Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:33:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaIn.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 49 13 1816 1358 203 Max 61 50 14 1818 1376 207 Sum 2149 1777 499 65427 49229 7391 bravais-lattice index = 14 lattice parameter (alat) = 9.7973 a.u. unit-cell volume = 664.9728 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.797297 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 In 13.00 114.81800 In( 1.00) Na 9.00 22.98980 Na( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0034247 k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0034247 k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0034247 k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0034247 k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0034247 k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0034247 k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0034247 k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0034247 k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0034247 k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0034247 k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0034247 k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0034247 k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0034247 k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0034247 k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0034247 k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0034247 k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0034247 k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0034247 k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0034247 k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0034247 k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0034247 k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0034247 k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0034247 k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0034247 k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0034247 k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0034247 k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0034247 k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0034247 k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0034247 k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0034247 k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0034247 k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0034247 k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0034247 k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0034247 k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0034247 k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0034247 k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0034247 k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0034247 k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0034247 k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0034247 k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0034247 k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0034247 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034247 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034247 k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0034247 k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0034247 k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0034247 k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0034247 k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0034247 k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0034247 k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0034247 k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0034247 k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0034247 k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0034247 k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0034247 k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0034247 k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0034247 k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0034247 k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0034247 k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0034247 k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0034247 k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0034247 k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0034247 k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0034247 k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0034247 k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034247 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034247 k( 69) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0034247 k( 70) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0034247 k( 71) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0034247 k( 72) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0034247 k( 73) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0034247 k( 74) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0034247 k( 75) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0034247 k( 76) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0034247 k( 77) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0034247 k( 78) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0034247 k( 79) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0034247 k( 80) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0034247 k( 81) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0034247 k( 82) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0034247 k( 83) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0034247 k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034247 k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034247 k( 86) = ( 0.3668478 0.2117997 0.5990600), wk = 0.0034247 k( 87) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0034247 k( 88) = ( 0.3505435 0.2023864 0.5724351), wk = 0.0034247 k( 89) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0034247 k( 90) = ( 0.3342391 0.1929731 0.5458102), wk = 0.0034247 k( 91) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0034247 