6867 2.6880 2.6882 4.3146 4.3147 k = 0.0862 0.3656-0.0000 ( 12460 PWs) bands (ev): -21.2904 -21.2904 -21.2904 -21.2904 -18.9080 -18.9080 -18.9080 -18.9080 -14.3965 -14.3965 -14.3964 -14.3964 -12.1292 -12.1292 -12.1292 -12.1292 -10.2872 -10.2871 -10.2871 -10.2871 -10.2390 -10.2390 -10.2389 -10.2389 -8.8344 -8.8344 -8.8344 -8.8344 -6.7605 -6.7605 -6.7597 -6.7597 -5.2601 -5.2601 -5.2576 -5.2576 -3.3408 -3.3408 -3.3407 -3.3407 -1.9512 -1.9512 -1.9485 -1.9485 -1.8045 -1.8045 -1.8040 -1.8040 1.8205 1.8207 1.8207 1.8209 2.6876 2.6878 2.6890 2.6892 4.3191 4.3191 k = 0.0690 0.3656-0.0000 ( 12476 PWs) bands (ev): -21.2907 -21.2907 -21.2907 -21.2907 -18.9081 -18.9081 -18.9080 -18.9080 -14.3912 -14.3912 -14.3912 -14.3912 -12.1295 -12.1295 -12.1295 -12.1295 -10.2862 -10.2862 -10.2861 -10.2861 -10.2530 -10.2530 -10.2530 -10.2530 -8.8343 -8.8343 -8.8343 -8.8343 -6.7606 -6.7606 -6.7600 -6.7600 -5.2427 -5.2427 -5.2406 -5.2406 -3.3410 -3.3410 -3.3409 -3.3409 -1.9556 -1.9556 -1.9534 -1.9534 -1.8118 -1.8118 -1.8113 -1.8113 1.8133 1.8134 1.8135 1.8136 2.6889 2.6891 2.6900 2.6902 4.3214 4.3218 k = 0.0517 0.3656-0.0000 ( 12484 PWs) bands (ev): -21.2909 -21.2909 -21.2909 -21.2909 -18.9081 -18.9081 -18.9081 -18.9081 -14.3871 -14.3870 -14.3870 -14.3870 -12.1297 -12.1297 -12.1297 -12.1297 -10.2855 -10.2854 -10.2854 -10.2854 -10.2640 -10.2640 -10.2640 -10.2640 -8.8342 -8.8342 -8.8342 -8.8342 -6.7607 -6.7607 -6.7603 -6.7602 -5.2288 -5.2288 -5.2272 -5.2272 -3.3412 -3.3412 -3.3411 -3.3411 -1.9591 -1.9591 -1.9574 -1.9574 -1.8175 -1.8175 -1.8171 -1.8171 1.8077 1.8078 1.8079 1.8080 2.6901 2.6903 2.6910 2.6912 4.3225 4.3234 k = 0.0345 0.3656-0.0000 ( 12472 PWs) bands (ev): -21.2911 -21.2911 -21.2911 -21.2911 -18.9082 -18.9082 -18.9081 -18.9081 -14.3840 -14.3840 -14.3840 -14.3840 -12.1299 -12.1299 -12.1299 -12.1299 -10.2850 -10.2850 -10.2850 -10.2850 -10.2719 -10.2719 -10.2719 -10.2719 -8.8342 -8.8342 -8.8342 -8.8342 -6.7608 -6.7608 -6.7605 -6.7605 -5.2187 -5.2187 -5.2176 -5.2176 -3.3413 -3.3413 -3.3413 -3.3413 -1.9616 -1.9616 -1.9605 -1.9605 -1.8216 -1.8216 -1.8213 -1.8213 1.8036 1.8037 1.8039 1.8040 2.6912 2.6913 2.6917 2.6919 4.3228 4.3237 k = 0.0172 0.3656-0.0000 ( 12472 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3822 -14.3822 -14.3822 -14.3822 -12.1300 -12.1300 -12.1300 -12.1300 -10.2849 -10.2849 -10.2849 -10.2849 -10.2765 -10.2765 -10.2765 -10.2765 -8.8341 -8.8341 -8.8341 -8.8341 -6.7608 -6.7608 -6.7607 -6.7606 -5.2124 -5.2124 -5.2119 -5.2119 -3.3414 -3.3414 -3.3414 -3.3414 -1.9631 -1.9630 -1.9625 -1.9625 -1.8240 -1.8240 -1.8239 -1.8239 1.8012 1.8013 1.8015 1.8015 2.6919 2.6921 2.6922 2.6924 4.3230 4.3234 k = 0.0000 0.3656-0.0000 ( 12478 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3816 -14.3816 -14.3815 -14.3815 -12.1300 -12.1300 -12.1300 -12.1300 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2779 -10.2779 -8.8341 -8.8341 -8.8341 -8.8341 -6.7608 -6.7608 -6.7608 -6.7608 -5.2102 -5.2102 -5.2102 -5.2102 -3.3414 -3.3414 -3.3414 -3.3414 -1.9633 -1.9633 -1.9633 -1.9633 -1.8248 -1.8248 -1.8248 -1.8248 1.8005 1.8005 1.8007 1.8007 2.6922 2.6922 2.6924 2.6924 4.3231 4.3231 k = 0.0000 0.3656-0.0000 ( 12478 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3816 -14.3816 -14.3815 -14.3815 -12.1300 -12.1300 -12.1300 -12.1300 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2779 -10.2779 -8.8341 -8.8341 -8.8341 -8.8341 -6.7608 -6.7608 -6.7608 -6.7608 -5.2102 -5.2102 -5.2102 -5.2102 -3.3414 -3.3414 -3.3414 -3.3414 -1.9633 -1.9633 -1.9633 -1.9633 -1.8248 -1.8248 -1.8248 -1.8248 1.8005 1.8005 1.8007 1.8007 2.6922 2.6922 2.6924 2.6924 4.3231 4.3231 k = 0.0000 0.3482-0.0000 ( 12468 PWs) bands (ev): -21.2937 -21.2937 -21.2887 -21.2887 -18.9098 -18.9098 -18.9066 -18.9066 -14.3856 -14.3856 -14.3775 -14.3775 -12.1318 -12.1318 -12.1282 -12.1282 -10.2895 -10.2895 -10.2846 -10.2846 -10.2825 -10.2825 -10.2690 -10.2690 -8.8351 -8.8351 -8.8331 -8.8331 -6.7897 -6.7897 -6.7316 -6.7316 -5.2123 -5.2123 -5.2080 -5.2080 -3.3606 -3.3606 -3.3219 -3.3219 -1.9658 -1.9658 -1.9612 -1.9612 -1.8387 -1.8387 -1.8109 -1.8109 1.7711 1.7711 1.8287 1.8287 2.6936 2.6936 2.6957 2.6957 4.3105 4.3106 k = 0.0000 0.3308-0.0000 ( 12472 PWs) bands (ev): -21.2962 -21.2962 -21.2862 -21.2862 -18.9113 -18.9113 -18.9050 -18.9050 -14.3897 -14.3897 -14.3734 -14.3734 -12.1336 -12.1336 -12.1264 -12.1264 -10.2978 -10.2978 -10.2873 -10.2873 -10.2807 -10.2807 -10.2597 -10.2597 -8.8361 -8.8361 -8.8321 -8.8321 -6.8183 -6.8183 -6.7024 -6.7024 -5.2146 -5.2146 -5.2060 -5.2060 -3.3795 -3.3795 -3.3024 -3.3024 -1.9687 -1.9687 -1.9596 -1.9596 -1.8525 -1.8525 -1.7972 -1.7972 1.7408 1.7408 1.8551 1.8551 2.6992 2.6992 2.7042 2.7042 4.2818 4.2818 k = 0.0000 0.3133-0.0000 ( 12454 PWs) bands (ev): -21.2987 -21.2987 -21.2838 -21.2838 -18.9129 -18.9129 -18.9035 -18.9035 -14.3937 -14.3937 -14.3694 -14.3694 -12.1354 -12.1354 -12.1246 -12.1246 -10.3066 -10.3066 -10.2893 -10.2893 -10.2788 -10.2788 -10.2505 -10.2505 -8.8371 -8.8371 -8.8311 -8.8311 -6.8463 -6.8463 -6.6732 -6.6732 -5.2169 -5.2169 -5.2040 -5.2040 -3.3980 -3.3980 -3.2827 -3.2827 -1.9718 -1.9718 -1.9585 -1.9585 -1.8661 -1.8661 -1.7837 -1.7837 1.7101 1.7101 1.8795 1.8795 2.7086 2.7086 2.7181 2.7181 4.2530 4.2530 k = 0.0000 0.2959-0.0000 ( 12474 PWs) bands (ev): -21.3011 -21.3011 -21.2814 -21.2814 -18.9144 -18.9144 -18.9019 -18.9019 -14.3976 -14.3976 -14.3655 -14.3655 -12.1372 -12.1372 -12.1228 -12.1228 -10.3154 -10.3154 -10.2911 -10.2911 -10.2770 -10.2770 -10.2413 -10.2413 -8.8380 -8.8380 -8.8301 -8.8301 -6.8737 -6.8737 -6.6443 -6.6443 -5.2192 -5.2192 -5.2022 -5.2022 -3.4160 -3.4160 -3.2632 -3.2632 -1.9752 -1.9752 -1.9579 -1.9579 -1.8794 -1.8794 -1.7704 -1.7704 1.6794 1.6794 1.9014 1.9014 2.7213 2.7213 2.7377 2.7377 4.2253 4.2253 k = 0.0000 0.2785-0.0000 ( 12458 PWs) bands (ev): -21.3034 -21.3034 -21.2790 -21.2790 -18.9159 -18.9159 -18.9004 -18.9004 -14.4014 -14.4014 -14.3616 -14.3616 -12.1389 -12.1389 -12.1211 -12.1211 -10.3240 -10.3240 -10.2929 -10.2929 -10.2753 -10.2753 -10.2322 -10.2322 -8.8389 -8.8389 -8.8292 -8.8292 -6.9002 -6.9002 -6.6159 -6.6159 -5.2215 -5.2215 -5.2004 -5.2004 -3.4334 -3.4334 -3.2438 -3.2438 -1.9789 -1.9789 -1.9580 -1.9580 -1.8921 -1.8921 -1.7575 -1.7575 1.6491 1.6491 1.9207 1.9207 2.7370 2.7370 2.7629 2.7629 4.1989 4.1989 k = 0.0000 0.2611-0.0000 ( 12454 PWs) bands (ev): -21.3057 -21.3057 -21.2767 -21.2767 -18.9174 -18.9174 -18.8990 -18.8990 -14.4052 -14.4052 -14.3579 -14.3579 -12.1406 -12.1406 -12.1194 -12.1194 -10.3323 -10.3323 -10.2946 -10.2946 -10.2736 -10.2736 -10.2233 -10.2233 -8.8398 -8.8398 -8.8282 -8.8282 -6.9258 -6.9258 -6.5880 -6.5880 -5.2238 -5.2238 -5.1988 -5.1988 -3.4502 -3.4502 -3.2248 -3.2248 -1.9827 -1.9827 -1.9590 -1.9590 -1.9041 -1.9041 -1.7450 -1.7450 1.6194 1.6194 1.9375 1.9375 2.7552 2.7552 2.7937 2.7937 4.1738 4.1738 k = 0.0000 0.2437-0.0000 ( 12436 PWs) bands (ev): -21.3079 -21.3079 -21.2744 -21.2744 -18.9188 -18.9188 -18.8976 -18.8976 -14.4088 -14.4088 -14.3542 -14.3542 -12.1422 -12.1422 -12.1178 -12.1178 -10.3402 -10.3402 -10.2963 -10.2963 -10.2720 -10.2720 -10.2147 -10.2147 -8.8407 -8.8407 -8.8273 -8.8273 -6.9504 -6.9504 -6.5610 -6.5610 -5.2261 -5.2261 -5.1972 -5.1972 -3.4662 -3.4662 -3.2061 -3.2061 -1.9867 -1.9867 -1.9612 -1.9612 -1.9148 -1.9148 -1.7329 -1.7329 1.5906 1.5906 1.9516 1.9516 2.7754 2.7754 2.8299 2.8299 4.1501 4.1501 k = 0.0000 0.2263-0.0000 ( 12440 PWs) bands (ev): -21.3100 -21.3100 -21.2723 -21.2723 -18.9201 -18.9201 -18.8962 -18.8962 -14.4122 -14.4122 -14.3508 -14.3508 -12.1437 -12.1437 -12.1162 -12.1162 -10.3478 -10.3478 -10.2978 -10.2978 -10.2705 -10.2705 -10.2064 -10.2064 -8.8415 -8.8415 -8.8264 -8.8264 -6.9738 -6.9738 -6.5348 -6.5348 -5.2284 -5.2284 -5.1958 -5.1958 -3.4814 -3.4814 -3.1880 -3.1880 -1.9908 -1.9908 -1.9649 -1.9649 -1.9238 -1.9238 -1.7214 -1.7214 1.5631 1.5631 1.9634 1.9634 2.7974 2.7974 2.8709 2.8709 4.1279 4.1279 k = 0.0000 0.2089-0.0000 ( 12436 PWs) bands (ev): -21.3120 -21.3120 -21.2703 -21.2703 -18.9214 -18.9214 -18.8949 -18.8949 -14.4155 -14.4155 -14.3475 -14.3475 -12.1452 -12.1452 -12.1147 -12.1147 -10.3549 -10.3549 -10.2993 -10.2993 -10.2690 -10.2690 -10.1985 -10.1985 -8.8423 -8.8423 -8.8256 -8.8256 -6.9959 -6.9959 -6.5098 -6.5098 -5.2306 -5.2306 -5.1945 -5.1945 -3.4958 -3.4958 -3.1705 -3.1705 -1.9950 -1.9950 -1.9703 -1.9703 -1.9308 -1.9308 -1.7105 -1.7105 1.5370 1.5370 1.9730 1.9730 2.8207 2.8207 2.9163 2.9163 4.1072 4.1072 k = 0.0000 0.1915-0.0000 ( 12441 PWs) bands (ev): -21.3139 -21.3139 -21.2684 -21.2684 -18.9226 -18.9226 -18.8937 -18.8937 -14.4186 -14.4186 -14.3444 -14.3444 -12.1466 -12.1466 -12.1133 -12.1133 -10.3617 -10.3617 -10.3008 -10.3008 -10.2676 -10.2676 -10.1910 -10.1910 -8.8430 -8.8430 -8.8248 -8.8248 -7.0166 -7.0166 -6.4860 -6.4860 -5.2327 -5.2327 -5.1933 -5.1933 -3.5092 -3.5092 -3.1539 -3.1539 -1.9993 -1.9993 -1.9772 -1.9772 -1.9358 -1.9358 -1.7003 -1.7003 1.5124 1.5124 1.9808 1.9808 2.8448 2.8448 2.9654 2.9654 4.0880 4.0880 k = 0.0000 0.1741-0.0000 ( 12443 PWs) bands (ev): -21.3156 -21.3156 -21.2666 -21.2666 -18.9237 -18.9237 -18.8926 -18.8926 -14.4214 -14.4214 -14.3415 -14.3415 -12.1479 -12.1479 -12.1121 -12.1121 -10.3679 -10.3679 -10.3021 -10.3021 -10.2663 -10.2663 -10.1840 -10.1840 -8.8437 -8.8437 -8.8241 -8.8241 -7.0359 -7.0359 -6.4637 -6.4637 -5.2347 -5.2347 -5.1922 -5.1922 -3.5217 -3.5217 -3.1381 -3.1381 -2.0037 -2.0037 -1.9848 -1.9848 -1.9393 -1.9393 -1.6907 -1.6907 1.4896 1.4896 1.9870 1.9870 2.8694 2.8694 3.0175 3.0175 4.0704 4.0704 k = 0.0000 0.1567-0.0000 ( 12435 PWs) bands (ev): -21.3172 -21.3172 -21.2649 -21.2649 -18.9247 -18.9247 -18.8916 -18.8916 -14.4241 -14.4241 -14.3388 -14.3388 -12.1490 -12.1490 -12.1109 -12.1109 -10.3737 -10.3737 -10.3033 -10.3033 -10.2652 -10.2652 -10.1775 -10.1775 -8.8443 -8.8443 -8.8234 -8.8234 -7.0535 -7.0535 -6.4430 -6.4430 -5.2366 -5.2366 -5.1912 -5.1912 -3.5331 -3.5331 -3.1233 -3.1233 -2.0083 -2.0083 -1.9924 -1.9924 -1.9419 -1.9419 -1.6819 -1.6819 1.4686 1.4686 1.9918 1.9918 2.8941 2.8941 3.0717 3.0717 4.0544 4.0544 k = 0.0000 0.1393-0.0000 ( 12439 PWs) bands (ev): -21.3187 -21.3187 -21.2634 -21.2634 -18.9256 -18.9256 -18.8906 -18.8906 -14.4265 -14.4265 -14.3364 -14.3364 -12.1501 -12.1501 -12.1098 -12.1098 -10.3789 -10.3789 -10.3044 -10.3044 -10.2641 -10.2641 -10.1715 -10.1715 -8.8449 -8.8449 -8.8228 -8.8228 -7.0696 -7.0696 -6.4240 -6.4240 -5.2383 -5.2383 -5.1903 -5.1903 -3.5435 -3.5435 -3.1097 -3.1097 -2.0135 -2.0135 -1.9991 -1.9991 -1.9440 -1.9440 -1.6739 -1.6739 1.4496 1.4496 1.9956 1.9956 2.9184 2.9184 3.1270 3.1270 4.0400 4.0400 k = 0.0000 0.1219-0.0000 ( 12445 PWs) bands (ev): -21.3200 -21.3200 -21.2621 -21.2621 -18.9265 -18.9265 -18.8898 -18.8898 -14.4287 -14.4287 -14.3342 -14.3342 -12.1511 -12.1511 -12.1088 -12.1088 -10.3835 -10.3835 -10.3054 -10.3054 -10.2631 -10.2631 -10.1661 -10.1661 -8.8454 -8.8454 -8.8223 -8.8223 -7.0839 -7.0839 -6.4069 -6.4069 -5.2399 -5.2399 -5.1896 -5.1896 -3.5527 -3.5527 -3.0973 -3.0973 -2.0191 -2.0191 -2.0046 -2.0046 -1.9456 -1.9456 -1.6667 -1.6667 1.4326 1.4326 1.9986 1.9986 2.9418 2.9418 3.1824 3.1824 4.0272 4.0272 k = 0.0000 0.1044-0.0000 ( 12445 PWs) bands (ev): -21.3211 -21.3211 -21.2609 -21.2609 -18.9272 -18.9272 -18.8890 -18.8890 -14.4305 -14.4305 -14.3323 -14.3323 -12.1519 -12.1519 -12.1079 -12.1079 -10.3876 -10.3876 -10.3063 -10.3063 -10.2623 -10.2623 -10.1614 -10.1614 -8.8459 -8.8459 -8.8218 -8.8218 -7.0964 -7.0964 -6.3918 -6.3918 -5.2413 -5.2413 -5.1889 -5.1889 -3.5608 -3.5608 -3.0863 -3.0863 -2.0249 -2.0249 -2.0088 -2.0088 -1.9470 -1.9470 -1.6604 -1.6604 1.4177 1.4177 2.0008 2.0008 2.9638 2.9638 3.2365 3.2365 4.0160 4.0160 k = 0.0000 0.0870-0.0000 ( 12425 PWs) bands (ev): -21.3221 -21.3221 -21.2599 -21.2599 -18.9278 -18.9278 -18.8884 -18.8884 -14.4322 -14.4322 -14.3306 -14.3306 -12.1527 -12.1527 -12.1072 -12.1072 -10.3911 -10.3911 -10.3070 -10.3070 -10.2616 -10.2616 -10.1573 -10.1573 -8.8463 -8.8463 -8.8213 -8.8213 -7.1071 -7.1071 -6.3788 -6.3788 -5.2425 -5.2425 -5.1884 -5.1884 -3.5677 -3.5677 -3.0768 -3.0768 -2.0304 -2.0304 -2.0121 -2.0121 -1.9481 -1.9481 -1.6550 -1.6550 1.4051 1.4051 2.0025 2.0025 2.9838 2.9838 3.2877 3.2877 4.0055 4.0055 k = 0.0000 0.0696-0.0000 ( 12427 PWs) bands (ev): -21.3229 -21.3229 -21.2590 -21.2590 -18.9284 -18.9284 -18.8878 -18.8878 -14.4335 -14.4335 -14.3293 -14.3293 -12.1533 -12.1533 -12.1066 -12.1066 -10.3940 -10.3940 -10.3076 -10.3076 -10.2610 -10.2610 -10.1540 -10.1540 -8.8466 -8.8466 -8.8210 -8.8210 -7.1159 -7.1159 -6.3681 -6.3681 -5.2435 -5.2435 -5.1879 -5.1879 -3.5734 -3.5734 -3.0689 -3.0689 -2.0353 -2.0353 -2.0147 -2.0147 -1.9491 -1.9491 -1.6506 -1.6506 1.3947 1.3947 2.0037 2.0037 3.0012 3.0012 3.3341 3.3342 3.9877 3.9877 k = 0.0000 0.0522-0.0000 ( 12423 PWs) bands (ev): -21.3236 -21.3236 -21.2584 -21.2584 -18.9288 -18.9288 -18.8874 -18.8874 -14.4346 -14.4346 -14.3282 -14.3282 -12.1537 -12.1537 -12.1061 -12.1061 -10.3962 -10.3962 -10.3081 -10.3081 -10.2605 -10.2605 -10.1513 -10.1513 -8.8468 -8.8468 -8.8207 -8.8207 -7.1228 -7.1228 -6.3596 -6.3596 -5.2443 -5.2443 -5.1876 -5.1876 -3.5778 -3.5778 -3.0627 -3.0627 -2.0393 -2.0393 -2.0166 -2.0166 -1.9498 -1.9498 -1.6471 -1.6471 1.3865 1.3865 2.0046 2.0046 3.0156 3.0156 3.3737 3.3737 3.9705 3.9705 k = 0.0000 0.0348-0.0000 ( 12429 PWs) bands (ev): -21.3240 -21.3240 -21.2579 -21.2579 -18.9291 -18.9291 -18.8871 -18.8871 -14.4353 -14.4353 -14.3274 -14.3274 -12.1541 -12.1541 -12.1058 -12.1058 -10.3978 -10.3978 -10.3084 -10.3084 -10.2602 -10.2602 -10.1494 -10.1494 -8.8470 -8.8470 -8.8205 -8.8205 -7.1278 -7.1278 -6.3535 -6.3535 -5.2449 -5.2449 -5.1873 -5.1873 -3.5810 -3.5810 -3.0581 -3.0581 -2.0422 -2.0422 -2.0180 -2.0180 -1.9503 -1.9503 -1.6446 -1.6446 1.3807 1.3807 2.0052 2.0052 3.0262 3.0262 3.4041 3.4041 3.9576 3.9576 k = 0.0000 0.0174-0.0000 ( 12437 PWs) bands (ev): -21.3243 -21.3243 -21.2576 -21.2576 -18.9292 -18.9292 -18.8869 -18.8869 -14.4358 -14.4358 -14.3270 -14.3270 -12.1543 -12.1543 -12.1056 -12.1056 -10.3988 -10.3988 -10.3087 -10.3087 -10.2600 -10.2600 -10.1483 -10.1483 -8.8471 -8.8471 -8.8204 -8.8204 -7.1308 -7.1308 -6.3498 -6.3498 -5.2453 -5.2453 -5.1872 -5.1872 -3.5829 -3.5829 -3.0554 -3.0554 -2.0440 -2.0440 -2.0188 -2.0188 -1.9507 -1.9507 -1.6430 -1.6430 1.3771 1.3771 2.0055 2.0055 3.0328 3.0328 3.4234 3.4234 3.9496 3.9496 k = 0.0000 0.0000 0.0000 ( 12427 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1544 -12.1544 -12.1055 -12.1055 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8472 -8.8472 -8.8204 -8.8204 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5836 -3.5836 -3.0545 -3.0545 -2.0446 -2.0446 -2.0190 -2.0190 -1.9508 -1.9508 -1.6425 -1.6425 1.3760 1.3760 2.0056 2.0056 3.0351 3.0351 3.4300 3.4300 3.9469 3.9469 k = 0.0000 0.0000 0.0000 ( 12427 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1544 -12.1544 -12.1055 -12.1055 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8472 -8.8472 -8.8204 -8.8204 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5836 -3.5836 -3.0545 -3.0545 -2.0446 -2.0446 -2.0190 -2.0190 -1.9508 -1.9508 -1.6425 -1.6425 1.3760 1.3760 2.0056 2.0056 3.0351 3.0351 3.4300 3.4300 3.9469 3.9469 k = 0.0000 0.0000 0.0169 ( 12439 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1543 -12.1543 -12.1055 -12.1055 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8472 -8.8472 -8.8204 -8.8204 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5836 -3.5836 -3.0545 -3.0545 -2.0447 -2.0447 -2.0191 -2.0190 -1.9508 -1.9507 -1.6426 -1.6426 1.3782 1.3782 2.0060 2.0060 3.0350 3.0351 3.4321 3.4321 3.9057 3.9087 k = 0.0000 0.0000 0.0338 ( 12445 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1543 -12.1543 -12.1055 -12.1055 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8473 -8.8473 -8.8205 -8.8205 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5837 -3.5837 -3.0545 -3.0545 -2.0450 -2.0450 -2.0191 -2.0190 -1.9508 -1.9507 -1.6427 -1.6426 1.3848 1.3849 2.0073 2.0073 3.0350 3.0352 3.4385 3.4386 3.8462 3.8492 k = 0.0000 0.0000 0.0506 ( 12445 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1542 -12.1542 -12.1054 -12.1054 -10.3991 -10.3991 -10.3087 -10.3087 -10.2599 -10.2599 -10.1479 -10.1479 -8.8476 -8.8476 -8.8207 -8.8207 -7.1318 -7.1318 -6.3486 -6.3486 -5.2454 -5.2454 -5.1871 -5.1871 -3.5838 -3.5838 -3.0545 -3.0545 -2.0455 -2.0454 -2.0191 -2.0190 -1.9509 -1.9507 -1.6428 -1.6427 1.3957 1.3959 2.0092 2.0092 3.0349 3.0353 3.4491 3.4492 3.7808 3.7836 k = 0.0000 0.0000 0.0675 ( 12427 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1541 -12.1541 -12.1053 -12.1053 -10.3991 -10.3990 -10.3087 -10.3087 -10.2599 -10.2599 -10.1478 -10.1478 -8.8478 -8.8478 -8.8209 -8.8209 -7.1317 -7.1317 -6.3486 -6.3486 -5.2453 -5.2453 -5.1871 -5.1871 -3.5839 -3.5839 -3.0546 -3.0546 -2.0461 -2.0460 -2.0191 -2.0190 -1.9509 -1.9507 -1.6430 -1.6429 1.4110 1.4112 2.0120 2.0120 3.0349 3.0354 3.4639 3.4640 3.7109 3.7134 k = 0.0000 0.0000 0.0844 ( 12437 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1540 -12.1540 -12.1053 -12.1053 -10.3990 -10.3990 -10.3088 -10.3088 -10.2599 -10.2599 -10.1478 -10.1478 -8.8482 -8.8482 -8.8211 -8.8211 -7.1317 -7.1317 -6.3486 -6.3486 -5.2453 -5.2453 -5.1870 -5.1870 -3.5841 -3.5841 -3.0546 -3.0546 -2.0469 -2.0468 -2.0192 -2.0191 -1.9510 -1.9508 -1.6432 -1.6431 1.4303 1.4306 2.0153 2.0153 3.0348 3.0355 3.4826 3.4829 3.6373 3.6397 k = 0.0000 0.0000 0.1013 ( 12417 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9293 -18.9293 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1539 -12.1539 -12.1051 -12.1051 -10.3990 -10.3990 -10.3088 -10.3088 -10.2600 -10.2600 -10.1478 -10.1478 -8.8486 -8.8486 -8.8214 -8.8214 -7.1317 -7.1317 -6.3486 -6.3486 -5.2453 -5.2453 -5.1870 -5.1870 -3.5843 -3.5843 -3.0546 -3.0546 -2.0479 -2.0477 -2.0192 -2.0191 -1.9510 -1.9508 -1.6435 -1.6434 1.4537 1.4540 2.0193 2.0193 3.0347 3.0356 3.5053 3.5056 3.5610 3.5633 k = 0.0000 0.0000 0.1181 ( 12405 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1538 -12.1538 -12.1050 -12.1050 -10.3989 -10.3989 -10.3088 -10.3088 -10.2600 -10.2600 -10.1477 -10.1477 -8.8490 -8.8490 -8.8218 -8.8218 -7.1317 -7.1317 -6.3486 -6.3486 -5.2452 -5.2452 -5.1869 -5.1869 -3.5846 -3.5846 -3.0546 -3.0546 -2.0489 -2.0487 -2.0192 -2.0191 -1.9511 -1.9508 -1.6438 -1.6437 1.4807 1.4811 2.0237 2.0237 3.0345 3.0356 3.4827 3.4850 3.5319 3.5321 k = 0.0000 0.0000 0.1350 ( 12399 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8869 -18.8869 -14.4359 -14.4359 -14.3268 -14.3268 -12.1536 -12.1536 -12.1049 -12.1049 -10.3988 -10.3988 -10.3088 -10.3088 -10.2600 -10.2600 -10.1477 -10.1477 -8.8495 -8.8495 -8.8221 -8.8221 -7.1316 -7.1316 -6.3486 -6.3486 -5.2452 -5.2452 -5.1869 -5.1869 -3.5848 -3.5848 -3.0547 -3.0547 -2.0500 -2.0498 -2.0193 -2.0191 -1.9511 -1.9508 -1.6441 -1.6440 1.5112 1.5116 2.0285 2.0285 3.0340 3.0354 3.4036 3.4060 3.5616 3.5619 k = 0.0000 0.0000 0.1519 ( 12419 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8869 -18.8869 -14.4359 -14.4359 -14.3267 -14.3267 -12.1534 -12.1534 -12.1048 -12.1048 -10.3988 -10.3988 -10.3088 -10.3088 -10.2601 -10.2601 -10.1476 -10.1476 -8.8501 -8.8501 -8.8225 -8.8225 -7.1316 -7.1316 -6.3486 -6.3486 -5.2452 -5.2452 -5.1868 -5.1868 -3.5851 -3.5851 -3.0547 -3.0547 -2.0512 -2.0510 -2.0193 -2.0191 -1.9511 -1.9509 -1.6444 -1.6443 1.5447 1.5452 2.0336 2.0336 3.0332 3.0350 3.3246 3.3271 3.5945 3.5948 k = 0.0000 0.0000 0.1688 ( 12405 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8869 -18.8869 -14.4359 -14.4359 -14.3267 -14.3267 -12.1533 -12.1533 -12.1046 -12.1046 -10.3987 -10.3987 -10.3088 -10.3088 -10.2601 -10.2601 -10.1476 -10.1476 -8.8506 -8.8506 -8.8228 -8.8228 -7.1316 -7.1316 -6.3486 -6.3486 -5.2451 -5.2451 -5.1868 -5.1868 -3.5854 -3.5854 -3.0548 -3.0548 -2.0524 -2.0522 -2.0193 -2.0191 -1.9512 -1.9509 -1.6448 -1.6446 1.5809 1.5814 2.0387 2.0387 3.0316 3.0340 3.2468 3.2498 3.6300 3.6304 k = 0.0000 0.0000 0.1856 ( 12419 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1531 -12.1531 -12.1045 -12.1045 -10.3987 -10.3987 -10.3089 -10.3089 -10.2601 -10.2601 -10.1476 -10.1476 -8.8511 -8.8511 -8.8232 -8.8232 -7.1316 -7.1316 -6.3486 -6.3486 -5.2451 -5.2451 -5.1867 -5.1867 -3.5857 -3.5857 -3.0548 -3.0548 -2.0536 -2.0534 -2.0193 -2.0191 -1.9512 -1.9510 -1.6451 -1.6449 1.6190 1.6195 2.0439 2.0439 3.0281 3.0316 3.1721 3.1760 3.6676 3.6680 k = 0.0000 0.0000 0.2025 ( 12415 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1530 -12.1530 -12.1044 -12.1044 -10.3986 -10.3986 -10.3089 -10.3089 -10.2601 -10.2601 -10.1475 -10.1475 -8.8516 -8.8516 -8.8236 -8.8236 -7.1315 -7.1315 -6.3486 -6.3486 -5.2451 -5.2451 -5.1867 -5.1867 -3.5859 -3.5859 -3.0548 -3.0548 -2.0547 -2.0545 -2.0193 -2.0191 -1.9512 -1.9510 -1.6454 -1.6453 1.6585 1.6589 2.0488 2.0488 3.0186 3.0242 3.1051 3.1109 3.7065 3.7069 k = 0.0000 0.0000 0.2194 ( 12419 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1528 -12.1528 -12.1043 -12.1043 -10.3986 -10.3986 -10.3089 -10.3089 -10.2601 -10.2601 -10.1475 -10.1475 -8.8521 -8.8521 -8.8240 -8.8240 -7.1315 -7.1315 -6.3486 -6.3486 -5.2450 -5.2450 -5.1866 -5.1866 -3.5862 -3.5862 -3.0549 -3.0549 -2.0557 -2.0556 -2.0193 -2.0191 -1.9513 -1.9510 -1.6457 -1.6456 1.6982 1.6987 2.0535 2.0535 2.9899 2.9959 3.0629 3.0691 3.7456 3.7459 k = 0.0000 0.0000 0.2363 ( 12425 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9294 -18.9294 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1527 -12.1527 -12.1042 -12.1042 -10.3985 -10.3985 -10.3089 -10.3089 -10.2602 -10.2602 -10.1475 -10.1475 -8.8525 -8.8525 -8.8243 -8.8243 -7.1315 -7.1315 -6.3486 -6.3486 -5.2450 -5.2450 -5.1866 -5.1866 -3.5864 -3.5864 -3.0549 -3.0549 -2.0567 -2.0565 -2.0192 -2.0191 -1.9513 -1.9511 -1.6459 -1.6458 1.7369 1.7374 2.0577 2.0577 2.9395 2.9431 3.0506 3.0542 3.7834 3.7837 k = 0.0000 0.0000 0.2531 ( 12427 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1526 -12.1526 -12.1041 -12.1041 -10.3985 -10.3985 -10.3089 -10.3089 -10.2602 -10.2602 -10.1474 -10.1474 -8.8528 -8.8528 -8.8245 -8.8245 -7.1315 -7.1315 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5866 -3.5866 -3.0549 -3.0549 -2.0575 -2.0574 -2.0192 -2.0191 -1.9513 -1.9511 -1.6462 -1.6461 1.7732 1.7736 2.0613 2.0613 2.8864 2.8885 3.0472 3.0493 3.8182 3.8185 k = 0.0000 0.0000 0.2700 ( 12430 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1525 -12.1525 -12.1040 -12.1040 -10.3985 -10.3985 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8531 -8.8531 -8.8247 -8.8247 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5868 -3.5868 -3.0550 -3.0550 -2.0581 -2.0580 -2.0192 -2.0191 -1.9513 -1.9512 -1.6463 -1.6462 1.8050 1.8054 2.0643 2.0643 2.8396 2.8410 3.0458 3.0471 3.8478 3.8480 k = 0.0000 0.0000 0.2869 ( 12430 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1524 -12.1524 -12.1040 -12.1040 -10.3984 -10.3984 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8533 -8.8533 -8.8249 -8.8249 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5869 -3.5869 -3.0550 -3.0550 -2.0586 -2.0585 -2.0192 -2.0191 -1.9513 -1.9512 -1.6464 -1.6464 1.8301 1.8304 2.0664 2.0664 2.8033 2.8042 3.0453 3.0460 3.8701 3.8703 k = 0.0000 0.0000 0.3038 ( 12432 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1524 -12.1524 -12.1039 -12.1039 -10.3984 -10.3984 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8535 -8.8535 -8.8250 -8.8250 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5870 -3.5869 -3.0550 -3.0550 -2.0589 -2.0588 -2.0192 -2.0191 -1.9513 -1.9512 -1.6465 -1.6465 1.8464 1.8466 2.0678 2.0678 2.7803 2.7807 3.0451 3.0455 3.8839 3.8839 k = 0.0000 0.0000 0.3206 ( 12458 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1524 -12.1524 -12.1039 -12.1039 -10.3984 -10.3984 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8535 -8.8535 -8.8250 -8.8250 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5870 -3.5870 -3.0550 -3.0550 -2.0589 -2.0589 -2.0192 -2.0192 -1.9512 -1.9512 -1.6465 -1.6465 1.8521 1.8521 2.0682 2.0682 2.7725 2.7725 3.0452 3.0452 3.8885 3.8885 k = 0.0000 0.0000 0.3206 ( 12458 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1524 -12.1524 -12.1039 -12.1039 -10.3984 -10.3984 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8535 -8.8535 -8.8250 -8.8250 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5870 -3.5870 -3.0550 -3.0550 -2.0589 -2.0589 -2.0192 -2.0192 -1.9512 -1.9512 -1.6465 -1.6465 1.8521 1.8521 2.0682 2.0682 2.7725 2.7725 3.0452 3.0452 3.8885 3.8885 k = 0.0172-0.0000 0.3206 ( 12430 PWs) bands (ev): -21.3243 -21.3243 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4366 -14.4365 -14.3271 -14.3271 -12.1523 -12.1523 -12.1039 -12.1039 -10.3969 -10.3969 -10.3091 -10.3091 -10.2603 -10.2603 -10.1457 -10.1457 -8.8535 -8.8535 -8.8250 -8.8250 -7.1314 -7.1312 -6.3487 -6.3485 -5.2494 -5.2481 -5.1866 -5.1864 -3.5869 -3.5869 -3.0551 -3.0551 -2.0611 -2.0565 -2.0287 -2.0247 -1.9418 -1.9412 -1.6460 -1.6458 1.8532 1.8532 2.0677 2.0679 2.7745 2.7746 3.0433 3.0435 3.8893 3.8893 k = 0.0345-0.0000 0.3206 ( 12418 PWs) bands (ev): -21.3242 -21.3242 -21.2574 -21.2574 -18.9294 -18.9294 -18.8870 -18.8870 -14.4388 -14.4387 -14.3286 -14.3286 -12.1520 -12.1520 -12.1040 -12.1040 -10.3922 -10.3921 -10.3095 -10.3095 -10.2606 -10.2606 -10.1409 -10.1409 -8.8535 -8.8535 -8.8251 -8.8251 -7.1311 -7.1308 -6.3489 -6.3486 -5.2607 -5.2583 -5.1874 -5.1872 -3.5867 -3.5867 -3.0554 -3.0554 -2.0667 -2.0539 -2.0459 -2.0344 -1.9202 -1.9192 -1.6441 -1.6437 1.8564 1.8564 2.0663 2.0667 2.7803 2.7805 3.0380 3.0384 3.8918 3.8918 k = 0.0517-0.0000 0.3206 ( 12412 PWs) bands (ev): -21.3240 -21.3240 -21.2572 -21.2572 -18.9294 -18.9294 -18.8869 -18.8869 -14.4424 -14.4423 -14.3310 -14.3309 -12.1515 -12.1515 -12.1041 -12.1041 -10.3844 -10.3843 -10.3102 -10.3102 -10.2611 -10.2611 -10.1329 -10.1329 -8.8536 -8.8536 -8.8251 -8.8251 -7.1306 -7.1301 -6.3493 -6.3488 -5.2776 -5.2744 -5.1899 -5.1899 -3.5864 -3.5863 -3.0560 -3.0559 -2.0806 -2.0695 -2.0454 -2.0364 -1.8936 -1.8923 -1.6410 -1.6403 1.8617 1.8617 2.0643 2.0649 2.7899 2.7902 3.0294 3.0299 3.8958 3.8958 k = 0.0690-0.0000 0.3206 ( 12428 PWs) bands (ev): -21.3238 -21.3237 -21.2570 -21.2570 -18.9293 -18.9293 -18.8869 -18.8869 -14.4474 -14.4473 -14.3343 -14.3342 -12.1508 -12.1508 -12.1042 -12.1042 -10.3736 -10.3736 -10.3112 -10.3112 -10.2618 -10.2618 -10.1218 -10.1217 -8.8537 -8.8537 -8.8253 -8.8253 -7.1298 -7.1292 -6.3498 -6.3491 -5.2990 -5.2951 -5.1953 -5.1950 -3.5859 -3.5858 -3.0567 -3.0567 -2.0995 -2.0906 -2.0375 -2.0316 -1.8645 -1.8629 -1.6366 -1.6356 1.8692 1.8692 2.0617 2.0625 2.8029 2.8033 3.0177 3.0184 3.9015 3.9016 k = 0.0862-0.0000 0.3206 ( 12422 PWs) bands (ev): -21.3234 -21.3234 -21.2567 -21.2567 -18.9292 -18.9292 -18.8868 -18.8868 -14.4537 -14.4536 -14.3385 -14.3384 -12.1500 -12.1500 -12.1043 -12.1043 -10.3599 -10.3598 -10.3123 -10.3123 -10.2626 -10.2626 -10.1077 -10.1076 -8.8537 -8.8537 -8.8254 -8.8254 -7.1289 -7.1281 -6.3504 -6.3495 -5.3242 -5.3198 -5.2038 -5.2031 -3.5853 -3.5851 -3.0577 -3.0576 -2.1196 -2.1117 -2.0275 -2.0231 -1.8338 -1.8317 -1.6310 -1.6298 1.8788 1.8788 2.0588 2.0598 2.8189 2.8194 3.0032 3.0041 3.9089 3.9089 k = 0.1034-0.0000 0.3206 ( 12418 PWs) bands (ev): -21.3230 -21.3230 -21.2563 -21.2563 -18.9291 -18.9291 -18.8868 -18.8868 -14.4611 -14.4610 -14.3435 -14.3435 -12.1490 -12.1490 -12.1045 -12.1045 -10.3434 -10.3433 -10.3137 -10.3137 -10.2636 -10.2636 -10.0908 -10.0907 -8.8538 -8.8538 -8.8255 -8.8255 -7.1279 -7.1269 -6.3511 -6.3501 -5.3527 -5.3477 -5.2154 -5.2143 -3.5845 -3.5844 -3.0588 -3.0587 -2.1398 -2.1323 -2.0155 -2.0120 -1.8020 -1.7994 -1.6244 -1.6229 1.8905 1.8905 2.0559 2.0570 2.8374 2.8381 2.9865 2.9873 3.9178 3.9178 k = 0.1207-0.0000 0.3206 ( 12414 PWs) bands (ev): -21.3226 -21.3226 -21.2560 -21.2559 -18.9290 -18.9290 -18.8867 -18.8867 -14.4696 -14.4695 -14.3493 -14.3493 -12.1479 -12.1479 -12.1047 -12.1047 -10.3246 -10.3245 -10.3150 -10.3150 -10.2648 -10.2648 -10.0713 -10.0712 -8.8539 -8.8539 -8.8257 -8.8257 -7.1267 -7.1256 -6.3521 -6.3509 -5.3839 -5.3786 -5.2301 -5.2286 -3.5836 -3.5835 -3.0600 -3.0599 -2.1597 -2.1524 -2.0015 -1.9986 -1.7694 -1.7661 -1.6168 -1.6149 1.9043 1.9043 2.0533 2.0545 2.8576 2.8586 2.9681 2.9689 3.9283 3.9283 k = 0.1379-0.0000 0.3206 ( 12416 PWs) bands (ev): -21.3221 -21.3221 -21.2555 -21.2555 -18.9289 -18.9289 -18.8866 -18.8866 -14.4790 -14.4789 -14.3559 -14.3558 -12.1467 -12.1467 -12.1049 -12.1049 -10.3177 -10.3177 -10.3021 -10.3020 -10.2662 -10.2661 -10.0493 -10.0492 -8.8540 -8.8540 -8.8260 -8.8260 -7.1255 -7.1242 -6.3532 -6.3518 -5.4176 -5.4119 -5.2478 -5.2458 -3.5826 -3.5824 -3.0615 -3.0614 -2.1792 -2.1720 -1.9858 -1.9833 -1.7363 -1.7323 -1.6083 -1.6059 1.9202 1.9202 2.0511 2.0525 2.8777 2.8792 2.9498 2.9502 3.9404 3.9404 k = 0.1552-0.0000 0.3206 ( 12420 PWs) bands (ev): -21.3215 -21.3215 -21.2550 -21.2550 -18.9288 -18.9288 -18.8865 -18.8865 -14.4893 -14.4891 -14.3630 -14.3629 -12.1454 -12.1454 -12.1051 -12.1051 -10.3196 -10.3196 -10.2784 -10.2782 -10.2676 -10.2675 -10.0251 -10.0250 -8.8541 -8.8541 -8.8262 -8.8262 -7.1243 -7.1229 -6.3545 -6.3530 -5.4531 -5.4471 -5.2681 -5.2658 -3.5815 -3.5813 -3.0630 -3.0629 -2.1982 -2.1911 -1.9683 -1.9662 -1.7029 -1.6981 -1.5990 -1.5960 1.9382 1.9382 2.0497 2.0511 2.8913 2.8936 2.9374 2.9378 3.9540 3.9540 k = 0.1724-0.0000 0.3206 ( 12442 PWs) bands (ev): -21.3209 -21.3209 -21.2545 -21.2545 -18.9286 -18.9286 -18.8863 -18.8863 -14.5001 -14.5000 -14.3707 -14.3706 -12.1440 -12.1440 -12.1054 -12.1054 -10.3217 -10.3217 -10.2693 -10.2692 -10.2523 -10.2522 -9.9990 -9.9988 -8.8543 -8.8543 -8.8264 -8.8264 -7.1231 -7.1216 -6.3561 -6.3545 -5.4902 -5.4839 -5.2908 -5.2882 -3.5803 -3.5801 -3.0647 -3.0646 -2.2169 -2.2098 -1.9494 -1.9475 -1.6698 -1.6638 -1.5891 -1.5852 1.9583 1.9584 2.0492 2.0508 2.8837 2.8860 2.9461 2.9464 3.9690 3.9690 k = 0.1897-0.0000 0.3206 ( 12432 PWs) bands (ev): -21.3203 -21.3202 -21.2539 -21.2539 -18.9285 -18.9285 -18.8862 -18.8862 -14.5115 -14.5114 -14.3789 -14.3788 -12.1426 -12.1426 -12.1057 -12.1057 -10.3240 -10.3240 -10.2709 -10.2709 -10.2246 -10.2244 -9.9712 -9.9710 -8.8544 -8.8544 -8.8267 -8.8267 -7.1220 -7.1204 -6.3579 -6.3562 -5.5284 -5.5219 -5.3155 -5.3126 -3.5789 -3.5787 -3.0665 -3.0663 -2.2351 -2.2281 -1.9290 -1.9274 -1.6375 -1.6299 -1.5786 -1.5732 1.9805 1.9805 2.0499 2.0516 2.8629 2.8648 2.9676 2.9677 3.9852 3.9852 k = 0.2069-0.0000 0.3206 ( 12428 PWs) bands (ev): -21.3196 -21.3196 -21.2534 -21.2534 -18.9283 -18.9283 -18.8861 -18.8861 -14.5232 -14.5231 -14.3874 -14.3873 -12.1411 -12.1411 -12.1060 -12.1059 -10.3264 -10.3264 -10.2726 -10.2726 -10.1952 -10.1951 -9.9420 -9.9418 -8.8545 -8.8545 -8.8270 -8.8270 -7.1211 -7.1194 -6.3601 -6.3582 -5.5673 -5.5606 -5.3419 -5.3388 -3.5775 -3.5773 -3.0683 -3.0681 -2.2529 -2.2460 -1.9075 -1.9060 -1.6070 -1.5969 -1.5672 -1.5594 2.0047 2.0047 2.0519 2.0537 2.8383 2.8399 2.9916 2.9920 3.9992 3.9997 k = 0.2241-0.0000 0.3206 ( 12442 PWs) bands (ev): -21.3189 -21.3189 -21.2528 -21.2528 -18.9281 -18.9281 -18.8859 -18.8859 -14.5352 -14.5350 -14.3961 -14.3960 -12.1397 -12.1397 -12.1063 -12.1063 -10.3289 -10.3289 -10.2745 -10.2744 -10.1646 -10.1645 -9.9117 -9.9115 -8.8547 -8.8547 -8.8273 -8.8273 -7.1205 -7.1186 -6.3626 -6.3605 -5.6064 -5.5997 -5.3696 -5.3662 -3.5761 -3.5759 -3.0702 -3.0700 -2.2702 -2.2635 -1.8849 -1.8835 -1.5807 -1.5678 -1.5525 -1.5421 2.0309 2.0310 2.0554 2.0573 2.8122 2.8136 3.0158 3.0163 3.9793 3.9804 k = 0.2414-0.0000 0.3206 ( 12452 PWs) bands (ev): -21.3182 -21.3182 -21.2522 -21.2522 -18.9279 -18.9279 -18.8858 -18.8858 -14.5472 -14.5470 -14.4050 -14.4049 -12.1382 -12.1382 -12.1066 -12.1066 -10.3314 -10.3314 -10.2763 -10.2763 -10.1331 -10.1330 -9.8807 -9.8805 -8.8548 -8.8548 -8.8275 -8.8275 -7.1201 -7.1182 -6.3653 -6.3632 -5.6454 -5.6386 -5.3981 -5.3946 -3.5746 -3.5743 -3.0720 -3.0719 -2.2872 -2.2807 -1.8615 -1.8602 -1.5606 -1.5510 -1.5265 -1.5193 2.0586 2.0591 2.0611 2.0626 2.7853 2.7864 3.0393 3.0398 3.9601 3.9616 k = 0.2586-0.0000 0.3206 ( 12430 PWs) bands (ev): -21.3175 -21.3175 -21.2516 -21.2515 -18.9278 -18.9277 -18.8857 -18.8857 -14.5591 -14.5589 -14.4139 -14.4138 -12.1367 -12.1367 -12.1069 -12.1069 -10.3339 -10.3339 -10.2781 -10.2781 -10.1010 -10.1008 -9.8493 -9.8492 -8.8550 -8.8550 -8.8278 -8.8278 -7.1200 -7.1180 -6.3685 -6.3663 -5.6839 -5.6771 -5.4271 -5.4235 -3.5730 -3.5728 -3.0739 -3.0738 -2.3036 -2.2973 -1.8374 -1.8363 -1.5458 -1.5396 -1.4964 -1.4928 2.0672 2.0693 2.0894 2.0895 2.7578 2.7588 3.0614 3.0619 3.9419 3.9439 k = 0.2759-0.0000 0.3206 ( 12438 PWs) bands (ev): -21.3168 -21.3168 -21.2509 -21.2509 -18.9276 -18.9276 -18.8855 -18.8855 -14.5708 -14.5706 -14.4227 -14.4226 -12.1353 -12.1353 -12.1072 -12.1072 -10.3364 -10.3364 -10.2800 -10.2800 -10.0687 -10.0685 -9.8179 -9.8177 -8.8551 -8.8551 -8.8281 -8.8281 -7.1203 -7.1183 -6.3719 -6.3697 -5.7214 -5.7147 -5.4561 -5.4525 -3.5714 -3.5712 -3.0758 -3.0757 -2.3195 -2.3135 -1.8129 -1.8119 -1.5338 -1.5295 -1.4668 -1.4651 2.0757 2.0779 2.1215 2.1215 2.7301 2.7308 3.0817 3.0822 3.9251 3.9274 k = 0.2931-0.0000 0.3206 ( 12442 PWs) bands (ev): -21.3161 -21.3161 -21.2504 -21.2503 -18.9274 -18.9274 -18.8854 -18.8854 -14.5821 -14.5820 -14.4314 -14.4312 -12.1339 -12.1339 -12.1075 -12.1075 -10.3389 -10.3388 -10.2818 -10.2818 -10.0364 -10.0363 -9.7868 -9.7866 -8.8553 -8.8553 -8.8283 -8.8283 -7.1210 -7.1190 -6.3757 -6.3734 -5.7576 -5.7511 -5.4846 -5.4811 -3.5699 -3.5697 -3.0776 -3.0775 -2.3347 -2.3290 -1.7883 -1.7873 -1.5234 -1.5202 -1.4386 -1.4379 2.0859 2.0882 2.1555 2.1555 2.7021 2.7026 3.0999 3.1003 3.9071 3.9100 k = 0.3103-0.0000 0.3206 ( 12434 PWs) bands (ev): -21.3154 -21.3154 -21.2498 -21.2498 -18.9272 -18.9272 -18.8853 -18.8853 -14.5930 -14.5929 -14.4397 -14.4396 -12.1326 -12.1326 -12.1078 -12.1078 -10.3412 -10.3412 -10.2835 -10.2835 -10.0047 -10.0046 -9.7564 -9.7562 -8.8554 -8.8554 -8.8286 -8.8286 -7.1221 -7.1201 -6.3798 -6.3775 -5.7922 -5.7859 -5.5124 -5.5089 -3.5683 -3.5681 -3.0794 -3.0793 -2.3493 -2.3439 -1.7636 -1.7628 -1.5143 -1.5118 -1.4120 -1.4119 2.0979 2.1002 2.1911 2.1911 2.6740 2.6742 3.1158 3.1161 3.8200 3.8201 k = 0.3276-0.0000 0.3206 ( 12450 PWs) bands (ev): -21.3148 -21.3148 -21.2492 -21.2492 -18.9271 -18.9271 -18.8851 -18.8851 -14.6034 -14.6033 -14.4477 -14.4476 -12.1314 -12.1314 -12.1082 -12.1082 -10.3435 -10.3435 -10.2852 -10.2852 -9.9739 -9.9738 -9.7270 -9.7269 -8.8555 -8.8555 -8.8289 -8.8289 -7.1235 -7.1216 -6.3841 -6.3818 -5.8248 -5.8188 -5.5390 -5.5356 -3.5668 -3.5667 -3.0811 -3.0810 -2.3630 -2.3581 -1.7393 -1.7385 -1.5065 -1.5045 -1.3876 -1.3871 2.1116 2.1139 2.2284 2.2284 2.6458 2.6458 3.1293 3.1295 3.7311 3.7312 k = 0.3448-0.0000 0.3206 ( 12450 PWs) bands (ev): -21.3142 -21.3142 -21.2487 -21.2487 -18.9269 -18.9269 -18.8850 -18.8850 -14.6131 -14.6130 -14.4552 -14.4551 -12.1302 -12.1302 -12.1085 -12.1085 -10.3456 -10.3456 -10.2868 -10.2868 -9.9445 -9.9443 -9.6991 -9.6990 -8.8557 -8.8557 -8.8291 -8.8291 -7.1253 -7.1234 -6.3886 -6.3864 -5.8551 -5.8494 -5.5641 -5.5608 -3.5654 -3.5652 -3.0827 -3.0826 -2.3759 -2.3713 -1.7154 -1.7147 -1.4999 -1.4983 -1.3650 -1.3643 2.1269 2.1293 2.2671 2.2672 2.6173 2.6176 3.1404 3.1406 3.6438 3.6439 k = 0.3621-0.0000 0.3206 ( 12446 PWs) bands (ev): -21.3136 -21.3136 -21.2482 -21.2482 -18.9268 -18.9268 -18.8849 -18.8849 -14.6220 -14.6219 -14.4621 -14.4620 -12.1291 -12.1291 -12.1088 -12.1088 -10.3476 -10.3476 -10.2883 -10.2883 -9.9167 -9.9165 -9.6730 -9.6729 -8.8558 -8.8558 -8.8293 -8.8293 -7.1273 -7.1255 -6.3931 -6.3910 -5.8828 -5.8775 -5.5873 -5.5842 -3.5641 -3.5639 -3.0842 -3.0841 -2.3877 -2.3835 -1.6923 -1.6917 -1.4947 -1.4933 -1.3444 -1.3436 2.1438 2.1462 2.3070 2.3071 2.5890 2.5895 3.1494 3.1494 3.5595 3.5595 k = 0.3793-0.0000 0.3206 ( 12454 PWs) bands (ev): -21.3131 -21.3131 -21.2478 -21.2477 -18.9266 -18.9266 -18.8848 -18.8848 -14.6300 -14.6300 -14.4684 -14.4684 -12.1281 -12.1281 -12.1091 -12.1091 -10.3494 -10.3494 -10.2897 -10.2897 -9.8910 -9.8909 -9.6490 -9.6489 -8.8559 -8.8559 -8.8295 -8.8295 -7.1294 -7.1278 -6.3975 -6.3956 -5.9077 -5.9029 -5.6083 -5.6055 -3.5628 -3.5627 -3.0855 -3.0855 -2.3984 -2.3947 -1.6703 -1.6697 -1.4909 -1.4897 -1.3260 -1.3252 2.1620 2.1644 2.3477 2.3477 2.5608 2.5615 3.1563 3.1564 3.4790 3.4790 k = 0.3966-0.0000 0.3206 ( 12440 PWs) bands (ev): -21.3126 -21.3126 -21.2474 -21.2473 -18.9265 -18.9265 -18.8847 -18.8847 -14.6372 -14.6371 -14.4740 -14.4740 -12.1272 -12.1272 -12.1094 -12.1094 -10.3510 -10.3510 -10.2909 -10.2909 -9.8678 -9.8677 -9.6275 -9.6274 -8.8560 -8.8560 -8.8296 -8.8296 -7.1317 -7.1302 -6.4018 -6.4000 -5.9297 -5.9254 -5.6269 -5.6244 -3.5617 -3.5616 -3.0867 -3.0867 -2.4078 -2.4046 -1.6496 -1.6490 -1.4884 -1.4875 -1.3099 -1.3090 2.1814 2.1838 2.3886 2.3887 2.5329 2.5339 3.1615 3.1616 3.4032 3.4032 k = 0.4138-0.0000 0.3206 ( 12434 PWs) bands (ev): -21.3122 -21.3122 -21.2470 -21.2470 -18.9264 -18.9264 -18.8846 -18.8846 -14.6433 -14.6433 -14.4789 -14.4788 -12.1264 -12.1264 -12.1096 -12.1096 -10.3524 -10.3524 -10.2919 -10.2919 -9.8475 -9.8474 -9.6087 -9.6087 -8.8560 -8.8560 -8.8298 -8.8298 -7.1338 -7.1325 -6.4057 -6.4042 -5.9484 -5.9448 -5.6429 -5.6408 -3.5607 -3.5606 -3.0878 -3.0877 -2.4160 -2.4133 -1.6305 -1.6300 -1.4874 -1.4866 -1.2960 -1.2953 2.2017 2.2040 2.4289 2.4289 2.5057 2.5068 3.1653 3.1654 3.3331 3.3332 k = 0.4310-0.0000 0.3206 ( 12434 PWs) bands (ev): -21.3119 -21.3119 -21.2467 -21.2467 -18.9263 -18.9263 -18.8846 -18.8846 -14.6484 -14.6484 -14.4829 -14.4829 -12.1257 -12.1257 -12.1099 -12.1099 -10.3536 -10.3536 -10.2928 -10.2928 -9.8303 -9.8302 -9.5930 -9.5929 -8.8561 -8.8561 -8.8299 -8.8299 -7.1358 -7.1347 -6.4091 -6.4079 -5.9639 -5.9609 -5.6561 -5.6544 -3.5599 -3.5598 -3.0886 -3.0886 -2.4227 -2.4205 -1.6135 -1.6130 -1.4876 -1.4869 -1.2847 -1.2840 2.2223 2.2246 2.4668 2.4670 2.4801 2.4811 3.1679 3.1680 3.2702 3.2702 k = 0.4483-0.0000 0.3206 ( 12428 PWs) bands (ev): -21.3116 -21.3116 -21.2465 -21.2465 -18.9263 -18.9263 -18.8845 -18.8845 -14.6525 -14.6524 -14.4861 -14.4861 -12.1252 -12.1252 -12.1101 -12.1101 -10.3545 -10.3545 -10.2935 -10.2935 -9.8167 -9.8166 -9.5805 -9.5805 -8.8562 -8.8562 -8.8300 -8.8300 -7.1374 -7.1366 -6.4119 -6.4110 -5.9759 -5.9736 -5.6665 -5.6652 -3.5593 -3.5592 -3.0893 -3.0893 -2.4280 -2.4263 -1.5990 -1.5986 -1.4887 -1.4882 -1.2757 -1.2752 2.2426 2.2446 2.4548 2.4561 2.5024 2.5024 3.1696 3.1698 3.2163 3.2164 k = 0.4655-0.0000 0.3206 ( 12448 PWs) bands (ev): -21.3114 -21.3114 -21.2463 -21.2463 -18.9262 -18.9262 -18.8845 -18.8845 -14.6554 -14.6553 -14.4884 -14.4884 -12.1248 -12.1248 -12.1102 -12.1102 -10.3552 -10.3552 -10.2939 -10.2939 -9.8067 -9.8067 -9.5715 -9.5714 -8.8562 -8.8562 -8.8301 -8.8301 -7.1386 -7.1381 -6.4140 -6.4133 -5.9844 -5.9828 -5.6739 -5.6730 -3.5588 -3.5587 -3.0898 -3.0898 -2.4317 -2.4306 -1.5876 -1.5873 -1.4903 -1.4899 -1.2693 -1.2689 2.2611 2.2627 2.4336 2.4348 2.5308 2.5308 3.1703 3.1704 3.1745 3.1746 k = 0.4828-0.0000 0.3206 ( 12456 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8845 -18.8845 -14.6571 -14.6571 -14.4898 -14.4898 -12.1246 -12.1246 -12.1103 -12.1103 -10.3556 -10.3556 -10.2943 -10.2943 -9.8007 -9.8007 -9.5660 -9.5660 -8.8562 -8.8562 -8.8301 -8.8301 -7.1393 -7.1391 -6.4152 -6.4149 -5.9894 -5.9886 -5.6782 -5.6778 -3.5585 -3.5585 -3.0901 -3.0901 -2.4338 -2.4333 -1.5802 -1.5801 -1.4917 -1.4915 -1.2654 -1.2652 2.2752 2.2761 2.4183 2.4191 2.5499 2.5499 3.1467 3.1467 3.1715 3.1715 k = 0.5000-0.0000 0.3206 ( 12456 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1245 -12.1245 -12.1103 -12.1103 -10.3557 -10.3557 -10.2944 -10.2944 -9.7987 -9.7987 -9.5641 -9.5641 -8.8562 -8.8562 -8.8301 -8.8301 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5584 -3.5584 -3.0902 -3.0902 -2.4344 -2.4344 -1.5776 -1.5776 -1.4922 -1.4922 -1.2640 -1.2640 2.2810 2.2810 2.4128 2.4128 2.5566 2.5566 3.1372 3.1372 3.1717 3.1717 k = 0.5000-0.0000 0.3206 ( 12456 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1245 -12.1245 -12.1103 -12.1103 -10.3557 -10.3557 -10.2944 -10.2944 -9.7987 -9.7987 -9.5641 -9.5641 -8.8562 -8.8562 -8.8301 -8.8301 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5584 -3.5584 -3.0902 -3.0902 -2.4344 -2.4344 -1.5776 -1.5776 -1.4922 -1.4922 -1.2640 -1.2640 2.2810 2.2810 2.4128 2.4128 2.5566 2.5566 3.1372 3.1372 3.1717 3.1717 k = 0.5000 0.0174 0.3206 ( 12436 PWs) bands (ev): -21.3112 -21.3112 -21.2463 -21.2463 -18.9261 -18.9261 -18.8845 -18.8845 -14.6575 -14.6575 -14.4905 -14.4905 -12.1245 -12.1245 -12.1104 -12.1104 -10.3556 -10.3556 -10.2944 -10.2944 -9.7983 -9.7983 -9.5644 -9.5644 -8.8562 -8.8562 -8.8302 -8.8302 -7.1386 -7.1386 -6.4166 -6.4166 -5.9904 -5.9904 -5.6801 -5.6801 -3.5578 -3.5578 -3.0909 -3.0909 -2.4327 -2.4327 -1.5775 -1.5775 -1.4923 -1.4923 -1.2657 -1.2657 2.2811 2.2811 2.4125 2.4125 2.5579 2.5579 3.1384 3.1384 3.1733 3.1733 k = 0.5000 0.0348 0.3206 ( 12440 PWs) bands (ev): -21.3109 -21.3109 -21.2466 -21.2466 -18.9260 -18.9260 -18.8847 -18.8847 -14.6568 -14.6568 -14.4912 -14.4912 -12.1244 -12.1244 -12.1104 -12.1104 -10.3553 -10.3553 -10.2947 -10.2947 -9.7973 -9.7973 -9.5654 -9.5654 -8.8561 -8.8561 -8.8303 -8.8303 -7.1359 -7.1359 -6.4201 -6.4201 -5.9893 -5.9893 -5.6817 -5.6817 -3.5560 -3.5560 -3.0930 -3.0930 -2.4278 -2.4278 -1.5771 -1.5771 -1.4926 -1.4926 -1.2708 -1.2708 2.2812 2.2812 2.4118 2.4118 2.5618 2.5618 3.1418 3.1418 3.1781 3.1781 k = 0.5000 0.0522 0.3206 ( 12452 PWs) bands (ev): -21.3105 -21.3105 -21.2470 -21.2470 -18.9257 -18.9257 -18.8850 -18.8850 -14.6557 -14.6557 -14.4924 -14.4924 -12.1244 -12.1244 -12.1106 -12.1106 -10.3549 -10.3549 -10.2951 -10.2951 -9.7956 -9.7956 -9.5669 -9.5669 -8.8559 -8.8559 -8.8305 -8.8305 -7.1315 -7.1315 -6.4258 -6.4258 -5.9874 -5.9874 -5.6843 -5.6843 -3.5529 -3.5529 -3.0966 -3.0966 -2.4197 -2.4197 -1.5764 -1.5764 -1.4930 -1.4930 -1.2792 -1.2792 2.2816 2.2816 2.4105 2.4105 2.5683 2.5683 3.1476 3.1476 3.1860 3.1860 k = 0.5000 0.0696 0.3206 ( 12456 PWs) bands (ev): -21.3099 -21.3099 -21.2477 -21.2477 -18.9253 -18.9253 -18.8854 -18.8854 -14.6541 -14.6541 -14.4941 -14.4941 -12.1243 -12.1243 -12.1108 -12.1108 -10.3543 -10.3543 -10.2957 -10.2957 -9.7932 -9.7932 -9.5691 -9.5691 -8.8557 -8.8557 -8.8308 -8.8308 -7.1252 -7.1252 -6.4337 -6.4337 -5.9848 -5.9848 -5.6880 -5.6880 -3.5487 -3.5487 -3.1015 -3.1015 -2.4084 -2.4084 -1.5756 -1.5756 -1.4935 -1.4935 -1.2909 -1.2909 2.2821 2.2821 2.4088 2.4088 2.5774 2.5774 3.1556 3.1556 3.1971 3.1971 k = 0.5000 0.0870 0.3206 ( 12448 PWs) bands (ev): -21.3091 -21.3091 -21.2485 -21.2485 -18.9248 -18.9248 -18.8859 -18.8859 -14.6521 -14.6521 -14.4962 -14.4962 -12.1242 -12.1242 -12.1110 -12.1110 -10.3535 -10.3535 -10.2964 -10.2964 -9.7902 -9.7902 -9.5719 -9.5719 -8.8554 -8.8554 -8.8311 -8.8311 -7.1173 -7.1173 -6.4438 -6.4438 -5.9815 -5.9815 -5.6926 -5.6926 -3.5433 -3.5433 -3.1078 -3.1078 -2.3940 -2.3940 -1.5744 -1.5744 -1.4943 -1.4943 -1.3058 -1.3058 2.2828 2.2828 2.4066 2.4066 2.5891 2.5891 3.1659 3.1659 3.2111 3.2111 k = 0.5000 0.1044 0.3206 ( 12452 PWs) bands (ev): -21.3081 -21.3081 -21.2495 -21.2495 -18.9241 -18.9241 -18.8865 -18.8865 -14.6496 -14.6496 -14.4988 -14.4988 -12.1241 -12.1241 -12.1113 -12.1113 -10.3526 -10.3526 -10.2974 -10.2974 -9.7865 -9.7865 -9.5752 -9.5752 -8.8550 -8.8550 -8.8315 -8.8315 -7.1076 -7.1076 -6.4560 -6.4560 -5.9775 -5.9775 -5.6982 -5.6982 -3.5368 -3.5368 -3.1153 -3.1153 -2.3766 -2.3766 -1.5731 -1.5731 -1.4952 -1.4952 -1.3238 -1.3238 2.2836 2.2836 2.4040 2.4040 2.6034 2.6034 3.1784 3.1784 3.2281 3.2281 k = 0.5000 0.1219 0.3206 ( 12444 PWs) bands (ev): -21.3070 -21.3070 -21.2506 -21.2506 -18.9234 -18.9234 -18.8873 -18.8873 -14.6468 -14.6468 -14.5018 -14.5018 -12.1239 -12.1239 -12.1116 -12.1116 -10.3515 -10.3515 -10.2984 -10.2984 -9.7822 -9.7822 -9.5791 -9.5791 -8.8546 -8.8546 -8.8320 -8.8320 -7.0963 -7.0963 -6.4701 -6.4701 -5.9728 -5.9728 -5.7047 -5.7047 -3.5291 -3.5291 -3.1241 -3.1241 -2.3563 -2.3563 -1.5716 -1.5716 -1.4963 -1.4963 -1.3447 -1.3447 2.2847 2.2847 2.4009 2.4009 2.6203 2.6203 3.1932 3.1932 3.2478 3.2478 k = 0.5000 0.1393 0.3206 ( 12456 PWs) bands (ev): -21.3057 -21.3057 -21.2519 -21.2519 -18.9226 -18.9226 -18.8881 -18.8881 -14.6435 -14.6435 -14.5052 -14.5052 -12.1238 -12.1238 -12.1120 -12.1120 -10.3503 -10.3503 -10.2996 -10.2996 -9.7773 -9.7773 -9.5836 -9.5836 -8.8541 -8.8541 -8.8326 -8.8326 -7.0833 -7.0833 -6.4861 -6.4861 -5.9674 -5.9674 -5.7119 -5.7119 -3.5204 -3.5204 -3.1342 -3.1342 -2.3332 -2.3332 -1.5699 -1.5699 -1.4976 -1.4976 -1.3684 -1.3684 2.2861 2.2861 2.3974 2.3974 2.6398 2.6398 3.2101 3.2101 3.2701 3.2701 k = 0.5000 0.1567 0.3206 ( 12444 PWs) bands (ev): -21.3043 -21.3043 -21.2534 -21.2534 -18.9217 -18.9217 -18.8890 -18.8890 -14.6399 -14.6399 -14.5090 -14.5090 -12.1236 -12.1236 -12.1124 -12.1124 -10.3489 -10.3489 -10.3010 -10.3010 -9.7719 -9.7719 -9.5886 -9.5886 -8.8535 -8.8535 -8.8331 -8.8331 -7.0688 -7.0688 -6.5039 -6.5039 -5.9614 -5.9614 -5.7200 -5.7200 -3.5106 -3.5106 -3.1453 -3.1453 -2.3075 -2.3075 -1.5682 -1.5682 -1.4990 -1.4990 -1.3946 -1.3946 2.2877 2.2877 2.3936 2.3936 2.6619 2.6619 3.2292 3.2292 3.2949 3.2949 k = 0.5000 0.1741 0.3206 ( 12440 PWs) bands (ev): -21.3027 -21.3027 -21.2550 -21.2550 -18.9207 -18.9207 -18.8900 -18.8900 -14.6359 -14.6359 -14.5131 -14.5131 -12.1234 -12.1234 -12.1129 -12.1129 -10.3474 -10.3474 -10.3025 -10.3025 -9.7659 -9.7659 -9.5941 -9.5941 -8.8529 -8.8529 -8.8338 -8.8338 -7.0527 -7.0527 -6.5233 -6.5233 -5.9547 -5.9547 -5.7287 -5.7287 -3.4998 -3.4998 -3.1574 -3.1574 -2.2793 -2.2793 -1.5664 -1.5664 -1.5008 -1.5008 -1.4231 -1.4231 2.2896 2.2896 2.3894 2.3894 2.6865 2.6865 3.2502 3.2502 3.3218 3.3218 k = 0.5000 0.1915 0.3206 ( 12440 PWs) bands (ev): -21.3010 -21.3010 -21.2567 -21.2567 -18.9196 -18.9196 -18.8912 -18.8912 -14.6315 -14.6315 -14.5176 -14.5176 -12.1231 -12.1231 -12.1134 -12.1134 -10.3458 -10.3458 -10.3041 -10.3041 -9.7595 -9.7595 -9.6000 -9.6000 -8.8523 -8.8523 -8.8345 -8.8345 -7.0352 -7.0352 -6.5442 -6.5442 -5.9474 -5.9474 -5.7380 -5.7380 -3.4881 -3.4881 -3.1705 -3.1705 -2.2488 -2.2488 -1.5650 -1.5650 -1.5028 -1.5028 -1.4534 -1.4534 2.2919 2.2919 2.3848 2.3848 2.7138 2.7138 3.2731 3.2731 3.3506 3.3506 k = 0.5000 0.2089 0.3206 ( 12448 PWs) bands (ev): -21.2992 -21.2992 -21.2586 -21.2586 -18.9184 -18.9184 -18.8923 -18.8923 -14.6268 -14.6268 -14.5225 -14.5225 -12.1228 -12.1228 -12.1139 -12.1139 -10.3441 -10.3441 -10.3058 -10.3058 -9.7526 -9.7526 -9.6065 -9.6065 -8.8516 -8.8516 -8.8353 -8.8353 -7.0163 -7.0163 -6.5664 -6.5664 -5.9395 -5.9395 -5.7479 -5.7479 -3.4756 -3.4756 -3.1845 -3.1845 -2.2162 -2.2162 -1.5644 -1.5644 -1.5058 -1.5058 -1.4839 -1.4839 2.2944 2.2944 2.3800 2.3800 2.7436 2.7436 3.2974 3.2974 3.3811 3.3811 k = 0.5000 0.2263 0.3206 ( 12456 PWs) bands (ev): -21.2973 -21.2973 -21.2606 -21.2606 -18.9171 -18.9171 -18.8936 -18.8936 -14.6219 -14.6219 -14.5276 -14.5276 -12.1225 -12.1225 -12.1144 -12.1144 -10.3422 -10.3422 -10.3076 -10.3076 -9.7453 -9.7453 -9.6133 -9.6133 -8.8508 -8.8508 -8.8361 -8.8361 -6.9962 -6.9962 -6.5898 -6.5898 -5.9311 -5.9311 -5.7582 -5.7582 -3.4621 -3.4621 -3.1993 -3.1993 -2.1816 -2.1816 -1.5672 -1.5672 -1.5183 -1.5183 -1.5035 -1.5035 2.2973 2.2973 2.3750 2.3750 2.7760 2.7760 3.3226 3.3226 3.4130 3.4130 k = 0.5000 0.2437 0.3206 ( 12456 PWs) bands (ev): -21.2952 -21.2952 -21.2627 -21.2627 -18.9158 -18.9158 -18.8949 -18.8949 -14.6167 -14.6167 -14.5330 -14.5330 -12.1222 -12.1222 -12.1150 -12.1150 -10.3403 -10.3403 -10.3096 -10.3096 -9.7377 -9.7377 -9.6205 -9.6205 -8.8500 -8.8500 -8.8369 -8.8369 -6.9748 -6.9748 -6.6143 -6.6143 -5.9222 -5.9222 -5.7689 -5.7689 -3.4480 -3.4480 -3.2147 -3.2147 -2.1452 -2.1452 -1.5818 -1.5818 -1.5363 -1.5363 -1.5076 -1.5076 2.3005 2.3005 2.3698 2.3698 2.8109 2.8109 3.3469 3.3469 3.4460 3.4460 k = 0.5000 0.2611 0.3206 ( 12444 PWs) bands (ev): -21.2931 -21.2931 -21.2648 -21.2648 -18.9144 -18.9144 -18.8963 -18.8963 -14.6112 -14.6112 -14.5386 -14.5386 -12.1218 -12.1218 -12.1155 -12.1155 -10.3382 -10.3382 -10.3116 -10.3116 -9.7298 -9.7298 -9.6281 -9.6281 -8.8492 -8.8492 -8.8378 -8.8378 -6.9523 -6.9523 -6.6396 -6.6396 -5.9128 -5.9128 -5.7799 -5.7799 -3.4331 -3.4331 -3.2307 -3.2307 -2.1073 -2.1073 -1.6122 -1.6122 -1.5414 -1.5414 -1.5104 -1.5104 2.3041 2.3041 2.3644 2.3644 2.8483 2.8483 3.3654 3.3654 3.4798 3.4798 k = 0.5000 0.2785 0.3206 ( 12456 PWs) bands (ev): -21.2909 -21.2909 -21.2671 -21.2671 -18.9130 -18.9130 -18.8978 -18.8978 -14.6055 -14.6055 -14.5444 -14.5444 -12.1214 -12.1214 -12.1161 -12.1161 -10.3361 -10.3361 -10.3137 -10.3137 -9.7216 -9.7216 -9.6359 -9.6359 -8.8483 -8.8483 -8.8387 -8.8387 -6.9288 -6.9288 -6.6655 -6.6655 -5.9030 -5.9030 -5.7912 -5.7912 -3.4176 -3.4176 -3.2472 -3.2472 -2.0679 -2.0679 -1.6494 -1.6494 -1.5411 -1.5411 -1.5131 -1.5131 2.3080 2.3080 2.3589 2.3589 2.8882 2.8882 3.3646 3.3646 3.5080 3.5080 k = 0.5000 0.2959 0.3206 ( 12464 PWs) bands (ev): -21.2886 -21.2886 -21.2694 -21.2694 -18.9115 -18.9115 -18.8992 -18.8992 -14.5997 -14.5997 -14.5503 -14.5503 -12.1210 -12.1210 -12.1167 -12.1167 -10.3339 -10.3339 -10.3159 -10.3159 -9.7132 -9.7132 -9.6441 -9.6441 -8.8474 -8.8474 -8.8397 -8.8397 -6.9044 -6.9044 -6.6921 -6.6921 -5.8927 -5.8927 -5.8026 -5.8026 -3.4015 -3.4015 -3.2641 -3.2641 -2.0275 -2.0275 -1.6893 -1.6893 -1.5391 -1.5391 -1.5159 -1.5159 2.3121 2.3121 2.3533 2.3533 2.9306 2.9306 3.3331 3.3331 3.5127 3.5127 k = 0.5000 0.3133 0.3206 ( 12432 PWs) bands (ev): -21.2862 -21.2862 -21.2717 -21.2717 -18.9100 -18.9100 -18.9007 -18.9007 -14.5937 -14.5937 -14.5564 -14.5564 -12.1205 -12.1205 -12.1173 -12.1173 -10.3317 -10.3317 -10.3181 -10.3181 -9.7046 -9.7046 -9.6524 -9.6524 -8.8464 -8.8464 -8.8406 -8.8406 -6.8792 -6.8792 -6.7189 -6.7189 -5.8821 -5.8821 -5.8141 -5.8141 -3.3850 -3.3850 -3.2813 -3.2813 -1.9860 -1.9860 -1.7305 -1.7305 -1.5366 -1.5366 -1.5188 -1.5188 2.3166 2.3166 2.3478 2.3478 2.9754 2.9754 3.2843 3.2843 3.5390 3.5390 k = 0.5000 0.3308 0.3206 ( 12420 PWs) bands (ev): -21.2838 -21.2838 -21.2741 -21.2741 -18.9085 -18.9085 -18.9023 -18.9023 -14.5875 -14.5875 -14.5626 -14.5626 -12.1200 -12.1200 -12.1178 -12.1178 -10.3294 -10.3294 -10.3203 -10.3203 -9.6959 -9.6959 -9.6609 -9.6609 -8.8455 -8.8455 -8.8416 -8.8416 -6.8533 -6.8533 -6.7460 -6.7460 -5.8712 -5.8712 -5.8257 -5.8257 -3.3681 -3.3681 -3.2987 -3.2987 -1.9439 -1.9439 -1.7727 -1.7727 -1.5338 -1.5338 -1.5217 -1.5217 2.3214 2.3214 2.3423 2.3423 3.0225 3.0225 3.2306 3.2306 3.5746 3.5746 k = 0.5000 0.3482 0.3206 ( 12420 PWs) bands (ev): -21.2814 -21.2814 -21.2766 -21.2766 -18.9070 -18.9070 -18.9038 -18.9038 -14.5813 -14.5813 -14.5688 -14.5688 -12.1195 -12.1195 -12.1184 -12.1184 -10.3272 -10.3272 -10.3226 -10.3226 -9.6871 -9.6871 -9.6696 -9.6696 -8.8445 -8.8445 -8.8426 -8.8426 -6.8270 -6.8270 -6.7732 -6.7732 -5.8601 -5.8601 -5.8373 -5.8373 -3.3509 -3.3509 -3.3161 -3.3161 -1.9012 -1.9012 -1.8154 -1.8154 -1.5308 -1.5308 -1.5247 -1.5247 2.3263 2.3263 2.3368 2.3368 3.0718 3.0718 3.1764 3.1764 3.6152 3.6152 k = 0.5000 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1189 -12.1189 -12.1189 -12.1189 -10.3249 -10.3249 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8436 -8.8436 -8.8435 -8.8435 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3336 -3.3336 -3.3336 -3.3336 -1.8583 -1.8583 -1.8583 -1.8583 -1.5278 -1.5278 -1.5278 -1.5278 2.3315 2.3315 2.3315 2.3315 3.1230 3.1230 3.1235 3.1235 3.6589 3.6590 k = 0.5000 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1189 -12.1189 -12.1189 -12.1189 -10.3249 -10.3249 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8436 -8.8436 -8.8435 -8.8435 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3336 -3.3336 -3.3336 -3.3336 -1.8583 -1.8583 -1.8583 -1.8583 -1.5278 -1.5278 -1.5278 -1.5278 2.3315 2.3315 2.3315 2.3315 3.1230 3.1230 3.1235 3.1235 3.6589 3.6590 k = 0.4828 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5746 -14.5746 -14.5746 -14.5746 -12.1190 -12.1190 -12.1190 -12.1190 -10.3248 -10.3248 -10.3247 -10.3247 -9.6803 -9.6803 -9.6803 -9.6803 -8.8435 -8.8435 -8.8435 -8.8435 -6.8000 -6.7999 -6.7997 -6.7996 -5.8474 -5.8473 -5.8468 -5.8468 -3.3336 -3.3336 -3.3336 -3.3336 -1.8586 -1.8586 -1.8582 -1.8582 -1.5288 -1.5288 -1.5287 -1.5287 2.3308 2.3309 2.3310 2.3311 3.1158 3.1158 3.1163 3.1163 3.6685 3.6686 k = 0.4655 0.3656 0.3206 ( 12412 PWs) bands (ev): -21.2791 -21.2791 -21.2791 -21.2791 -18.9054 -18.9054 -18.9054 -18.9054 -14.5730 -14.5730 -14.5730 -14.5730 -12.1190 -12.1190 -12.1190 -12.1190 -10.3244 -10.3244 -10.3244 -10.3244 -9.6862 -9.6861 -9.6861 -9.6861 -8.8435 -8.8435 -8.8435 -8.8435 -6.7989 -6.7989 -6.7984 -6.7983 -5.8425 -5.8425 -5.8414 -5.8414 -3.3337 -3.3337 -3.3337 -3.3337 -1.8591 -1.8591 -1.8582 -1.8582 -1.5316 -1.5316 -1.5315 -1.5315 2.3290 2.3291 2.3295 2.3296 3.0956 3.0956 3.0962 3.0962 3.6799 3.6799 k = 0.4483 0.3656 0.3206 ( 12412 PWs) bands (ev): -21.2793 -21.2793 -21.2793 -21.2793 -18.9055 -18.9055 -18.9055 -18.9055 -14.5704 -14.5704 -14.5704 -14.5704 -12.1191 -12.1191 -12.1191 -12.1191 -10.3238 -10.3238 -10.3238 -10.3238 -9.6958 -9.6958 -9.6958 -9.6958 -8.8435 -8.8435 -8.8434 -8.8434 -6.7972 -6.7972 -6.7964 -6.7964 -5.8343 -5.8343 -5.8326 -5.8326 -3.3339 -3.3339 -3.3338 -3.3338 -1.8597 -1.8597 -1.8584 -1.8584 -1.5364 -1.5364 -1.5362 -1.5362 2.3263 2.3264 2.3270 2.3271 3.0659 3.0659 3.0664 3.0664 3.6846 3.6846 k = 0.4310 0.3656 0.3206 ( 12420 PWs) bands (ev): -21.2796 -21.2796 -21.2796 -21.2796 -18.9055 -18.9055 -18.9055 -18.9055 -14.5668 -14.5668 -14.5667 -14.5667 -12.1193 -12.1193 -12.1193 -12.1193 -10.3230 -10.3230 -10.3230 -10.3230 -9.7091 -9.7091 -9.7091 -9.7091 -8.8434 -8.8434 -8.8434 -8.8434 -6.7949 -6.7949 -6.7938 -6.7938 -5.8228 -5.8227 -5.8205 -5.8205 -3.3341 -3.3341 -3.3341 -3.3341 -1.8606 -1.8606 -1.8588 -1.8588 -1.5429 -1.5429 -1.5426 -1.5426 2.3226 2.3227 2.3236 2.3236 3.0299 3.0299 3.0304 3.0304 3.6907 3.6908 k = 0.4138 0.3656 0.3206 ( 12396 PWs) bands (ev): -21.2799 -21.2799 -21.2799 -21.2799 -18.9056 -18.9056 -18.9056 -18.9056 -14.5622 -14.5622 -14.5621 -14.5621 -12.1195 -12.1195 -12.1195 -12.1195 -10.3220 -10.3220 -10.3220 -10.3220 -9.7258 -9.7258 -9.7258 -9.7258 -8.8433 -8.8433 -8.8433 -8.8433 -6.7921 -6.7921 -6.7908 -6.7908 -5.8080 -5.8079 -5.8052 -5.8052 -3.3344 -3.3344 -3.3343 -3.3343 -1.8616 -1.8616 -1.8595 -1.8595 -1.5511 -1.5511 -1.5508 -1.5508 2.3182 2.3182 2.3193 2.3194 2.9904 2.9904 2.9909 2.9909 3.6984 3.6984 k = 0.3966 0.3656 0.3206 ( 12400 PWs) bands (ev): -21.2802 -21.2802 -21.2802 -21.2802 -18.9057 -18.9057 -18.9057 -18.9057 -14.5567 -14.5567 -14.5566 -14.5566 -12.1197 -12.1197 -12.1197 -12.1197 -10.3208 -10.3208 -10.3207 -10.3207 -9.7456 -9.7456 -9.7456 -9.7456 -8.8432 -8.8432 -8.8432 -8.8432 -6.7889 -6.7889 -6.7874 -6.7874 -5.7900 -5.7900 -5.7868 -5.7868 -3.3348 -3.3348 -3.3346 -3.3346 -1.8630 -1.8630 -1.8605 -1.8605 -1.5609 -1.5609 -1.5605 -1.5605 2.3131 2.3131 2.3144 2.3145 2.9493 2.9493 2.9498 2.9498 3.7074 3.7074 k = 0.3793 0.3656 0.3206 ( 12412 PWs) bands (ev): -21.2807 -21.2807 -21.2807 -21.2807 -18.9058 -18.9058 -18.9058 -18.9058 -14.5503 -14.5503 -14.5502 -14.5502 -12.1200 -12.1200 -12.1200 -12.1200 -10.3194 -10.3194 -10.3193 -10.3193 -9.7683 -9.7683 -9.7683 -9.7683 -8.8430 -8.8430 -8.8430 -8.8430 -6.7856 -6.7855 -6.7839 -6.7839 -5.7691 -5.7691 -5.7655 -5.7655 -3.3352 -3.3352 -3.3350 -3.3350 -1.8647 -1.8647 -1.8618 -1.8618 -1.5722 -1.5722 -1.5717 -1.5717 2.3075 2.3076 2.3091 2.3091 2.9078 2.9078 2.9082 2.9083 3.7174 3.7175 k = 0.3621 0.3656 0.3206 ( 12412 PWs) bands (ev): -21.2812 -21.2812 -21.2812 -21.2811 -18.9059 -18.9059 -18.9059 -18.9059 -14.5430 -14.5430 -14.5429 -14.5429 -12.1203 -12.1203 -12.1203 -12.1203 -10.3178 -10.3178 -10.3177 -10.3177 -9.7935 -9.7935 -9.7935 -9.7935 -8.8429 -8.8429 -8.8429 -8.8429 -6.7821 -6.7821 -6.7803 -6.7803 -5.7455 -5.7455 -5.7415 -5.7415 -3.3356 -3.3356 -3.3355 -3.3355 -1.8668 -1.8668 -1.8635 -1.8635 -1.5848 -1.5848 -1.5842 -1.5842 2.3017 2.3018 2.3034 2.3035 2.8667 2.8667 2.8671 2.8671 3.7283 3.7283 k = 0.3448 0.3656 0.3206 ( 12432 PWs) bands (ev): -21.2817 -21.2817 -21.2817 -21.2817 -18.9061 -18.9061 -18.9060 -18.9060 -14.5351 -14.5351 -14.5350 -14.5350 -12.1207 -12.1207 -12.1207 -12.1206 -10.3161 -10.3161 -10.3160 -10.3160 -9.8209 -9.8209 -9.8208 -9.8208 -8.8427 -8.8427 -8.8427 -8.8427 -6.7787 -6.7787 -6.7768 -6.7768 -5.7192 -5.7192 -5.7150 -5.7149 -3.3361 -3.3361 -3.3359 -3.3359 -1.8693 -1.8692 -1.8657 -1.8657 -1.5985 -1.5984 -1.5978 -1.5978 2.2958 2.2959 2.2976 2.2977 2.8264 2.8265 2.8269 2.8269 3.7398 3.7398 k = 0.3276 0.3656 0.3206 ( 12444 PWs) bands (ev): -21.2823 -21.2823 -21.2823 -21.2822 -18.9062 -18.9062 -18.9062 -18.9062 -14.5265 -14.5264 -14.5263 -14.5263 -12.1210 -12.1210 -12.1210 -12.1210 -10.3142 -10.3142 -10.3142 -10.3142 -9.8500 -9.8500 -9.8500 -9.8500 -8.8426 -8.8426 -8.8426 -8.8426 -6.7755 -6.7755 -6.7735 -6.7735 -5.6907 -5.6907 -5.6862 -5.6862 -3.3366 -3.3366 -3.3364 -3.3364 -1.8722 -1.8722 -1.8684 -1.8684 -1.6131 -1.6131 -1.6124 -1.6124 2.2901 2.2901 2.2920 2.2920 2.7875 2.7875 2.7879 2.7879 3.7516 3.7516 k = 0.3103 0.3656 0.3206 ( 12432 PWs) bands (ev): -21.2829 -21.2829 -21.2828 -21.2828 -18.9063 -18.9063 -18.9063 -18.9063 -14.5172 -14.5172 -14.5171 -14.5171 -12.1214 -12.1214 -12.1214 -12.1214 -10.3122 -10.3122 -10.3122 -10.3122 -9.8805 -9.8805 -9.8805 -9.8805 -8.8424 -8.8424 -8.8424 -8.8424 -6.7725 -6.7725 -6.7705 -6.7705 -5.6602 -5.6602 -5.6555 -5.6555 -3.3371 -3.3371 -3.3369 -3.3369 -1.8757 -1.8757 -1.8716 -1.8716 -1.6285 -1.6285 -1.6278 -1.6278 2.2846 2.2846 2.2866 2.2866 2.7500 2.7500 2.7504 2.7505 3.7634 3.7634 k = 0.2931 0.3656 0.3206 ( 12428 PWs) bands (ev): -21.2835 -21.2835 -21.2835 -21.2835 -18.9065 -18.9065 -18.9065 -18.9065 -14.5076 -14.5076 -14.5074 -14.5074 -12.1219 -12.1219 -12.1219 -12.1219 -10.3101 -10.3101 -10.3101 -10.3101 -9.9119 -9.9119 -9.9119 -9.9119 -8.8422 -8.8422 -8.8422 -8.8422 -6.7698 -6.7698 -6.7678 -6.7678 -5.6281 -5.6281 -5.6232 -5.6232 -3.3377 -3.3377 -3.3375 -3.3375 -1.8797 -1.8797 -1.8754 -1.8754 -1.6445 -1.6445 -1.6437 -1.6437 2.2795 2.2796 2.2816 2.2816 2.7142 2.7142 2.7146 2.7147 3.7750 3.7750 k = 0.2759 0.3656 0.3206 ( 12436 PWs) bands (ev): -21.2841 -21.2841 -21.2841 -21.2841 -18.9067 -18.9067 -18.9066 -18.9066 -14.4975 -14.4975 -14.4974 -14.4974 -12.1224 -12.1223 -12.1223 -12.1223 -10.3080 -10.3080 -10.3080 -10.3080 -9.9440 -9.9440 -9.9440 -9.9440 -8.8420 -8.8420 -8.8420 -8.8420 -6.7675 -6.7675 -6.7654 -6.7654 -5.5947 -5.5947 -5.5897 -5.5897 -3.3383 -3.3383 -3.3381 -3.3381 -1.8842 -1.8842 -1.8797 -1.8797 -1.6609 -1.6609 -1.6601 -1.6601 2.2751 2.2752 2.2772 2.2772 2.6802 2.6802 2.6806 2.6806 3.7859 3.7864 k = 0.2586 0.3656 0.3206 ( 12432 PWs) bands (ev): -21.2848 -21.2848 -21.2848 -21.2848 -18.9068 -18.9068 -18.9068 -18.9068 -14.4872 -14.4872 -14.4871 -14.4870 -12.1228 -12.1228 -12.1228 -12.1228 -10.3058 -10.3058 -10.3058 -10.3058 -9.9764 -9.9764 -9.9764 -9.9764 -8.8418 -8.8418 -8.8417 -8.8417 -6.7655 -6.7655 -6.7635 -6.7635 -5.5604 -5.5604 -5.5554 -5.5554 -3.3388 -3.3388 -3.3386 -3.3386 -1.8893 -1.8892 -1.8846 -1.8846 -1.6774 -1.6774 -1.6766 -1.6766 2.2713 2.2714 2.2734 2.2735 2.6481 2.6481 2.6485 2.6485 3.7959 3.7959 k = 0.2414 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2854 -21.2854 -21.2854 -21.2854 -18.9070 -18.9070 -18.9070 -18.9070 -14.4767 -14.4767 -14.4766 -14.4766 -12.1233 -12.1233 -12.1233 -12.1233 -10.3037 -10.3037 -10.3036 -10.3036 -10.0085 -10.0085 -10.0085 -10.0085 -8.8415 -8.8415 -8.8415 -8.8415 -6.7639 -6.7638 -6.7619 -6.7619 -5.5257 -5.5257 -5.5207 -5.5207 -3.3394 -3.3394 -3.3392 -3.3392 -1.8948 -1.8948 -1.8901 -1.8901 -1.6939 -1.6939 -1.6931 -1.6931 2.2683 2.2684 2.2704 2.2705 2.6178 2.6178 2.6182 2.6183 3.8048 3.8050 k = 0.2241 0.3656 0.3206 ( 12432 PWs) bands (ev): -21.2861 -21.2861 -21.2861 -21.2861 -18.9071 -18.9071 -18.9071 -18.9071 -14.4663 -14.4662 -14.4661 -14.4661 -12.1238 -12.1238 -12.1238 -12.1238 -10.3015 -10.3015 -10.3014 -10.3014 -10.0402 -10.0402 -10.0402 -10.0402 -8.8413 -8.8413 -8.8413 -8.8413 -6.7626 -6.7626 -6.7607 -6.7607 -5.4909 -5.4908 -5.4860 -5.4859 -3.3400 -3.3400 -3.3398 -3.3398 -1.9008 -1.9008 -1.8960 -1.8960 -1.7103 -1.7103 -1.7094 -1.7094 2.2662 2.2662 2.2682 2.2682 2.5896 2.5896 2.5900 2.5900 3.8123 3.8123 k = 0.2069 0.3656 0.3206 ( 12436 PWs) bands (ev): -21.2867 -21.2867 -21.2867 -21.2867 -18.9073 -18.9073 -18.9073 -18.9073 -14.4559 -14.4559 -14.4557 -14.4557 -12.1243 -12.1243 -12.1243 -12.1243 -10.2993 -10.2993 -10.2993 -10.2993 -10.0711 -10.0711 -10.0710 -10.0710 -8.8411 -8.8411 -8.8411 -8.8411 -6.7616 -6.7616 -6.7598 -6.7598 -5.4564 -5.4564 -5.4516 -5.4516 -3.3406 -3.3406 -3.3404 -3.3403 -1.9071 -1.9071 -1.9024 -1.9024 -1.7262 -1.7262 -1.7253 -1.7253 2.2648 2.2649 2.2668 2.2668 2.5633 2.5633 2.5637 2.5638 3.8181 3.8182 k = 0.1897 0.3656 0.3206 ( 12436 PWs) bands (ev): -21.2874 -21.2874 -21.2874 -21.2874 -18.9074 -18.9074 -18.9074 -18.9074 -14.4457 -14.4457 -14.4456 -14.4456 -12.1248 -12.1248 -12.1248 -12.1248 -10.2973 -10.2973 -10.2972 -10.2972 -10.1007 -10.1007 -10.1007 -10.1007 -8.8409 -8.8409 -8.8409 -8.8409 -6.7609 -6.7609 -6.7592 -6.7592 -5.4227 -5.4227 -5.4182 -5.4182 -3.3411 -3.3411 -3.3409 -3.3409 -1.9137 -1.9137 -1.9091 -1.9091 -1.7415 -1.7415 -1.7406 -1.7406 2.2643 2.2643 2.2662 2.2662 2.5391 2.5391 2.5395 2.5395 3.8224 3.8225 k = 0.1724 0.3656 0.3206 ( 12428 PWs) bands (ev): -21.2880 -21.2880 -21.2880 -21.2880 -18.9076 -18.9076 -18.9076 -18.9076 -14.4359 -14.4359 -14.4358 -14.4358 -12.1253 -12.1253 -12.1253 -12.1253 -10.2953 -10.2953 -10.2952 -10.2952 -10.1289 -10.1289 -10.1289 -10.1289 -8.8407 -8.8407 -8.8407 -8.8407 -6.7604 -6.7604 -6.7589 -6.7589 -5.3903 -5.3903 -5.3859 -5.3859 -3.3416 -3.3416 -3.3414 -3.3414 -1.9204 -1.9204 -1.9160 -1.9160 -1.7562 -1.7561 -1.7553 -1.7553 2.2645 2.2645 2.2663 2.2663 2.5170 2.5170 2.5174 2.5174 3.8249 3.8250 k = 0.1552 0.3656 0.3206 ( 12436 PWs) bands (ev): -21.2885 -21.2885 -21.2885 -21.2885 -18.9077 -18.9077 -18.9077 -18.9077 -14.4266 -14.4266 -14.4264 -14.4264 -12.1258 -12.1258 -12.1258 -12.1258 -10.2934 -10.2934 -10.2934 -10.2934 -10.1553 -10.1553 -10.1553 -10.1553 -8.8405 -8.8405 -8.8405 -8.8405 -6.7602 -6.7601 -6.7588 -6.7587 -5.3594 -5.3594 -5.3553 -5.3553 -3.3421 -3.3421 -3.3419 -3.3419 -1.9272 -1.9271 -1.9229 -1.9229 -1.7699 -1.7699 -1.7690 -1.7690 2.2653 2.2654 2.2670 2.2671 2.4969 2.4969 2.4973 2.4973 3.8258 3.8259 k = 0.1379 0.3656 0.3206 ( 12432 PWs) bands (ev): -21.2891 -21.2891 -21.2890 -21.2890 -18.9078 -18.9078 -18.9078 -18.9078 -14.4178 -14.4178 -14.4177 -14.4177 -12.1262 -12.1262 -12.1262 -12.1262 -10.2916 -10.2916 -10.2916 -10.2916 -10.1797 -10.1797 -10.1797 -10.1797 -8.8403 -8.8403 -8.8403 -8.8403 -6.7601 -6.7600 -6.7588 -6.7588 -5.3305 -5.3305 -5.3268 -5.3268 -3.3425 -3.3425 -3.3423 -3.3423 -1.9337 -1.9337 -1.9298 -1.9298 -1.7825 -1.7825 -1.7817 -1.7817 2.2667 2.2668 2.2683 2.2683 2.4789 2.4789 2.4793 2.4793 3.8253 3.8263 k = 0.1207 0.3656 0.3206 ( 12428 PWs) bands (ev): -21.2895 -21.2895 -21.2895 -21.2895 -18.9080 -18.9080 -18.9079 -18.9079 -14.4098 -14.4098 -14.4097 -14.4097 -12.1267 -12.1266 -12.1266 -12.1266 -10.2901 -10.2901 -10.2900 -10.2900 -10.2018 -10.2018 -10.2018 -10.2018 -8.8402 -8.8402 -8.8401 -8.8401 -6.7601 -6.7600 -6.7589 -6.7589 -5.3041 -5.3040 -5.3007 -5.3007 -3.3429 -3.3429 -3.3427 -3.3427 -1.9400 -1.9400 -1.9364 -1.9364 -1.7940 -1.7940 -1.7933 -1.7933 2.2685 2.2685 2.2699 2.2699 2.4630 2.4630 2.4634 2.4634 3.8236 3.8236 k = 0.1034 0.3656 0.3206 ( 12436 PWs) bands (ev): -21.2900 -21.2900 -21.2900 -21.2899 -18.9081 -18.9081 -18.9081 -18.9081 -14.4026 -14.4026 -14.4025 -14.4025 -12.1270 -12.1270 -12.1270 -12.1270 -10.2887 -10.2887 -10.2886 -10.2886 -10.2214 -10.2214 -10.2214 -10.2214 -8.8400 -8.8400 -8.8400 -8.8400 -6.7601 -6.7601 -6.7592 -6.7592 -5.2803 -5.2803 -5.2773 -5.2773 -3.3433 -3.3433 -3.3431 -3.3431 -1.9458 -1.9458 -1.9426 -1.9426 -1.8042 -1.8042 -1.8035 -1.8035 2.2705 2.2706 2.2717 2.2718 2.4492 2.4492 2.4496 2.4496 3.8210 3.8211 k = 0.0862 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2903 -21.2903 -21.2903 -21.2903 -18.9082 -18.9082 -18.9081 -18.9081 -14.3963 -14.3963 -14.3963 -14.3962 -12.1274 -12.1274 -12.1274 -12.1273 -10.2875 -10.2874 -10.2874 -10.2874 -10.2383 -10.2383 -10.2383 -10.2383 -8.8399 -8.8399 -8.8398 -8.8398 -6.7603 -6.7602 -6.7594 -6.7594 -5.2595 -5.2595 -5.2570 -5.2570 -3.3436 -3.3436 -3.3434 -3.3434 -1.9510 -1.9510 -1.9483 -1.9483 -1.8130 -1.8130 -1.8124 -1.8124 2.2726 2.2726 2.2736 2.2737 2.4375 2.4375 2.4379 2.4379 3.8180 3.8190 k = 0.0690 0.3656 0.3206 ( 12440 PWs) bands (ev): -21.2906 -21.2906 -21.2906 -21.2906 -18.9082 -18.9082 -18.9082 -18.9082 -14.3911 -14.3911 -14.3910 -14.3910 -12.1276 -12.1276 -12.1276 -12.1276 -10.2865 -10.2865 -10.2864 -10.2864 -10.2524 -10.2524 -10.2524 -10.2524 -8.8398 -8.8398 -8.8398 -8.8398 -6.7604 -6.7604 -6.7597 -6.7597 -5.2421 -5.2421 -5.2400 -5.2400 -3.3438 -3.3438 -3.3437 -3.3437 -1.9554 -1.9554 -1.9532 -1.9532 -1.8203 -1.8203 -1.8198 -1.8198 2.2746 2.2746 2.2754 2.2755 2.4279 2.4279 2.4283 2.4283 3.8150 3.8156 k = 0.0517 0.3656 0.3206 ( 12444 PWs) bands (ev): -21.2909 -21.2909 -21.2909 -21.2909 -18.9083 -18.9083 -18.9083 -18.9083 -14.3869 -14.3869 -14.3868 -14.3868 -12.1279 -12.1279 -12.1279 -12.1279 -10.2857 -10.2857 -10.2857 -10.2857 -10.2634 -10.2634 -10.2634 -10.2634 -8.8397 -8.8397 -8.8397 -8.8397 -6.7605 -6.7605 -6.7600 -6.7600 -5.2282 -5.2282 -5.2267 -5.2267 -3.3440 -3.3440 -3.3439 -3.3439 -1.9590 -1.9590 -1.9572 -1.9572 -1.8261 -1.8261 -1.8257 -1.8257 2.2763 2.2764 2.2770 2.2770 2.4205 2.4205 2.4209 2.4209 3.8121 3.8127 k = 0.0345 0.3656 0.3206 ( 12456 PWs) bands (ev): -21.2910 -21.2910 -21.2910 -21.2910 -18.9083 -18.9083 -18.9083 -18.9083 -14.3839 -14.3839 -14.3838 -14.3838 -12.1280 -12.1280 -12.1280 -12.1280 -10.2853 -10.2853 -10.2853 -10.2853 -10.2713 -10.2713 -10.2713 -10.2713 -8.8396 -8.8396 -8.8396 -8.8396 -6.7605 -6.7605 -6.7602 -6.7602 -5.2181 -5.2181 -5.2171 -5.2170 -3.3441 -3.3441 -3.3441 -3.3441 -1.9615 -1.9615 -1.9603 -1.9603 -1.8302 -1.8302 -1.8300 -1.8299 2.2777 2.2777 2.2781 2.2782 2.4151 2.4151 2.4155 2.4155 3.8099 3.8100 k = 0.0172 0.3656 0.3206 ( 12448 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2911 -18.9084 -18.9084 -18.9083 -18.9083 -14.3820 -14.3820 -14.3820 -14.3820 -12.1281 -12.1281 -12.1281 -12.1281 -10.2852 -10.2852 -10.2851 -10.2851 -10.2759 -10.2759 -10.2759 -10.2759 -8.8396 -8.8396 -8.8396 -8.8396 -6.7606 -6.7605 -6.7604 -6.7604 -5.2119 -5.2119 -5.2113 -5.2113 -3.3442 -3.3442 -3.3442 -3.3442 -1.9629 -1.9629 -1.9623 -1.9623 -1.8327 -1.8327 -1.8325 -1.8325 2.2786 2.2787 2.2788 2.2789 2.4119 2.4119 2.4123 2.4123 3.8085 3.8086 k = 0.0000 0.3656 0.3206 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9084 -18.9084 -14.3814 -14.3814 -14.3814 -14.3814 -12.1282 -12.1282 -12.1282 -12.1282 -10.2852 -10.2852 -10.2851 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8396 -8.8396 -8.8396 -8.8396 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3442 -3.3442 -3.3442 -3.3442 -1.9631 -1.9631 -1.9631 -1.9631 -1.8335 -1.8335 -1.8334 -1.8334 2.2790 2.2790 2.2790 2.2790 2.4109 2.4109 2.4113 2.4113 3.8081 3.8081 k = 0.0000 0.3656 0.3206 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9084 -18.9084 -14.3814 -14.3814 -14.3814 -14.3814 -12.1282 -12.1282 -12.1282 -12.1282 -10.2852 -10.2852 -10.2851 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8396 -8.8396 -8.8396 -8.8396 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3442 -3.3442 -3.3442 -3.3442 -1.9631 -1.9631 -1.9631 -1.9631 -1.8335 -1.8335 -1.8334 -1.8334 2.2790 2.2790 2.2790 2.2790 2.4109 2.4109 2.4113 2.4113 3.8081 3.8081 k = 0.0000 0.3482 0.3206 ( 12450 PWs) bands (ev): -21.2937 -21.2937 -21.2887 -21.2887 -18.9100 -18.9100 -18.9068 -18.9068 -14.3855 -14.3855 -14.3773 -14.3773 -12.1300 -12.1300 -12.1264 -12.1264 -10.2892 -10.2892 -10.2847 -10.2847 -10.2828 -10.2828 -10.2684 -10.2684 -8.8406 -8.8406 -8.8385 -8.8385 -6.7894 -6.7894 -6.7313 -6.7313 -5.2118 -5.2118 -5.2075 -5.2075 -3.3635 -3.3635 -3.3247 -3.3247 -1.9656 -1.9656 -1.9612 -1.9611 -1.8477 -1.8477 -1.8192 -1.8192 2.2580 2.2580 2.3011 2.3011 2.3594 2.3594 2.4653 2.4653 3.7571 3.7571 k = 0.0000 0.3308 0.3206 ( 12442 PWs) bands (ev): -21.2962 -21.2962 -21.2862 -21.2862 -18.9115 -18.9115 -18.9052 -18.9052 -14.3895 -14.3895 -14.3733 -14.3733 -12.1318 -12.1318 -12.1246 -12.1246 -10.2972 -10.2972 -10.2875 -10.2875 -10.2810 -10.2810 -10.2591 -10.2591 -8.8417 -8.8417 -8.8374 -8.8374 -6.8180 -6.8180 -6.7021 -6.7021 -5.2140 -5.2140 -5.2054 -5.2054 -3.3825 -3.3825 -3.3050 -3.3050 -1.9684 -1.9684 -1.9596 -1.9596 -1.8618 -1.8618 -1.8051 -1.8051 2.2381 2.2381 2.3096 2.3096 2.3248 2.3248 2.5220 2.5220 3.7068 3.7068 k = 0.0000 0.3133 0.3206 ( 12450 PWs) bands (ev): -21.2986 -21.2986 -21.2837 -21.2837 -18.9131 -18.9131 -18.9036 -18.9036 -14.3935 -14.3935 -14.3693 -14.3693 -12.1335 -12.1335 -12.1228 -12.1228 -10.3060 -10.3060 -10.2896 -10.2896 -10.2791 -10.2791 -10.2499 -10.2499 -8.8427 -8.8427 -8.8364 -8.8364 -6.8460 -6.8460 -6.6730 -6.6730 -5.2163 -5.2163 -5.2035 -5.2035 -3.4010 -3.4010 -3.2853 -3.2853 -1.9715 -1.9715 -1.9587 -1.9587 -1.8757 -1.8757 -1.7912 -1.7912 2.2193 2.2193 2.2631 2.2631 2.3486 2.3486 2.5811 2.5811 3.6573 3.6573 k = 0.0000 0.2959 0.3206 ( 12454 PWs) bands (ev): -21.3010 -21.3010 -21.2813 -21.2813 -18.9146 -18.9146 -18.9021 -18.9021 -14.3975 -14.3975 -14.3653 -14.3653 -12.1353 -12.1353 -12.1210 -12.1210 -10.3147 -10.3147 -10.2914 -10.2914 -10.2774 -10.2774 -10.2407 -10.2407 -8.8437 -8.8437 -8.8354 -8.8354 -6.8734 -6.8734 -6.6441 -6.6441 -5.2187 -5.2187 -5.2016 -5.2016 -3.4191 -3.4191 -3.2657 -3.2657 -1.9749 -1.9749 -1.9584 -1.9584 -1.8891 -1.8891 -1.7776 -1.7776 2.2017 2.2017 2.2189 2.2189 2.3736 2.3736 2.6426 2.6426 3.6088 3.6088 k = 0.0000 0.2785 0.3206 ( 12470 PWs) bands (ev): -21.3034 -21.3034 -21.2789 -21.2789 -18.9161 -18.9161 -18.9006 -18.9006 -14.4013 -14.4013 -14.3614 -14.3614 -12.1370 -12.1370 -12.1193 -12.1193 -10.3233 -10.3233 -10.2932 -10.2932 -10.2756 -10.2756 -10.2316 -10.2316 -8.8448 -8.8448 -8.8343 -8.8343 -6.8999 -6.8999 -6.6157 -6.6157 -5.2210 -5.2210 -5.1998 -5.1998 -3.4366 -3.4366 -3.2462 -3.2462 -1.9785 -1.9785 -1.9590 -1.9590 -1.9018 -1.9018 -1.7644 -1.7644 2.1769 2.1769 2.1856 2.1856 2.3994 2.3994 2.7065 2.7065 3.5612 3.5612 k = 0.0000 0.2611 0.3206 ( 12456 PWs) bands (ev): -21.3057 -21.3057 -21.2766 -21.2766 -18.9176 -18.9176 -18.8991 -18.8991 -14.4050 -14.4050 -14.3577 -14.3577 -12.1387 -12.1387 -12.1177 -12.1177 -10.3316 -10.3316 -10.2949 -10.2949 -10.2739 -10.2739 -10.2228 -10.2228 -8.8457 -8.8457 -8.8333 -8.8333 -6.9255 -6.9255 -6.5879 -6.5879 -5.2233 -5.2233 -5.1982 -5.1982 -3.4534 -3.4534 -3.2270 -3.2270 -1.9824 -1.9824 -1.9608 -1.9608 -1.9134 -1.9134 -1.7515 -1.7515 2.1377 2.1377 2.1703 2.1703 2.4259 2.4259 2.7727 2.7727 3.5148 3.5148 k = 0.0000 0.2437 0.3206 ( 12434 PWs) bands (ev): -21.3078 -21.3078 -21.2744 -21.2744 -18.9189 -18.9189 -18.8977 -18.8977 -14.4086 -14.4086 -14.3541 -14.3541 -12.1403 -12.1403 -12.1160 -12.1160 -10.3395 -10.3395 -10.2966 -10.2966 -10.2723 -10.2723 -10.2141 -10.2141 -8.8466 -8.8466 -8.8324 -8.8324 -6.9501 -6.9501 -6.5608 -6.5608 -5.2256 -5.2256 -5.1966 -5.1966 -3.4694 -3.4694 -3.2082 -3.2082 -1.9865 -1.9865 -1.9643 -1.9643 -1.9231 -1.9231 -1.7392 -1.7392 2.1009 2.1009 2.1562 2.1562 2.4531 2.4531 2.8413 2.8413 3.4695 3.4695 k = 0.0000 0.2263 0.3206 ( 12428 PWs) bands (ev): -21.3099 -21.3099 -21.2723 -21.2723 -18.9203 -18.9203 -18.8964 -18.8964 -14.4121 -14.4121 -14.3506 -14.3506 -12.1418 -12.1418 -12.1145 -12.1145 -10.3471 -10.3471 -10.2981 -10.2981 -10.2708 -10.2708 -10.2059 -10.2059 -8.8475 -8.8475 -8.8314 -8.8314 -6.9735 -6.9735 -6.5346 -6.5346 -5.2279 -5.2279 -5.1952 -5.1952 -3.4847 -3.4847 -3.1900 -3.1900 -1.9907 -1.9907 -1.9698 -1.9698 -1.9306 -1.9306 -1.7274 -1.7274 2.0667 2.0667 2.1434 2.1434 2.4807 2.4807 2.9122 2.9122 3.4255 3.4255 k = 0.0000 0.2089 0.3206 ( 12404 PWs) bands (ev): -21.3119 -21.3119 -21.2702 -21.2702 -18.9215 -18.9215 -18.8951 -18.8951 -14.4153 -14.4153 -14.3473 -14.3473 -12.1432 -12.1432 -12.1130 -12.1130 -10.3542 -10.3542 -10.2996 -10.2996 -10.2693 -10.2693 -10.1979 -10.1979 -8.8483 -8.8483 -8.8306 -8.8306 -6.9955 -6.9955 -6.5096 -6.5096 -5.2301 -5.2301 -5.1938 -5.1938 -3.4991 -3.4991 -3.1723 -3.1723 -1.9953 -1.9953 -1.9770 -1.9770 -1.9358 -1.9358 -1.7162 -1.7162 2.0350 2.0350 2.1316 2.1316 2.5086 2.5086 2.9852 2.9852 3.3829 3.3829 k = 0.0000 0.1915 0.3206 ( 12410 PWs) bands (ev): -21.3138 -21.3138 -21.2683 -21.2683 -18.9227 -18.9227 -18.8939 -18.8939 -14.4184 -14.4184 -14.3442 -14.3442 -12.1446 -12.1446 -12.1117 -12.1117 -10.3609 -10.3609 -10.3010 -10.3010 -10.2679 -10.2679 -10.1904 -10.1904 -8.8491 -8.8491 -8.8297 -8.8297 -7.0163 -7.0163 -6.4859 -6.4859 -5.2322 -5.2322 -5.1926 -5.1926 -3.5125 -3.5125 -3.1555 -3.1555 -2.0003 -2.0003 -1.9850 -1.9850 -1.9393 -1.9393 -1.7057 -1.7057 2.0058 2.0058 2.1210 2.1210 2.5368 2.5368 3.0605 3.0605 3.3417 3.3417 k = 0.0000 0.1741 0.3206 ( 12420 PWs) bands (ev): -21.3155 -21.3155 -21.2665 -21.2665 -18.9239 -18.9239 -18.8927 -18.8927 -14.4213 -14.4213 -14.3413 -14.3413 -12.1459 -12.1459 -12.1104 -12.1104 -10.3672 -10.3672 -10.3024 -10.3024 -10.2667 -10.2667 -10.1834 -10.1834 -8.8498 -8.8498 -8.8290 -8.8290 -7.0355 -7.0355 -6.4636 -6.4636 -5.2342 -5.2342 -5.1915 -5.1915 -3.5250 -3.5250 -3.1396 -3.1396 -2.0062 -2.0062 -1.9925 -1.9925 -1.9418 -1.9418 -1.6959 -1.6959 1.9791 1.9791 2.1114 2.1114 2.5649 2.5649 3.1379 3.1379 3.3019 3.3019 k = 0.0000 0.1567 0.3206 ( 12412 PWs) bands (ev): -21.3172 -21.3172 -21.2649 -21.2649 -18.9249 -18.9249 -18.8917 -18.8917 -14.4240 -14.4240 -14.3386 -14.3386 -12.1471 -12.1471 -12.1092 -12.1092 -10.3729 -10.3729 -10.3036 -10.3036 -10.2655 -10.2655 -10.1769 -10.1769 -8.8505 -8.8505 -8.8282 -8.8282 -7.0532 -7.0532 -6.4429 -6.4429 -5.2361 -5.2361 -5.1905 -5.1905 -3.5365 -3.5365 -3.1246 -3.1246 -2.0134 -2.0134 -1.9987 -1.9987 -1.9437 -1.9437 -1.6868 -1.6868 1.9550 1.9550 2.1029 2.1029 2.5930 2.5930 3.2172 3.2172 3.2638 3.2638 k = 0.0000 0.1393 0.3206 ( 12422 PWs) bands (ev): -21.3186 -21.3186 -21.2634 -21.2634 -18.9258 -18.9258 -18.8907 -18.8907 -14.4264 -14.4264 -14.3362 -14.3362 -12.1481 -12.1481 -12.1081 -12.1081 -10.3782 -10.3782 -10.3047 -10.3047 -10.2644 -10.2644 -10.1709 -10.1709 -8.8511 -8.8511 -8.8276 -8.8276 -7.0692 -7.0692 -6.4239 -6.4239 -5.2378 -5.2378 -5.1897 -5.1897 -3.5468 -3.5468 -3.1109 -3.1109 -2.0212 -2.0212 -2.0034 -2.0034 -1.9453 -1.9453 -1.6786 -1.6786 1.9334 1.9334 2.0954 2.0954 2.6207 2.6207 3.2273 3.2273 3.2984 3.2984 k = 0.0000 0.1219 0.3206 ( 12414 PWs) bands (ev): -21.3199 -21.3199 -21.2620 -21.2620 -18.9267 -18.9267 -18.8899 -18.8899 -14.4285 -14.4285 -14.3340 -14.3340 -12.1491 -12.1491 -12.1072 -12.1072 -10.3828 -10.3828 -10.3056 -10.3056 -10.2634 -10.2634 -10.1656 -10.1656 -8.8517 -8.8517 -8.8270 -8.8270 -7.0835 -7.0835 -6.4068 -6.4068 -5.2394 -5.2394 -5.1889 -5.1889 -3.5561 -3.5561 -3.0984 -3.0984 -2.0291 -2.0291 -2.0073 -2.0073 -1.9467 -1.9467 -1.6713 -1.6713 1.9144 1.9144 2.0889 2.0889 2.6478 2.6478 3.1926 3.1926 3.3813 3.3813 k = 0.0000 0.1044 0.3206 ( 12426 PWs) bands (ev): -21.3211 -21.3211 -21.2609 -21.2609 -18.9274 -18.9274 -18.8891 -18.8891 -14.4304 -14.4304 -14.3321 -14.3321 -12.1500 -12.1500 -12.1063 -12.1063 -10.3869 -10.3869 -10.3065 -10.3065 -10.2626 -10.2626 -10.1608 -10.1608 -8.8522 -8.8522 -8.8265 -8.8265 -7.0961 -7.0961 -6.3917 -6.3917 -5.2408 -5.2408 -5.1883 -5.1883 -3.5642 -3.5642 -3.0872 -3.0872 -2.0365 -2.0365 -2.0104 -2.0104 -1.9478 -1.9478 -1.6648 -1.6648 1.8979 1.8979 2.0833 2.0833 2.6740 2.6740 3.1601 3.1601 3.4655 3.4655 k = 0.0000 0.0870 0.3206 ( 12424 PWs) bands (ev): -21.3221 -21.3221 -21.2598 -21.2598 -18.9280 -18.9280 -18.8885 -18.8885 -14.4320 -14.4320 -14.3305 -14.3305 -12.1507 -12.1507 -12.1056 -12.1056 -10.3904 -10.3904 -10.3073 -10.3073 -10.2619 -10.2619 -10.1568 -10.1568 -8.8526 -8.8526 -8.8260 -8.8260 -7.1068 -7.1068 -6.3787 -6.3787 -5.2421 -5.2421 -5.1877 -5.1877 -3.5711 -3.5711 -3.0776 -3.0776 -2.0430 -2.0430 -2.0131 -2.0131 -1.9488 -1.9488 -1.6593 -1.6593 1.8839 1.8839 2.0786 2.0786 2.6989 2.6989 3.1300 3.1300 3.5506 3.5506 k = 0.0000 0.0696 0.3206 ( 12418 PWs) bands (ev): -21.3229 -21.3229 -21.2590 -21.2590 -18.9285 -18.9285 -18.8880 -18.8880 -14.4334 -14.4334 -14.3291 -14.3291 -12.1513 -12.1513 -12.1050 -12.1050 -10.3933 -10.3933 -10.3079 -10.3079 -10.2613 -10.2613 -10.1534 -10.1534 -8.8529 -8.8529 -8.8257 -8.8257 -7.1156 -7.1156 -6.3680 -6.3680 -5.2431 -5.2431 -5.1873 -5.1873 -3.5768 -3.5768 -3.0696 -3.0696 -2.0486 -2.0486 -2.0153 -2.0153 -1.9497 -1.9497 -1.6547 -1.6547 1.8724 1.8724 2.0749 2.0749 2.7219 2.7219 3.1029 3.1029 3.6358 3.6358 k = 0.0000 0.0522 0.3206 ( 12430 PWs) bands (ev): -21.3235 -21.3235 -21.2583 -21.2583 -18.9290 -18.9290 -18.8876 -18.8876 -14.4344 -14.4344 -14.3280 -14.3280 -12.1518 -12.1518 -12.1045 -12.1045 -10.3955 -10.3955 -10.3084 -10.3084 -10.2608 -10.2608 -10.1508 -10.1508 -8.8532 -8.8532 -8.8254 -8.8254 -7.1225 -7.1225 -6.3595 -6.3595 -5.2439 -5.2439 -5.1869 -5.1869 -3.5812 -3.5812 -3.0633 -3.0633 -2.0531 -2.0531 -2.0170 -2.0170 -1.9503 -1.9503 -1.6511 -1.6511 1.8635 1.8635 2.0719 2.0719 2.7421 2.7421 3.0796 3.0796 3.7195 3.7195 k = 0.0000 0.0348 0.3206 ( 12434 PWs) bands (ev): -21.3240 -21.3240 -21.2579 -21.2579 -18.9292 -18.9292 -18.8873 -18.8873 -14.4352 -14.4352 -14.3273 -14.3273 -12.1521 -12.1521 -12.1042 -12.1042 -10.3971 -10.3971 -10.3087 -10.3087 -10.2605 -10.2605 -10.1489 -10.1489 -8.8534 -8.8534 -8.8252 -8.8252 -7.1274 -7.1274 -6.3535 -6.3535 -5.2445 -5.2445 -5.1867 -5.1867 -3.5844 -3.5844 -3.0587 -3.0587 -2.0563 -2.0563 -2.0182 -2.0182 -1.9508 -1.9508 -1.6486 -1.6486 1.8572 1.8572 2.0699 2.0699 2.7582 2.7582 3.0613 3.0613 3.7978 3.7978 k = 0.0000 0.0174 0.3206 ( 12434 PWs) bands (ev): -21.3243 -21.3243 -21.2576 -21.2576 -18.9294 -18.9294 -18.8871 -18.8871 -14.4356 -14.4356 -14.3268 -14.3268 -12.1523 -12.1523 -12.1040 -12.1040 -10.3981 -10.3981 -10.3089 -10.3089 -10.2603 -10.2603 -10.1477 -10.1477 -8.8535 -8.8535 -8.8251 -8.8251 -7.1304 -7.1304 -6.3498 -6.3498 -5.2448 -5.2448 -5.1865 -5.1865 -3.5863 -3.5863 -3.0559 -3.0559 -2.0583 -2.0583 -2.0189 -2.0189 -1.9511 -1.9511 -1.6470 -1.6470 1.8534 1.8534 2.0686 2.0686 2.7688 2.7688 3.0493 3.0493 3.8614 3.8614 k = 0.0000 0.0000 0.3206 ( 12458 PWs) bands (ev): -21.3244 -21.3244 -21.2575 -21.2575 -18.9295 -18.9295 -18.8870 -18.8870 -14.4358 -14.4358 -14.3267 -14.3267 -12.1524 -12.1524 -12.1039 -12.1039 -10.3984 -10.3984 -10.3090 -10.3090 -10.2602 -10.2602 -10.1474 -10.1474 -8.8535 -8.8535 -8.8250 -8.8250 -7.1314 -7.1314 -6.3486 -6.3486 -5.2450 -5.2450 -5.1865 -5.1865 -3.5870 -3.5870 -3.0550 -3.0550 -2.0589 -2.0589 -2.0192 -2.0192 -1.9512 -1.9512 -1.6465 -1.6465 1.8521 1.8521 2.0682 2.0682 2.7725 2.7725 3.0452 3.0452 3.8885 3.8885 k = 0.0000 0.3656-0.0000 ( 12478 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3816 -14.3816 -14.3815 -14.3815 -12.1300 -12.1300 -12.1300 -12.1300 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2779 -10.2779 -8.8341 -8.8341 -8.8341 -8.8341 -6.7608 -6.7608 -6.7608 -6.7608 -5.2102 -5.2102 -5.2102 -5.2102 -3.3414 -3.3414 -3.3414 -3.3414 -1.9633 -1.9633 -1.9633 -1.9633 -1.8248 -1.8248 -1.8248 -1.8248 1.8005 1.8005 1.8007 1.8007 2.6922 2.6922 2.6924 2.6924 4.3231 4.3231 k = 0.0000 0.3656 0.0169 ( 12472 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3816 -14.3816 -14.3815 -14.3815 -12.1300 -12.1300 -12.1300 -12.1300 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2779 -10.2779 -8.8341 -8.8341 -8.8341 -8.8341 -6.7608 -6.7608 -6.7608 -6.7608 -5.2102 -5.2102 -5.2102 -5.2102 -3.3414 -3.3414 -3.3414 -3.3414 -1.9634 -1.9634 -1.9633 -1.9633 -1.8249 -1.8249 -1.8248 -1.8248 1.8023 1.8024 1.8026 1.8026 2.6915 2.6916 2.6918 2.6919 4.3198 4.3198 k = 0.0000 0.3656 0.0338 ( 12458 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1299 -12.1299 -12.1299 -12.1299 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2779 -10.2779 -8.8343 -8.8343 -8.8342 -8.8342 -6.7608 -6.7608 -6.7607 -6.7607 -5.2101 -5.2101 -5.2101 -5.2101 -3.3415 -3.3415 -3.3415 -3.3415 -1.9634 -1.9634 -1.9633 -1.9633 -1.8251 -1.8251 -1.8250 -1.8250 1.8080 1.8080 1.8084 1.8084 2.6895 2.6896 2.6900 2.6902 4.3115 4.3115 k = 0.0000 0.3656 0.0506 ( 12470 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1299 -12.1299 -12.1299 -12.1299 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2778 -10.2778 -8.8344 -8.8344 -8.8344 -8.8344 -6.7608 -6.7608 -6.7607 -6.7607 -5.2101 -5.2101 -5.2101 -5.2101 -3.3416 -3.3416 -3.3416 -3.3416 -1.9634 -1.9634 -1.9632 -1.9632 -1.8254 -1.8254 -1.8252 -1.8252 1.8175 1.8175 1.8180 1.8180 2.6862 2.6863 2.6870 2.6871 4.2941 4.2941 k = 0.0000 0.3656 0.0675 ( 12478 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1298 -12.1298 -12.1298 -12.1298 -10.2850 -10.2850 -10.2849 -10.2849 -10.2779 -10.2779 -10.2778 -10.2778 -8.8347 -8.8347 -8.8347 -8.8347 -6.7607 -6.7607 -6.7607 -6.7607 -5.2101 -5.2101 -5.2101 -5.2101 -3.3417 -3.3417 -3.3417 -3.3417 -1.9634 -1.9634 -1.9632 -1.9632 -1.8258 -1.8258 -1.8256 -1.8256 1.8306 1.8306 1.8312 1.8313 2.6816 2.6817 2.6825 2.6827 4.2678 4.2687 k = 0.0000 0.3656 0.0844 ( 12474 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1297 -12.1297 -12.1297 -12.1297 -10.2851 -10.2850 -10.2850 -10.2849 -10.2779 -10.2779 -10.2778 -10.2778 -8.8350 -8.8350 -8.8350 -8.8350 -6.7607 -6.7607 -6.7607 -6.7607 -5.2101 -5.2101 -5.2101 -5.2101 -3.3419 -3.3419 -3.3419 -3.3419 -1.9634 -1.9634 -1.9632 -1.9632 -1.8263 -1.8263 -1.8261 -1.8261 1.8473 1.8473 1.8481 1.8481 2.6754 2.6755 2.6766 2.6768 4.2349 4.2355 k = 0.0000 0.3656 0.1013 ( 12472 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1296 -12.1296 -12.1296 -12.1296 -10.2851 -10.2851 -10.2850 -10.2849 -10.2779 -10.2779 -10.2777 -10.2777 -8.8354 -8.8354 -8.8353 -8.8353 -6.7607 -6.7607 -6.7607 -6.7607 -5.2100 -5.2100 -5.2100 -5.2100 -3.3420 -3.3420 -3.3420 -3.3420 -1.9634 -1.9634 -1.9632 -1.9631 -1.8269 -1.8269 -1.8266 -1.8266 1.8675 1.8675 1.8684 1.8685 2.6676 2.6678 2.6691 2.6692 4.1970 4.1975 k = 0.0000 0.3656 0.1181 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9082 -18.9082 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1294 -12.1294 -12.1294 -12.1294 -10.2851 -10.2851 -10.2850 -10.2849 -10.2778 -10.2778 -10.2777 -10.2777 -8.8357 -8.8357 -8.8357 -8.8357 -6.7607 -6.7607 -6.7607 -6.7607 -5.2100 -5.2100 -5.2100 -5.2100 -3.3423 -3.3423 -3.3422 -3.3422 -1.9634 -1.9634 -1.9631 -1.9631 -1.8276 -1.8276 -1.8272 -1.8272 1.8910 1.8910 1.8921 1.8921 2.6581 2.6583 2.6598 2.6599 4.1559 4.1565 k = 0.0000 0.3656 0.1350 ( 12456 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9082 -18.9082 -14.3815 -14.3815 -14.3815 -14.3815 -12.1293 -12.1293 -12.1293 -12.1293 -10.2851 -10.2851 -10.2850 -10.2849 -10.2778 -10.2778 -10.2776 -10.2776 -8.8362 -8.8362 -8.8361 -8.8361 -6.7607 -6.7607 -6.7607 -6.7607 -5.2099 -5.2099 -5.2099 -5.2099 -3.3425 -3.3425 -3.3425 -3.3425 -1.9634 -1.9634 -1.9631 -1.9631 -1.8283 -1.8283 -1.8279 -1.8279 1.9176 1.9176 1.9188 1.9188 2.6467 2.6468 2.6485 2.6487 4.1131 4.1141 k = 0.0000 0.3656 0.1519 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3815 -14.3815 -14.3815 -14.3815 -12.1292 -12.1292 -12.1291 -12.1291 -10.2851 -10.2851 -10.2850 -10.2850 -10.2777 -10.2777 -10.2776 -10.2776 -8.8366 -8.8366 -8.8366 -8.8366 -6.7607 -6.7607 -6.7606 -6.7606 -5.2099 -5.2099 -5.2099 -5.2099 -3.3427 -3.3427 -3.3427 -3.3427 -1.9634 -1.9634 -1.9631 -1.9631 -1.8290 -1.8290 -1.8286 -1.8286 1.9471 1.9471 1.9484 1.9484 2.6331 2.6332 2.6351 2.6353 4.0696 4.0696 k = 0.0000 0.3656 0.1688 ( 12444 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3815 -14.3815 -14.3815 -14.3815 -12.1290 -12.1290 -12.1290 -12.1290 -10.2852 -10.2851 -10.2850 -10.2850 -10.2777 -10.2777 -10.2775 -10.2775 -8.8371 -8.8371 -8.8370 -8.8370 -6.7606 -6.7606 -6.7606 -6.7606 -5.2099 -5.2099 -5.2099 -5.2098 -3.3429 -3.3429 -3.3429 -3.3429 -1.9634 -1.9634 -1.9631 -1.9631 -1.8297 -1.8297 -1.8293 -1.8293 1.9792 1.9792 1.9806 1.9806 2.6173 2.6174 2.6195 2.6196 4.0268 4.0268 k = 0.0000 0.3656 0.1856 ( 12436 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3815 -14.3815 -14.3814 -14.3814 -12.1288 -12.1288 -12.1288 -12.1288 -10.2852 -10.2851 -10.2850 -10.2850 -10.2776 -10.2776 -10.2775 -10.2775 -8.8375 -8.8375 -8.8375 -8.8375 -6.7606 -6.7606 -6.7606 -6.7606 -5.2098 -5.2098 -5.2098 -5.2098 -3.3432 -3.3432 -3.3431 -3.3431 -1.9634 -1.9634 -1.9631 -1.9630 -1.8304 -1.8304 -1.8300 -1.8300 2.0135 2.0136 2.0150 2.0151 2.5990 2.5992 2.6013 2.6015 3.9857 3.9858 k = 0.0000 0.3656 0.2025 ( 12440 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3814 -14.3814 -14.3814 -14.3814 -12.1287 -12.1287 -12.1287 -12.1287 -10.2852 -10.2851 -10.2850 -10.2850 -10.2776 -10.2776 -10.2774 -10.2774 -8.8379 -8.8379 -8.8379 -8.8379 -6.7606 -6.7606 -6.7606 -6.7606 -5.2098 -5.2098 -5.2098 -5.2098 -3.3434 -3.3434 -3.3434 -3.3434 -1.9634 -1.9634 -1.9631 -1.9630 -1.8311 -1.8311 -1.8307 -1.8307 2.0498 2.0498 2.0514 2.0515 2.5783 2.5784 2.5807 2.5808 3.9472 3.9473 k = 0.0000 0.3656 0.2194 ( 12450 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3814 -14.3814 -14.3814 -14.3814 -12.1286 -12.1286 -12.1286 -12.1286 -10.2852 -10.2852 -10.2851 -10.2850 -10.2776 -10.2776 -10.2774 -10.2774 -8.8383 -8.8383 -8.8383 -8.8383 -6.7606 -6.7606 -6.7606 -6.7606 -5.2097 -5.2097 -5.2097 -5.2097 -3.3436 -3.3436 -3.3436 -3.3436 -1.9633 -1.9633 -1.9631 -1.9630 -1.8317 -1.8317 -1.8314 -1.8313 2.0875 2.0876 2.0893 2.0893 2.5550 2.5552 2.5575 2.5576 3.9122 3.9123 k = 0.0000 0.3656 0.2363 ( 12444 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9083 -18.9083 -18.9083 -18.9083 -14.3814 -14.3814 -14.3814 -14.3814 -12.1285 -12.1285 -12.1285 -12.1285 -10.2852 -10.2852 -10.2851 -10.2850 -10.2775 -10.2775 -10.2774 -10.2774 -8.8387 -8.8387 -8.8387 -8.8387 -6.7606 -6.7606 -6.7605 -6.7605 -5.2097 -5.2097 -5.2097 -5.2097 -3.3438 -3.3438 -3.3438 -3.3438 -1.9633 -1.9633 -1.9631 -1.9630 -1.8322 -1.8322 -1.8319 -1.8319 2.1262 2.1262 2.1280 2.1280 2.5294 2.5295 2.5319 2.5320 3.8814 3.8815 k = 0.0000 0.3656 0.2531 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9083 -18.9083 -14.3814 -14.3814 -14.3814 -14.3814 -12.1284 -12.1284 -12.1284 -12.1284 -10.2852 -10.2852 -10.2851 -10.2851 -10.2775 -10.2775 -10.2774 -10.2774 -8.8390 -8.8390 -8.8390 -8.8390 -6.7605 -6.7605 -6.7605 -6.7605 -5.2097 -5.2097 -5.2097 -5.2097 -3.3439 -3.3439 -3.3439 -3.3439 -1.9633 -1.9633 -1.9631 -1.9631 -1.8327 -1.8327 -1.8324 -1.8324 2.1650 2.1651 2.1669 2.1670 2.5017 2.5019 2.5042 2.5043 3.8555 3.8555 k = 0.0000 0.3656 0.2700 ( 12442 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9083 -18.9083 -14.3814 -14.3814 -14.3814 -14.3814 -12.1283 -12.1283 -12.1283 -12.1283 -10.2852 -10.2852 -10.2851 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8392 -8.8392 -8.8392 -8.8392 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3441 -3.3441 -3.3441 -3.3441 -1.9632 -1.9632 -1.9631 -1.9631 -1.8330 -1.8330 -1.8329 -1.8328 2.2031 2.2031 2.2049 2.2050 2.4728 2.4730 2.4751 2.4753 3.8349 3.8349 k = 0.0000 0.3656 0.2869 ( 12454 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9084 -18.9084 -14.3814 -14.3814 -14.3814 -14.3814 -12.1282 -12.1282 -12.1282 -12.1282 -10.2852 -10.2852 -10.2852 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8394 -8.8394 -8.8394 -8.8394 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3441 -3.3441 -3.3441 -3.3441 -1.9632 -1.9632 -1.9631 -1.9631 -1.8333 -1.8333 -1.8332 -1.8332 2.2383 2.2384 2.2400 2.2401 2.4444 2.4446 2.4464 2.4466 3.8199 3.8200 k = 0.0000 0.3656 0.3038 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9084 -18.9084 -14.3814 -14.3814 -14.3814 -14.3814 -12.1282 -12.1282 -12.1282 -12.1282 -10.2852 -10.2852 -10.2852 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8395 -8.8395 -8.8395 -8.8395 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3442 -3.3442 -3.3442 -3.3442 -1.9632 -1.9632 -1.9631 -1.9631 -1.8334 -1.8334 -1.8334 -1.8334 2.2666 2.2667 2.2678 2.2679 2.4207 2.4209 2.4221 2.4223 3.8110 3.8111 k = 0.0000 0.3656 0.3206 ( 12452 PWs) bands (ev): -21.2912 -21.2912 -21.2912 -21.2912 -18.9084 -18.9084 -18.9084 -18.9084 -14.3814 -14.3814 -14.3814 -14.3814 -12.1282 -12.1282 -12.1282 -12.1282 -10.2852 -10.2852 -10.2851 -10.2851 -10.2774 -10.2774 -10.2774 -10.2774 -8.8396 -8.8396 -8.8396 -8.8396 -6.7605 -6.7605 -6.7605 -6.7605 -5.2096 -5.2096 -5.2096 -5.2096 -3.3442 -3.3442 -3.3442 -3.3442 -1.9631 -1.9631 -1.9631 -1.9631 -1.8335 -1.8335 -1.8334 -1.8334 2.2790 2.2790 2.2790 2.2790 2.4109 2.4109 2.4113 2.4113 3.8081 3.8081 k = 0.5000-0.0000 0.3206 ( 12456 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1245 -12.1245 -12.1103 -12.1103 -10.3557 -10.3557 -10.2944 -10.2944 -9.7987 -9.7987 -9.5641 -9.5641 -8.8562 -8.8562 -8.8301 -8.8301 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5584 -3.5584 -3.0902 -3.0902 -2.4344 -2.4344 -1.5776 -1.5776 -1.4922 -1.4922 -1.2640 -1.2640 2.2810 2.2810 2.4128 2.4128 2.5566 2.5566 3.1372 3.1372 3.1717 3.1717 k = 0.5000-0.0000 0.3038 ( 12448 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1245 -12.1245 -12.1103 -12.1103 -10.3557 -10.3557 -10.2943 -10.2943 -9.7987 -9.7987 -9.5641 -9.5641 -8.8562 -8.8562 -8.8301 -8.8301 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5584 -3.5584 -3.0902 -3.0902 -2.4344 -2.4344 -1.5775 -1.5775 -1.4922 -1.4922 -1.2640 -1.2640 2.2807 2.2807 2.4124 2.4127 2.5503 2.5508 3.1338 3.1341 3.1796 3.1798 k = 0.5000-0.0000 0.2869 ( 12454 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1246 -12.1246 -12.1104 -12.1104 -10.3557 -10.3557 -10.2943 -10.2943 -9.7987 -9.7987 -9.5642 -9.5641 -8.8561 -8.8561 -8.8300 -8.8300 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5583 -3.5583 -3.0902 -3.0902 -2.4344 -2.4344 -1.5774 -1.5774 -1.4921 -1.4921 -1.2641 -1.2640 2.2798 2.2798 2.4117 2.4123 2.5329 2.5338 3.1241 3.1247 3.2028 3.2030 k = 0.5000-0.0000 0.2700 ( 12446 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1246 -12.1246 -12.1104 -12.1104 -10.3557 -10.3557 -10.2943 -10.2943 -9.7987 -9.7987 -9.5642 -9.5642 -8.8558 -8.8558 -8.8299 -8.8299 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5582 -3.5582 -3.0901 -3.0901 -2.4344 -2.4344 -1.5772 -1.5772 -1.4920 -1.4920 -1.2641 -1.2641 2.2783 2.2783 2.4102 2.4113 2.5070 2.5085 3.1089 3.1098 3.2385 3.2389 k = 0.5000-0.0000 0.2531 ( 12454 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1247 -12.1247 -12.1105 -12.1105 -10.3557 -10.3557 -10.2943 -10.2943 -9.7987 -9.7987 -9.5642 -9.5642 -8.8556 -8.8556 -8.8297 -8.8297 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5581 -3.5581 -3.0901 -3.0901 -2.4345 -2.4344 -1.5769 -1.5768 -1.4918 -1.4918 -1.2641 -1.2641 2.2762 2.2763 2.4072 2.4090 2.4763 2.4786 3.0892 3.0902 3.2841 3.2844 k = 0.5000-0.0000 0.2363 ( 12460 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1248 -12.1248 -12.1106 -12.1106 -10.3556 -10.3556 -10.2943 -10.2943 -9.7988 -9.7988 -9.5642 -9.5642 -8.8552 -8.8552 -8.8294 -8.8294 -7.1395 -7.1395 -6.4155 -6.4155 -5.9908 -5.9908 -5.6796 -5.6796 -3.5579 -3.5579 -3.0900 -3.0900 -2.4345 -2.4345 -1.5765 -1.5765 -1.4916 -1.4915 -1.2642 -1.2641 2.2737 2.2738 2.3995 2.4025 2.4460 2.4496 3.0661 3.0673 3.3368 3.3371 k = 0.5000-0.0000 0.2194 ( 12452 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9262 -18.9262 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1250 -12.1250 -12.1107 -12.1107 -10.3556 -10.3556 -10.2943 -10.2943 -9.7988 -9.7988 -9.5643 -9.5643 -8.8548 -8.8548 -8.8291 -8.8291 -7.1396 -7.1396 -6.4155 -6.4155 -5.9909 -5.9909 -5.6796 -5.6796 -3.5577 -3.5577 -3.0900 -3.0900 -2.4346 -2.4345 -1.5760 -1.5760 -1.4913 -1.4913 -1.2642 -1.2642 2.2708 2.2709 2.3800 2.3830 2.4272 2.4308 3.0408 3.0421 3.3947 3.3949 k = 0.5000-0.0000 0.2025 ( 12460 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1251 -12.1251 -12.1108 -12.1108 -10.3556 -10.3556 -10.2943 -10.2943 -9.7989 -9.7989 -9.5643 -9.5643 -8.8544 -8.8544 -8.8288 -8.8288 -7.1396 -7.1396 -6.4155 -6.4155 -5.9909 -5.9909 -5.6796 -5.6796 -3.5575 -3.5575 -3.0899 -3.0899 -2.4346 -2.4346 -1.5755 -1.5755 -1.4910 -1.4910 -1.2643 -1.2642 2.2676 2.2676 2.3489 2.3507 2.4208 2.4232 3.0144 3.0157 3.4561 3.4563 k = 0.5000-0.0000 0.1856 ( 12470 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1253 -12.1253 -12.1110 -12.1110 -10.3556 -10.3556 -10.2942 -10.2942 -9.7989 -9.7989 -9.5644 -9.5643 -8.8539 -8.8539 -8.8284 -8.8284 -7.1396 -7.1396 -6.4155 -6.4155 -5.9909 -5.9909 -5.6796 -5.6796 -3.5572 -3.5572 -3.0899 -3.0899 -2.4347 -2.4346 -1.5749 -1.5749 -1.4907 -1.4906 -1.2643 -1.2643 2.2641 2.2642 2.3143 2.3154 2.4183 2.4200 2.9877 2.9889 3.5199 3.5201 k = 0.5000-0.0000 0.1688 ( 12478 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8844 -18.8844 -14.6577 -14.6577 -14.4903 -14.4903 -12.1255 -12.1255 -12.1111 -12.1111 -10.3555 -10.3555 -10.2942 -10.2942 -9.7990 -9.7990 -9.5644 -9.5644 -8.8534 -8.8534 -8.8281 -8.8281 -7.1396 -7.1396 -6.4155 -6.4155 -5.9910 -5.9910 -5.6797 -5.6797 -3.5570 -3.5570 -3.0898 -3.0898 -2.4347 -2.4347 -1.5744 -1.5744 -1.4904 -1.4903 -1.2644 -1.2643 2.2605 2.2606 2.2799 2.2807 2.4170 2.4182 2.9614 2.9626 3.5854 3.5855 k = 0.5000-0.0000 0.1519 ( 12460 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8843 -18.8843 -14.6577 -14.6577 -14.4903 -14.4903 -12.1256 -12.1256 -12.1112 -12.1112 -10.3555 -10.3555 -10.2942 -10.2942 -9.7990 -9.7990 -9.5644 -9.5644 -8.8529 -8.8528 -8.8277 -8.8277 -7.1397 -7.1397 -6.4155 -6.4155 -5.9910 -5.9910 -5.6797 -5.6797 -3.5568 -3.5568 -3.0897 -3.0897 -2.4348 -2.4348 -1.5738 -1.5738 -1.4900 -1.4899 -1.2644 -1.2644 2.2471 2.2475 2.2570 2.2570 2.4160 2.4170 2.9361 2.9373 3.6517 3.6517 k = 0.5000-0.0000 0.1350 ( 12448 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8843 -18.8843 -14.6578 -14.6578 -14.4903 -14.4903 -12.1258 -12.1258 -12.1114 -12.1114 -10.3555 -10.3555 -10.2941 -10.2941 -9.7991 -9.7991 -9.5645 -9.5645 -8.8523 -8.8523 -8.8273 -8.8273 -7.1397 -7.1397 -6.4156 -6.4156 -5.9910 -5.9910 -5.6797 -5.6797 -3.5565 -3.5565 -3.0897 -3.0897 -2.4349 -2.4348 -1.5732 -1.5732 -1.4897 -1.4896 -1.2645 -1.2644 2.2167 2.2170 2.2533 2.2534 2.4153 2.4161 2.9124 2.9135 3.7182 3.7183 k = 0.5000-0.0000 0.1181 ( 12436 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9261 -18.9261 -18.8843 -18.8843 -14.6578 -14.6578 -14.4903 -14.4903 -12.1259 -12.1259 -12.1115 -12.1115 -10.3554 -10.3554 -10.2941 -10.2941 -9.7991 -9.7991 -9.5645 -9.5645 -8.8518 -8.8518 -8.8269 -8.8269 -7.1397 -7.1397 -6.4156 -6.4156 -5.9911 -5.9911 -5.6797 -5.6797 -3.5563 -3.5563 -3.0896 -3.0896 -2.4349 -2.4349 -1.5727 -1.5726 -1.4894 -1.4893 -1.2646 -1.2645 2.1891 2.1893 2.2499 2.2500 2.4148 2.4154 2.8908 2.8917 3.7845 3.7847 k = 0.5000-0.0000 0.1013 ( 12422 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1261 -12.1261 -12.1116 -12.1116 -10.3554 -10.3554 -10.2941 -10.2941 -9.7992 -9.7992 -9.5646 -9.5646 -8.8514 -8.8514 -8.8266 -8.8266 -7.1397 -7.1397 -6.4156 -6.4156 -5.9911 -5.9911 -5.6797 -5.6797 -3.5560 -3.5560 -3.0895 -3.0895 -2.4350 -2.4350 -1.5721 -1.5721 -1.4890 -1.4890 -1.2646 -1.2646 2.1646 2.1648 2.2468 2.2468 2.4143 2.4148 2.8714 2.8722 3.8502 3.8505 k = 0.5000-0.0000 0.0844 ( 12434 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1262 -12.1262 -12.1117 -12.1117 -10.3554 -10.3554 -10.2941 -10.2941 -9.7993 -9.7992 -9.5646 -9.5646 -8.8510 -8.8510 -8.8263 -8.8263 -7.1398 -7.1398 -6.4156 -6.4156 -5.9911 -5.9911 -5.6797 -5.6797 -3.5558 -3.5558 -3.0895 -3.0895 -2.4350 -2.4350 -1.5717 -1.5717 -1.4888 -1.4887 -1.2646 -1.2646 2.1436 2.1437 2.2439 2.2440 2.4139 2.4142 2.8546 2.8553 3.9071 3.9084 k = 0.5000-0.0000 0.0675 ( 12426 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1264 -12.1264 -12.1118 -12.1118 -10.3554 -10.3554 -10.2940 -10.2940 -9.7993 -9.7993 -9.5646 -9.5646 -8.8506 -8.8506 -8.8260 -8.8260 -7.1398 -7.1398 -6.4156 -6.4156 -5.9911 -5.9911 -5.6797 -5.6797 -3.5557 -3.5557 -3.0894 -3.0894 -2.4351 -2.4351 -1.5713 -1.5713 -1.4885 -1.4885 -1.2647 -1.2646 2.1261 2.1262 2.2415 2.2416 2.4135 2.4138 2.8406 2.8412 3.9049 3.9057 k = 0.5000-0.0000 0.0506 ( 12432 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1264 -12.1264 -12.1119 -12.1119 -10.3553 -10.3553 -10.2940 -10.2940 -9.7993 -9.7993 -9.5647 -9.5647 -8.8503 -8.8503 -8.8258 -8.8258 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6797 -5.6797 -3.5555 -3.5555 -3.0894 -3.0894 -2.4351 -2.4351 -1.5709 -1.5709 -1.4883 -1.4883 -1.2647 -1.2647 2.1124 2.1125 2.2396 2.2396 2.4133 2.4135 2.8296 2.8300 3.9026 3.9033 k = 0.5000-0.0000 0.0338 ( 12444 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1265 -12.1265 -12.1119 -12.1119 -10.3553 -10.3553 -10.2940 -10.2940 -9.7993 -9.7993 -9.5647 -9.5647 -8.8501 -8.8501 -8.8257 -8.8257 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6798 -5.6798 -3.5554 -3.5554 -3.0894 -3.0894 -2.4351 -2.4351 -1.5707 -1.5707 -1.4882 -1.4882 -1.2647 -1.2647 2.1026 2.1026 2.2381 2.2382 2.4131 2.4133 2.8216 2.8219 3.9008 3.9013 k = 0.5000-0.0000 0.0169 ( 12442 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1266 -12.1266 -12.1120 -12.1120 -10.3553 -10.3553 -10.2940 -10.2940 -9.7994 -9.7994 -9.5647 -9.5647 -8.8500 -8.8500 -8.8256 -8.8256 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6798 -5.6798 -3.5554 -3.5554 -3.0894 -3.0894 -2.4352 -2.4351 -1.5706 -1.5706 -1.4881 -1.4881 -1.2647 -1.2647 2.0966 2.0967 2.2373 2.2373 2.4130 2.4131 2.8169 2.8170 3.8997 3.8999 k = 0.5000-0.0000-0.0000 ( 12414 PWs) bands (ev): -21.3113 -21.3113 -21.2462 -21.2462 -18.9260 -18.9260 -18.8843 -18.8843 -14.6578 -14.6578 -14.4904 -14.4904 -12.1266 -12.1266 -12.1120 -12.1120 -10.3553 -10.3553 -10.2940 -10.2940 -9.7994 -9.7994 -9.5647 -9.5647 -8.8499 -8.8499 -8.8256 -8.8256 -7.1398 -7.1398 -6.4156 -6.4156 -5.9912 -5.9912 -5.6798 -5.6798 -3.5554 -3.5554 -3.0893 -3.0893 -2.4352 -2.4352 -1.5705 -1.5705 -1.4881 -1.4881 -1.2647 -1.2647 2.0947 2.0947 2.2370 2.2370 2.4130 2.4130 2.8153 2.8153 3.8994 3.8994 k = 0.5000 0.3656-0.0000 ( 12476 PWs) bands (ev): -21.2791 -21.2791 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1209 -12.1209 -12.1208 -12.1208 -10.3246 -10.3246 -10.3245 -10.3245 -9.6790 -9.6790 -9.6790 -9.6790 -8.8382 -8.8382 -8.8382 -8.8382 -6.8005 -6.8005 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3314 -3.3314 -3.3314 -3.3314 -1.8588 -1.8588 -1.8588 -1.8588 -1.5228 -1.5228 -1.5228 -1.5228 2.1895 2.1895 2.1896 2.1896 2.8637 2.8637 2.8639 2.8639 3.5072 3.5073 k = 0.5000 0.3656 0.0169 ( 12476 PWs) bands (ev): -21.2791 -21.2791 -21.2790 -21.2790 -18.9052 -18.9052 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1208 -12.1208 -12.1208 -12.1208 -10.3246 -10.3246 -10.3245 -10.3245 -9.6790 -9.6790 -9.6790 -9.6790 -8.8382 -8.8382 -8.8382 -8.8382 -6.8005 -6.8005 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3314 -3.3314 -3.3314 -3.3314 -1.8589 -1.8588 -1.8588 -1.8588 -1.5228 -1.5228 -1.5228 -1.5228 2.1904 2.1905 2.1906 2.1906 2.8647 2.8648 2.8650 2.8651 3.5067 3.5069 k = 0.5000 0.3656 0.0338 ( 12476 PWs) bands (ev): -21.2791 -21.2791 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1208 -12.1208 -12.1208 -12.1208 -10.3246 -10.3246 -10.3245 -10.3245 -9.6790 -9.6790 -9.6790 -9.6790 -8.8383 -8.8383 -8.8383 -8.8383 -6.8004 -6.8004 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3314 -3.3314 -3.3314 -3.3314 -1.8588 -1.8588 -1.8588 -1.8588 -1.5229 -1.5229 -1.5229 -1.5229 2.1933 2.1934 2.1935 2.1935 2.8678 2.8681 2.8682 2.8685 3.5055 3.5057 k = 0.5000 0.3656 0.0506 ( 12464 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1207 -12.1207 -12.1207 -12.1207 -10.3246 -10.3246 -10.3245 -10.3245 -9.6789 -9.6789 -9.6789 -9.6789 -8.8385 -8.8385 -8.8385 -8.8385 -6.8004 -6.8004 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3315 -3.3315 -3.3315 -3.3315 -1.8588 -1.8588 -1.8588 -1.8588 -1.5231 -1.5231 -1.5230 -1.5230 2.1980 2.1981 2.1982 2.1983 2.8732 2.8735 2.8738 2.8741 3.5035 3.5037 k = 0.5000 0.3656 0.0675 ( 12460 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9052 -18.9052 -14.5752 -14.5752 -14.5752 -14.5752 -12.1206 -12.1206 -12.1206 -12.1206 -10.3246 -10.3246 -10.3246 -10.3246 -9.6789 -9.6789 -9.6789 -9.6789 -8.8388 -8.8387 -8.8387 -8.8387 -6.8004 -6.8004 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3316 -3.3316 -3.3316 -3.3316 -1.8588 -1.8588 -1.8588 -1.8588 -1.5233 -1.5233 -1.5232 -1.5232 2.2045 2.2046 2.2047 2.2048 2.8808 2.8811 2.8815 2.8818 3.5011 3.5013 k = 0.5000 0.3656 0.0844 ( 12456 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5752 -14.5752 -12.1205 -12.1205 -12.1205 -12.1205 -10.3246 -10.3246 -10.3246 -10.3246 -9.6789 -9.6789 -9.6789 -9.6789 -8.8391 -8.8390 -8.8390 -8.8390 -6.8004 -6.8004 -6.8004 -6.8004 -5.8491 -5.8491 -5.8491 -5.8491 -3.3317 -3.3317 -3.3317 -3.3317 -1.8588 -1.8588 -1.8587 -1.8587 -1.5236 -1.5236 -1.5235 -1.5235 2.2125 2.2126 2.2127 2.2128 2.8906 2.8909 2.8915 2.8918 3.4984 3.4985 k = 0.5000 0.3656 0.1013 ( 12436 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5752 -14.5752 -12.1204 -12.1204 -12.1204 -12.1204 -10.3246 -10.3246 -10.3246 -10.3246 -9.6788 -9.6788 -9.6788 -9.6788 -8.8394 -8.8394 -8.8394 -8.8394 -6.8004 -6.8004 -6.8004 -6.8004 -5.8491 -5.8491 -5.8490 -5.8490 -3.3319 -3.3319 -3.3319 -3.3319 -1.8588 -1.8588 -1.8587 -1.8587 -1.5239 -1.5239 -1.5238 -1.5238 2.2218 2.2219 2.2221 2.2222 2.9026 2.9029 2.9036 2.9040 3.4956 3.4957 k = 0.5000 0.3656 0.1181 ( 12428 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5752 -14.5752 -12.1203 -12.1203 -12.1202 -12.1202 -10.3246 -10.3246 -10.3246 -10.3246 -9.6788 -9.6788 -9.6788 -9.6788 -8.8398 -8.8398 -8.8398 -8.8398 -6.8004 -6.8004 -6.8003 -6.8003 -5.8490 -5.8490 -5.8490 -5.8490 -3.3320 -3.3320 -3.3320 -3.3320 -1.8587 -1.8587 -1.8587 -1.8586 -1.5243 -1.5243 -1.5242 -1.5242 2.2322 2.2323 2.2325 2.2326 2.9168 2.9171 2.9180 2.9183 3.4929 3.4931 k = 0.5000 0.3656 0.1350 ( 12432 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5752 -14.5752 -12.1201 -12.1201 -12.1201 -12.1201 -10.3247 -10.3247 -10.3246 -10.3246 -9.6787 -9.6787 -9.6787 -9.6787 -8.8402 -8.8402 -8.8402 -8.8402 -6.8004 -6.8004 -6.8003 -6.8003 -5.8490 -5.8490 -5.8490 -5.8490 -3.3322 -3.3322 -3.3322 -3.3322 -1.8587 -1.8587 -1.8586 -1.8586 -1.5247 -1.5247 -1.5246 -1.5246 2.2434 2.2435 2.2437 2.2438 2.9332 2.9335 2.9345 2.9348 3.4908 3.4910 k = 0.5000 0.3656 0.1519 ( 12432 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5752 -14.5752 -12.1200 -12.1200 -12.1200 -12.1199 -10.3247 -10.3247 -10.3247 -10.3247 -9.6787 -9.6787 -9.6787 -9.6787 -8.8406 -8.8406 -8.8406 -8.8406 -6.8003 -6.8003 -6.8003 -6.8003 -5.8490 -5.8490 -5.8490 -5.8490 -3.3324 -3.3324 -3.3324 -3.3324 -1.8587 -1.8586 -1.8586 -1.8586 -1.5251 -1.5251 -1.5250 -1.5250 2.2550 2.2551 2.2554 2.2555 2.9515 2.9519 2.9530 2.9533 3.4896 3.4897 k = 0.5000 0.3656 0.1688 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5752 -14.5752 -14.5751 -14.5751 -12.1198 -12.1198 -12.1198 -12.1198 -10.3247 -10.3247 -10.3247 -10.3247 -9.6786 -9.6786 -9.6786 -9.6786 -8.8411 -8.8411 -8.8411 -8.8411 -6.8003 -6.8003 -6.8003 -6.8003 -5.8489 -5.8489 -5.8489 -5.8489 -3.3326 -3.3326 -3.3326 -3.3326 -1.8586 -1.8586 -1.8585 -1.8585 -1.5255 -1.5255 -1.5254 -1.5254 2.2668 2.2669 2.2672 2.2673 2.9717 2.9721 2.9732 2.9736 3.4897 3.4898 k = 0.5000 0.3656 0.1856 ( 12408 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9053 -18.9053 -18.9053 -18.9053 -14.5751 -14.5751 -14.5751 -14.5751 -12.1196 -12.1196 -12.1196 -12.1196 -10.3247 -10.3247 -10.3247 -10.3247 -9.6786 -9.6786 -9.6786 -9.6786 -8.8415 -8.8415 -8.8415 -8.8415 -6.8003 -6.8003 -6.8003 -6.8003 -5.8489 -5.8489 -5.8489 -5.8489 -3.3328 -3.3328 -3.3328 -3.3328 -1.8586 -1.8586 -1.8585 -1.8585 -1.5259 -1.5259 -1.5258 -1.5258 2.2784 2.2785 2.2788 2.2789 2.9933 2.9937 2.9948 2.9953 3.4917 3.4918 k = 0.5000 0.3656 0.2025 ( 12408 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9053 -18.9053 -14.5751 -14.5751 -14.5751 -14.5751 -12.1195 -12.1195 -12.1195 -12.1195 -10.3248 -10.3248 -10.3247 -10.3247 -9.6785 -9.6785 -9.6785 -9.6785 -8.8419 -8.8419 -8.8419 -8.8419 -6.8003 -6.8003 -6.8002 -6.8002 -5.8489 -5.8489 -5.8489 -5.8489 -3.3329 -3.3329 -3.3329 -3.3329 -1.8585 -1.8585 -1.8584 -1.8584 -1.5263 -1.5263 -1.5262 -1.5262 2.2895 2.2896 2.2899 2.2899 3.0158 3.0163 3.0174 3.0178 3.4962 3.4963 k = 0.5000 0.3656 0.2194 ( 12420 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9053 -18.9053 -14.5751 -14.5751 -14.5751 -14.5751 -12.1194 -12.1194 -12.1194 -12.1194 -10.3248 -10.3248 -10.3248 -10.3248 -9.6785 -9.6785 -9.6785 -9.6785 -8.8423 -8.8423 -8.8423 -8.8423 -6.8003 -6.8003 -6.8002 -6.8002 -5.8489 -5.8489 -5.8488 -5.8488 -3.3331 -3.3331 -3.3331 -3.3331 -1.8585 -1.8585 -1.8584 -1.8584 -1.5267 -1.5267 -1.5266 -1.5266 2.2998 2.2998 2.3001 2.3002 3.0386 3.0390 3.0401 3.0406 3.5040 3.5041 k = 0.5000 0.3656 0.2363 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1192 -12.1192 -12.1192 -12.1192 -10.3248 -10.3248 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8427 -8.8427 -8.8427 -8.8427 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3332 -3.3332 -3.3332 -3.3332 -1.8585 -1.8584 -1.8584 -1.8584 -1.5270 -1.5270 -1.5269 -1.5269 2.3089 2.3090 2.3092 2.3093 3.0607 3.0611 3.0621 3.0625 3.5159 3.5160 k = 0.5000 0.3656 0.2531 ( 12420 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1191 -12.1191 -12.1191 -12.1191 -10.3248 -10.3248 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8430 -8.8430 -8.8430 -8.8430 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3334 -3.3334 -3.3334 -3.3334 -1.8584 -1.8584 -1.8584 -1.8584 -1.5273 -1.5273 -1.5272 -1.5272 2.3167 2.3168 2.3170 2.3171 3.0810 3.0815 3.0822 3.0827 3.5329 3.5330 k = 0.5000 0.3656 0.2700 ( 12428 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1191 -12.1191 -12.1190 -12.1190 -10.3249 -10.3249 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8432 -8.8432 -8.8432 -8.8432 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3335 -3.3335 -3.3335 -3.3335 -1.8584 -1.8584 -1.8583 -1.8583 -1.5275 -1.5275 -1.5274 -1.5274 2.3230 2.3231 2.3232 2.3233 3.0983 3.0988 3.0993 3.0998 3.5559 3.5559 k = 0.5000 0.3656 0.2869 ( 12416 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1190 -12.1190 -12.1190 -12.1190 -10.3249 -10.3249 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8434 -8.8434 -8.8434 -8.8434 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3335 -3.3335 -3.3335 -3.3335 -1.8584 -1.8584 -1.8583 -1.8583 -1.5277 -1.5277 -1.5276 -1.5276 2.3277 2.3277 2.3278 2.3279 3.1116 3.1121 3.1123 3.1128 3.5854 3.5855 k = 0.5000 0.3656 0.3038 ( 12416 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1189 -12.1189 -12.1189 -12.1189 -10.3249 -10.3249 -10.3248 -10.3248 -9.6783 -9.6783 -9.6783 -9.6783 -8.8435 -8.8435 -8.8435 -8.8435 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3336 -3.3336 -3.3336 -3.3336 -1.8583 -1.8583 -1.8583 -1.8583 -1.5278 -1.5277 -1.5277 -1.5277 2.3305 2.3305 2.3306 2.3306 3.1200 3.1203 3.1206 3.1209 3.6216 3.6217 k = 0.5000 0.3656 0.3206 ( 12424 PWs) bands (ev): -21.2790 -21.2790 -21.2790 -21.2790 -18.9054 -18.9054 -18.9054 -18.9054 -14.5751 -14.5751 -14.5751 -14.5751 -12.1189 -12.1189 -12.1189 -12.1189 -10.3249 -10.3249 -10.3248 -10.3248 -9.6784 -9.6784 -9.6784 -9.6784 -8.8436 -8.8436 -8.8435 -8.8435 -6.8002 -6.8002 -6.8002 -6.8002 -5.8488 -5.8488 -5.8488 -5.8488 -3.3336 -3.3336 -3.3336 -3.3336 -1.8583 -1.8583 -1.8583 -1.8583 -1.5278 -1.5278 -1.5278 -1.5278 2.3315 2.3315 2.3315 2.3315 3.1230 3.1230 3.1235 3.1235 3.6589 3.6590 Writing output data file H4CSN2.save init_run : 1.31s CPU 0.91s WALL ( 1 calls) electrons : 569.32s CPU 490.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.17s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 569.31s CPU 490.60s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.25s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.44s WALL ( 288 calls) cegterg : 490.94s CPU 446.46s WALL ( 638 calls) Called by sum_band: Called by *egterg: h_psi : 301.21s CPU 236.24s WALL ( 10527 calls) s_psi : 9.60s CPU 7.60s WALL ( 10527 calls) g_psi : 0.39s CPU 0.37s WALL ( 9601 calls) cdiaghg : 198.52s CPU 191.99s WALL ( 9889 calls) cegterg:over : 19.98s CPU 19.32s WALL ( 9601 calls) cegterg:upda : 14.81s CPU 14.12s WALL ( 9601 calls) cegterg:last : 5.65s CPU 5.76s WALL ( 1214 calls) cdiaghg:chol : 7.23s CPU 7.19s WALL ( 9889 calls) cdiaghg:inve : 3.82s CPU 3.89s WALL ( 9889 calls) cdiaghg:para : 12.09s CPU 12.04s WALL ( 19778 calls) Called by h_psi: h_psi:vloc : 274.61s CPU 214.62s WALL ( 10527 calls) h_psi:vnl : 26.04s CPU 21.17s WALL ( 10527 calls) add_vuspsi : 12.42s CPU 9.74s WALL ( 10527 calls) General routines calbec : 13.56s CPU 11.39s WALL ( 10527 calls) fft : 0.16s CPU 0.10s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 264.97s CPU 206.55s WALL ( 905272 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.33s CPU 1.22s WALL ( 576 calls) Parallel routines fft_scatter : 198.20s CPU 163.39s WALL ( 905295 calls) PWSCF : 10m26.97s CPU 9m24.21s WALL This run was terminated on: 22:29: 0 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=