k( 92) = ( 0.3179348 0.1835597 0.5191853), wk = 0.0034247 k( 93) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0034247 k( 94) = ( 0.3016304 0.1741464 0.4925604), wk = 0.0034247 k( 95) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0034247 k( 96) = ( 0.2853261 0.1647331 0.4659355), wk = 0.0034247 k( 97) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0034247 k( 98) = ( 0.2690217 0.1553198 0.4393107), wk = 0.0034247 k( 99) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0034247 k( 100) = ( 0.2527174 0.1459065 0.4126858), wk = 0.0034247 k( 101) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0034247 k( 102) = ( 0.2364130 0.1364931 0.3860609), wk = 0.0034247 k( 103) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0034247 k( 104) = ( 0.2201087 0.1270798 0.3594360), wk = 0.0034247 k( 105) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0034247 k( 106) = ( 0.2038043 0.1176665 0.3328111), wk = 0.0034247 k( 107) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0034247 k( 108) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0034247 k( 109) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0034247 k( 110) = ( 0.1711957 0.0988399 0.2795613), wk = 0.0034247 k( 111) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0034247 k( 112) = ( 0.1548913 0.0894265 0.2529364), wk = 0.0034247 k( 113) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0034247 k( 114) = ( 0.1385870 0.0800132 0.2263115), wk = 0.0034247 k( 115) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0034247 k( 116) = ( 0.1222826 0.0705999 0.1996867), wk = 0.0034247 k( 117) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0034247 k( 118) = ( 0.1059783 0.0611866 0.1730618), wk = 0.0034247 k( 119) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0034247 k( 120) = ( 0.0896739 0.0517733 0.1464369), wk = 0.0034247 k( 121) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0034247 k( 122) = ( 0.0733696 0.0423599 0.1198120), wk = 0.0034247 k( 123) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0034247 k( 124) = ( 0.0570652 0.0329466 0.0931871), wk = 0.0034247 k( 125) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0034247 k( 126) = ( 0.0407609 0.0235333 0.0665622), wk = 0.0034247 k( 127) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0034247 k( 128) = ( 0.0244565 0.0141200 0.0399373), wk = 0.0034247 k( 129) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0034247 k( 130) = ( 0.0081522 0.0047067 0.0133125), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 133) = ( 0.0131579 0.0075967 0.0053717), wk = 0.0034247 k( 134) = ( 0.0263158 0.0151934 0.0107434), wk = 0.0034247 k( 135) = ( 0.0394737 0.0227901 0.0161151), wk = 0.0034247 k( 136) = ( 0.0526316 0.0303869 0.0214868), wk = 0.0034247 k( 137) = ( 0.0657895 0.0379836 0.0268584), wk = 0.0034247 k( 138) = ( 0.0789474 0.0455803 0.0322301), wk = 0.0034247 k( 139) = ( 0.0921053 0.0531770 0.0376018), wk = 0.0034247 k( 140) = ( 0.1052632 0.0607737 0.0429735), wk = 0.0034247 k( 141) = ( 0.1184210 0.0683704 0.0483452), wk = 0.0034247 k( 142) = ( 0.1315790 0.0759671 0.0537169), wk = 0.0034247 k( 143) = ( 0.1447368 0.0835639 0.0590886), wk = 0.0034247 k( 144) = ( 0.1578947 0.0911606 0.0644603), wk = 0.0034247 k( 145) = ( 0.1710526 0.0987573 0.0698319), wk = 0.0034247 k( 146) = ( 0.1842105 0.1063540 0.0752036), wk = 0.0034247 k( 147) = ( 0.1973684 0.1139507 0.0805753), wk = 0.0034247 k( 148) = ( 0.2105263 0.1215474 0.0859470), wk = 0.0034247 k( 149) = ( 0.2236842 0.1291441 0.0913187), wk = 0.0034247 k( 150) = ( 0.2368421 0.1367409 0.0966904), wk = 0.0034247 k( 151) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0034247 k( 152) = ( 0.2631579 0.1519343 0.1074338), wk = 0.0034247 k( 153) = ( 0.2763158 0.1595310 0.1128054), wk = 0.0034247 k( 154) = ( 0.2894737 0.1671277 0.1181771), wk = 0.0034247 k( 155) = ( 0.3026316 0.1747244 0.1235488), wk = 0.0034247 k( 156) = ( 0.3157895 0.1823211 0.1289205), wk = 0.0034247 k( 157) = ( 0.3289474 0.1899179 0.1342922), wk = 0.0034247 k( 158) = ( 0.3421053 0.1975146 0.1396639), wk = 0.0034247 k( 159) = ( 0.3552632 0.2051113 0.1450356), wk = 0.0034247 k( 160) = ( 0.3684211 0.2127080 0.1504073), wk = 0.0034247 k( 161) = ( 0.3815789 0.2203047 0.1557790), wk = 0.0034247 k( 162) = ( 0.3947368 0.2279014 0.1611506), wk = 0.0034247 k( 163) = ( 0.4078947 0.2354981 0.1665223), wk = 0.0034247 k( 164) = ( 0.4210526 0.2430948 0.1718940), wk = 0.0034247 k( 165) = ( 0.4342105 0.2506916 0.1772657), wk = 0.0034247 k( 166) = ( 0.4473684 0.2582883 0.1826374), wk = 0.0034247 k( 167) = ( 0.4605263 0.2658850 0.1880091), wk = 0.0034247 k( 168) = ( 0.4736842 0.2734817 0.1933808), wk = 0.0034247 k( 169) = ( 0.4868421 0.2810784 0.1987525), wk = 0.0034247 k( 170) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034247 k( 171) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034247 k( 172) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0034247 k( 173) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0034247 k( 174) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0034247 k( 175) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0034247 k( 176) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0034247 k( 177) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0034247 k( 178) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0034247 k( 179) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0034247 k( 180) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0034247 k( 181) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0034247 k( 182) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0034247 k( 183) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0034247 k( 184) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0034247 k( 185) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0034247 k( 186) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0034247 k( 187) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0034247 k( 188) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0034247 k( 189) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0034247 k( 190) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0034247 k( 191) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0034247 k( 192) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0034247 k( 193) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0034247 k( 194) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0034247 k( 195) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0034247 k( 196) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0034247 k( 197) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0034247 k( 198) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034247 k( 199) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034247 k( 200) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0034247 k( 201) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0034247 k( 202) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0034247 k( 203) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0034247 k( 204) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0034247 k( 205) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0034247 k( 206) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0034247 k( 207) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0034247 k( 208) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0034247 k( 209) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0034247 k( 210) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0034247 k( 211) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0034247 k( 212) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0034247 k( 213) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0034247 k( 214) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0034247 k( 215) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034247 k( 216) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034247 k( 217) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0034247 k( 218) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0034247 k( 219) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0034247 k( 220) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0034247 k( 221) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0034247 k( 222) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0034247 k( 223) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0034247 k( 224) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0034247 k( 225) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0034247 k( 226) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0034247 k( 227) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0034247 k( 228) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0034247 k( 229) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0034247 k( 230) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0034247 k( 231) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0034247 k( 232) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0034247 k( 233) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0034247 k( 234) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0034247 k( 235) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0034247 k( 236) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0034247 k( 237) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0034247 k( 238) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0034247 k( 239) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0034247 k( 240) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0034247 k( 241) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0034247 k( 242) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0034247 k( 243) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0034247 k( 244) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0034247 k( 245) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0034247 k( 246) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0034247 k( 247) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034247 k( 248) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034247 k( 249) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0034247 k( 250) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0034247 k( 251) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0034247 k( 252) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0034247 k( 253) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0034247 k( 254) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0034247 k( 255) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0034247 k( 256) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0034247 k( 257) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0034247 k( 258) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0034247 k( 259) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0034247 k( 260) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0034247 k( 261) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0034247 k( 262) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0034247 k( 263) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0034247 k( 264) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0034247 k( 265) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0034247 k( 266) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0034247 k( 267) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0034247 k( 268) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0034247 k( 269) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0034247 k( 270) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0034247 k( 271) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0034247 k( 272) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0034247 k( 273) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0034247 k( 274) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0034247 k( 275) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034247 k( 276) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034247 k( 277) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0034247 k( 278) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0034247 k( 279) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0034247 k( 280) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0034247 k( 281) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0034247 k( 282) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0034247 k( 283) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0034247 k( 284) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0034247 k( 285) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0034247 k( 286) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0034247 k( 287) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0034247 k( 288) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0034247 k( 289) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0034247 k( 290) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0034247 k( 291) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0034247 k( 292) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0034247 k( 3) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0034247 k( 4) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0034247 k( 5) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0034247 k( 6) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0034247 k( 7) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0034247 k( 8) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0034247 k( 9) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0034247 k( 10) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0034247 k( 11) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0034247 k( 12) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0034247 k( 13) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0034247 k( 14) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0034247 k( 15) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0034247 k( 16) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0034247 k( 17) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0034247 k( 18) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0034247 k( 19) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0034247 k( 20) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0034247 k( 21) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0034247 k( 22) = ( 0.2441860 -0.0000000 0.2441861), wk = 0.0034247 k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0034247 k( 24) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0034247 k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0034247 k( 26) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0034247 k( 27) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0034247 k( 28) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0034247 k( 29) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0034247 k( 30) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0034247 k( 31) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0034247 k( 32) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0034247 k( 33) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0034247 k( 34) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0034247 k( 35) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0034247 k( 36) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0034247 k( 37) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0034247 k( 38) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0034247 k( 39) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0034247 k( 40) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0034247 k( 41) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0034247 k( 42) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0034247 k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0034247 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0034247 k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0034247 k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0034247 k( 49) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0034247 k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0034247 k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0034247 k( 52) = ( 0.5000000 0.0795455 0.5795455), wk = 0.0034247 k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0034247 k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0034247 k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0034247 k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0034247 k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0034247 k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0034247 k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0034247 k( 60) = ( 0.5000000 0.1704546 0.6704546), wk = 0.0034247 k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0034247 k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0034247 k( 63) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0034247 k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0034247 k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0034247 k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0034247 k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034247 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034247 k( 69) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0034247 k( 70) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0034247 k( 71) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0034247 k( 72) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0034247 k( 73) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0034247 k( 74) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0034247 k( 75) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0034247 k( 76) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0034247 k( 77) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0034247 k( 78) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0034247 k( 79) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0034247 k( 80) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0034247 k( 81) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0034247 k( 82) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0034247 k( 83) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0034247 k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034247 k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034247 k( 86) = ( 0.3668478 0.3668478 0.7336957), wk = 0.0034247 k( 87) = ( 0.3586956 0.3586957 0.7173913), wk = 0.0034247 k( 88) = ( 0.3505435 0.3505435 0.7010870), wk = 0.0034247 k( 89) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0034247 k( 90) = ( 0.3342391 0.3342391 0.6684783), wk = 0.0034247 k( 91) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0034247 k( 92) = ( 0.3179348 0.3179348 0.6358696), wk = 0.0034247 k( 93) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0034247 k( 94) = ( 0.3016304 0.3016304 0.6032609), wk = 0.0034247 k( 95) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0034247 k( 96) = ( 0.2853261 0.2853261 0.5706522), wk = 0.0034247 k( 97) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0034247 k( 98) = ( 0.2690217 0.2690217 0.5380435), wk = 0.0034247 k( 99) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0034247 k( 100) = ( 0.2527174 0.2527174 0.5054348), wk = 0.0034247 k( 101) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0034247 k( 102) = ( 0.2364130 0.2364130 0.4728261), wk = 0.0034247 k( 103) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0034247 k( 104) = ( 0.2201087 0.2201087 0.4402174), wk = 0.0034247 k( 105) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0034247 k( 106) = ( 0.2038043 0.2038043 0.4076087), wk = 0.0034247 k( 107) = ( 0.1956522 0.1956522 0.3913044), wk = 0.0034247 k( 108) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0034247 k( 109) = ( 0.1793478 0.1793478 0.3586957), wk = 0.0034247 k( 110) = ( 0.1711957 0.1711957 0.3423913), wk = 0.0034247 k( 111) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0034247 k( 112) = ( 0.1548913 0.1548913 0.3097826), wk = 0.0034247 k( 113) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0034247 k( 114) = ( 0.1385870 0.1385870 0.2771739), wk = 0.0034247 k( 115) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0034247 k( 116) = ( 0.1222826 0.1222826 0.2445652), wk = 0.0034247 k( 117) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0034247 k( 118) = ( 0.1059783 0.1059783 0.2119565), wk = 0.0034247 k( 119) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0034247 k( 120) = ( 0.0896739 0.0896739 0.1793478), wk = 0.0034247 k( 121) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0034247 k( 122) = ( 0.0733696 0.0733696 0.1467391), wk = 0.0034247 k( 123) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0034247 k( 124) = ( 0.0570652 0.0570652 0.1141304), wk = 0.0034247 k( 125) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0034247 k( 126) = ( 0.0407609 0.0407609 0.0815217), wk = 0.0034247 k( 127) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0034247 k( 128) = ( 0.0244565 0.0244565 0.0489130), wk = 0.0034247 k( 129) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0034247 k( 130) = ( 0.0081522 0.0081522 0.0163043), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 133) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034247 k( 134) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034247 k( 135) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034247 k( 136) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034247 k( 137) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034247 k( 138) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034247 k( 139) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034247 k( 140) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034247 k( 141) = ( 0.1184210 0.1184210 0.1184211), wk = 0.0034247 k( 142) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0034247 k( 143) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034247 k( 144) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034247 k( 145) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034247 k( 146) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034247 k( 147) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034247 k( 148) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034247 k( 149) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034247 k( 150) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034247 k( 151) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034247 k( 152) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034247 k( 153) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034247 k( 154) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034247 k( 155) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034247 k( 156) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034247 k( 157) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034247 k( 158) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034247 k( 159) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034247 k( 160) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0034247 k( 161) = ( 0.3815789 0.3815790 0.3815790), wk = 0.0034247 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034247 k( 163) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034247 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034247 k( 165) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034247 k( 166) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034247 k( 167) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034247 k( 168) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034247 k( 169) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034247 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 172) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0034247 k( 173) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0034247 k( 174) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0034247 k( 175) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0034247 k( 176) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0034247 k( 177) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0034247 k( 178) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0034247 k( 179) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0034247 k( 180) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0034247 k( 181) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0034247 k( 182) = ( 0.5509259 0.3981482 0.5509259), wk = 0.0034247 k( 183) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0034247 k( 184) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0034247 k( 185) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0034247 k( 186) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0034247 k( 187) = ( 0.5740741 0.3518519 0.5740741), wk = 0.0034247 k( 188) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0034247 k( 189) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0034247 k( 190) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0034247 k( 191) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0034247 k( 192) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0034247 k( 193) = ( 0.6018518 0.2962963 0.6018519), wk = 0.0034247 k( 194) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0034247 k( 195) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0034247 k( 196) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0034247 k( 197) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0034247 k( 198) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034247 k( 199) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034247 k( 200) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0034247 k( 201) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0034247 k( 202) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0034247 k( 203) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0034247 k( 204) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0034247 k( 205) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0034247 k( 206) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0034247 k( 207) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0034247 k( 208) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0034247 k( 209) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0034247 k( 210) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0034247 k( 211) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0034247 k( 212) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0034247 k( 213) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0034247 k( 214) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0034247 k( 215) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034247 k( 216) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034247 k( 217) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0034247 k( 218) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0034247 k( 219) = ( 0.5000000 0.2741936 0.7258065), wk = 0.0034247 k( 220) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0034247 k( 221) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0034247 k( 222) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0034247 k( 223) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0034247 k( 224) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0034247 k( 225) = ( 0.5000000 0.3225807 0.6774194), wk = 0.0034247 k( 226) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0034247 k( 227) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0034247 k( 228) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0034247 k( 229) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0034247 k( 230) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0034247 k( 231) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0034247 k( 232) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0034247 k( 233) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0034247 k( 234) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0034247 k( 235) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0034247 k( 236) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0034247 k( 237) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0034247 k( 238) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0034247 k( 239) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0034247 k( 240) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0034247 k( 241) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0034247 k( 242) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0034247 k( 243) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0034247 k( 244) = ( 0.5000000 0.4758065 0.5241936), wk = 0.0034247 k( 245) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0034247 k( 246) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0034247 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 249) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0034247 k( 250) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0034247 k( 251) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0034247 k( 252) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0034247 k( 253) = ( 0.4768519 0.4768519 0.5462963), wk = 0.0034247 k( 254) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0034247 k( 255) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0034247 k( 256) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0034247 k( 257) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0034247 k( 258) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0034247 k( 259) = ( 0.4490741 0.4490741 0.6018519), wk = 0.0034247 k( 260) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0034247 k( 261) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0034247 k( 262) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0034247 k( 263) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0034247 k( 264) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0034247 k( 265) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0034247 k( 266) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0034247 k( 267) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0034247 k( 268) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0034247 k( 269) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0034247 k( 270) = ( 0.3981481 0.3981482 0.7037037), wk = 0.0034247 k( 271) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0034247 k( 272) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0034247 k( 273) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0034247 k( 274) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0034247 k( 275) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034247 k( 276) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034247 k( 277) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0034247 k( 278) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0034247 k( 279) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0034247 k( 280) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0034247 k( 281) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0034247 k( 282) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0034247 k( 283) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0034247 k( 284) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0034247 k( 285) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0034247 k( 286) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0034247 k( 287) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0034247 k( 288) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0034247 k( 289) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0034247 k( 290) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0034247 k( 291) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0034247 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 Dense grid: 65427 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 49229 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 348, 52) NL pseudopotentials 0.25 Mb ( 174, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1817) G-vector shells 0.00 Mb ( 470) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 348, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.15 Mb ( 96, 2, 52) The potential is recalculated from file : ./NaIn.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.3 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.4 secs Computing kpt #: 29 total cpu time spent up to now is 17.0 secs Computing kpt #: 30 total cpu time spent up to now is 17.6 secs Computing kpt #: 31 total cpu time spent up to now is 18.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 21.9 secs Computing kpt #: 39 total cpu time spent up to now is 22.4 secs Computing kpt #: 40 total cpu time spent up to now is 22.9 secs Computing kpt #: 41 total cpu time spent up to now is 23.4 secs Computing kpt #: 42 total cpu time spent up to now is 23.9 secs Computing kpt #: 43 total cpu time spent up to now is 24.4 secs Computing kpt #: 44 total cpu time spent up to now is 24.9 secs Computing kpt #: 45 total cpu time spent up to now is 25.4 secs Computing kpt #: 46 total cpu time spent up to now is 25.9 secs Computing kpt #: 47 total cpu time spent up to now is 26.4 secs Computing kpt #: 48 total cpu time spent up to now is 26.9 secs Computing kpt #: 49 total cpu time spent up to now is 27.5 secs Computing kpt #: 50 total cpu time spent up to now is 28.0 secs Computing kpt #: 51 total cpu time spent up to now is 28.5 secs Computing kpt #: 52 total cpu time spent up to now is 29.0 secs Computing kpt #: 53 total cpu time spent up to now is 29.5 secs Computing kpt #: 54 total cpu time spent up to now is 30.0 secs Computing kpt #: 55 total cpu time spent up to now is 30.5 secs Computing kpt #: 56 total cpu time spent up to now is 31.0 secs Computing kpt #: 57 total cpu time spent up to now is 31.5 secs Computing kpt #: 58 total cpu time spent up to now is 32.0 secs Computing kpt #: 59 total cpu time spent up to now is 32.5 secs Computing kpt #: 60 total cpu time spent up to now is 33.0 secs Computing kpt #: 61 total cpu time spent up to now is 33.4 secs Computing kpt #: 62 total cpu time spent up to now is 33.9 secs Computing kpt #: 63 total cpu time spent up to now is 34.3 secs Computing kpt #: 64 total cpu time spent up to now is 34.8 secs Computing kpt #: 65 total cpu time spent up to now is 35.3 secs Computing kpt #: 66 total cpu time spent up to now is 35.7 secs Computing kpt #: 67 total cpu time spent up to now is 36.1 secs Computing kpt #: 68 total cpu time spent up to now is 36.6 secs Computing kpt #: 69 total cpu time spent up to now is 37.0 secs Computing kpt #: 70 total cpu time spent up to now is 37.5 secs Computing kpt #: 71 total cpu time spent up to now is 37.9 secs Computing kpt #: 72 total cpu time spent up to now is 38.4 secs Computing kpt #: 73 total cpu time spent up to now is 38.8 secs Computing kpt #: 74 total cpu time spent up to now is 39.3 secs Computing kpt #: 75 total cpu time spent up to now is 39.8 secs Computing kpt #: 76 total cpu time spent up to now is 40.2 secs Computing kpt #: 77 total cpu time spent up to now is 40.7 secs Computing kpt #: 78 total cpu time spent up to now is 41.2 secs Computing kpt #: 79 total cpu time spent up to now is 41.7 secs Computing kpt #: 80 total cpu time spent up to now is 42.2 secs Computing kpt #: 81 total cpu time spent up to now is 42.7 secs Computing kpt #: 82 total cpu time spent up to now is 43.2 secs Computing kpt #: 83 total cpu time spent up to now is 43.7 secs Computing kpt #: 84 total cpu time spent up to now is 44.2 secs Computing kpt #: 85 total cpu time spent up to now is 44.7 secs Computing kpt #: 86 total cpu time spent up to now is 45.2 secs Computing kpt #: 87 total cpu time spent up to now is 45.7 secs Computing kpt #: 88 total cpu time spent up to now is 46.2 secs Computing kpt #: 89 total cpu time spent up to now is 46.7 secs Computing kpt #: 90 total cpu time spent up to now is 47.3 secs Computing kpt #: 91 total cpu time spent up to now is 47.8 secs Computing kpt #: 92 total cpu time spent up to now is 48.3 secs Computing kpt #: 93 total cpu time spent up to now is 48.8 secs Computing kpt #: 94 total cpu time spent up to now is 49.3 secs Computing kpt #: 95 total cpu time spent up to now is 49.8 secs Computing kpt #: 96 total cpu time spent up to now is 50.3 secs Computing kpt #: 97 total cpu time spent up to now is 50.8 secs Computing kpt #: 98 total cpu time spent up to now is 51.3 secs Computing kpt #: 99 total cpu time spent up to now is 51.8 secs Computing kpt #: 100 total cpu time spent up to now is 52.3 secs Computing kpt #: 101 total cpu time spent up to now is 52.8 secs Computing kpt #: 102 total cpu time spent up to now is 53.2 secs Computing kpt #: 103 total cpu time spent up to now is 53.7 secs Computing kpt #: 104 total cpu time spent up to now is 54.2 secs Computing kpt #: 105 total cpu time spent up to now is 54.7 secs Computing kpt #: 106 total cpu time spent up to now is 55.2 secs Computing kpt #: 107 total cpu time spent up to now is 55.7 secs Computing kpt #: 108 total cpu time spent up to now is 56.2 secs Computing kpt #: 109 total cpu time spent up to now is 56.7 secs Computing kpt #: 110 total cpu time spent up to now is 57.2 secs Computing kpt #: 111 total cpu time spent up to now is 57.7 secs Computing kpt #: 112 total cpu time spent up to now is 58.2 secs Computing kpt #: 113 total cpu time spent up to now is 58.7 secs Computing kpt #: 114 total cpu time spent up to now is 59.2 secs Computing kpt #: 115 total cpu time spent up to now is 59.7 secs Computing kpt #: 116 total cpu time spent up to now is 60.2 secs Computing kpt #: 117 total cpu time spent up to now is 60.7 secs Computing kpt #: 118 total cpu time spent up to now is 61.2 secs Computing kpt #: 119 total cpu time spent up to now is 61.7 secs Computing kpt #: 120 total cpu time spent up to now is 62.2 secs Computing kpt #: 121 total cpu time spent up to now is 62.7 secs Computing kpt #: 122 total cpu time spent up to now is 63.2 secs Computing kpt #: 123 total cpu time spent up to now is 63.7 secs Computing kpt #: 124 total cpu time spent up to now is 64.2 secs Computing kpt #: 125 total cpu time spent up to now is 64.7 secs Computing kpt #: 126 total cpu time spent up to now is 65.2 secs Computing kpt #: 127 total cpu time spent up to now is 65.7 secs Computing kpt #: 128 total cpu time spent up to now is 66.1 secs Computing kpt #: 129 total cpu time spent up to now is 66.6 secs Computing kpt #: 130 total cpu time spent up to now is 67.1 secs Computing kpt #: 131 total cpu time spent up to now is 67.6 secs Computing kpt #: 132 total cpu time spent up to now is 68.0 secs Computing kpt #: 133 total cpu time spent up to now is 68.5 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.5 secs Computing kpt #: 136 total cpu time spent up to now is 70.0 secs Computing kpt #: 137 total cpu time spent up to now is 70.5 secs Computing kpt #: 138 total cpu time spent up to now is 71.0 secs Computing kpt #: 139 total cpu time spent up to now is 71.5 secs Computing kpt #: 140 total cpu time spent up to now is 72.0 secs Computing kpt #: 141 total cpu time spent up to now is 72.5 secs Computing kpt #: 142 total cpu time spent up to now is 73.0 secs Computing kpt #: 143 total cpu time spent up to now is 73.5 secs Computing kpt #: 144 total cpu time spent up to now is 73.9 secs Computing kpt #: 145 total cpu time spent up to now is 74.4 secs Computing kpt #: 146 total cpu time spent up to now is 74.9 secs Computing kpt #: 147 total cpu time spent up to now is 75.4 secs Computing kpt #: 148 total cpu time spent up to now is 76.0 secs Computing kpt #: 149 total cpu time spent up to now is 76.5 secs Computing kpt #: 150 total cpu time spent up to now is 77.0 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 78.0 secs Computing kpt #: 153 total cpu time spent up to now is 78.6 secs Computing kpt #: 154 total cpu time spent up to now is 79.1 secs Computing kpt #: 155 total cpu time spent up to now is 79.8 secs Computing kpt #: 156 total cpu time spent up to now is 80.3 secs Computing kpt #: 157 total cpu time spent up to now is 80.8 secs Computing kpt #: 158 total cpu time spent up to now is 81.4 secs Computing kpt #: 159 total cpu time spent up to now is 81.9 secs Computing kpt #: 160 total cpu time spent up to now is 82.4 secs Computing kpt #: 161 total cpu time spent up to now is 83.0 secs Computing kpt #: 162 total cpu time spent up to now is 83.5 secs Computing kpt #: 163 total cpu time spent up to now is 83.9 secs Computing kpt #: 164 total cpu time spent up to now is 84.4 secs Computing kpt #: 165 total cpu time spent up to now is 84.9 secs Computing kpt #: 166 total cpu time spent up to now is 85.4 secs Computing kpt #: 167 total cpu time spent up to now is 85.8 secs Computing kpt #: 168 total cpu time spent up to now is 86.3 secs Computing kpt #: 169 total cpu time spent up to now is 86.8 secs Computing kpt #: 170 total cpu time spent up to now is 87.2 secs Computing kpt #: 171 total cpu time spent up to now is 87.7 secs Computing kpt #: 172 total cpu time spent up to now is 88.1 secs Computing kpt #: 173 total cpu time spent up to now is 88.6 secs Computing kpt #: 174 total cpu time spent up to now is 89.1 secs Computing kpt #: 175 total cpu time spent up to now is 89.6 secs Computing kpt #: 176 total cpu time spent up to now is 90.1 secs Computing kpt #: 177 total cpu time spent up to now is 90.6 secs Computing kpt #: 178 total cpu time spent up to now is 91.1 secs Computing kpt #: 179 total cpu time spent up to now is 91.6 secs Computing kpt #: 180 total cpu time spent up to now is 92.2 secs Computing kpt #: 181 total cpu time spent up to now is 92.7 secs Computing kpt #: 182 total cpu time spent up to now is 93.2 secs Computing kpt #: 183 total cpu time spent up to now is 93.7 secs Computing kpt #: 184 total cpu time spent up to now is 94.2 secs Computing kpt #: 185 total cpu time spent up to now is 94.7 secs Computing kpt #: 186 total cpu time spent up to now is 95.2 secs Computing kpt #: 187 total cpu time spent up to now is 95.7 secs Computing kpt #: 188 total cpu time spent up to now is 96.2 secs Computing kpt #: 189 total cpu time spent up to now is 96.7 secs Computing kpt #: 190 total cpu time spent up to now is 97.2 secs Computing kpt #: 191 total cpu time spent up to now is 97.7 secs Computing kpt #: 192 total cpu time spent up to now is 98.2 secs Computing kpt #: 193 total cpu time spent up to now is 98.7 secs Computing kpt #: 194 total cpu time spent up to now is 99.2 secs Computing kpt #: 195 total cpu time spent up to now is 99.8 secs Computing kpt #: 196 total cpu time spent up to now is 100.3 secs Computing kpt #: 197 total cpu time spent up to now is 100.8 secs Computing kpt #: 198 total cpu time spent up to now is 101.3 secs Computing kpt #: 199 total cpu time spent up to now is 101.8 secs Computing kpt #: 200 total cpu time spent up to now is 102.3 secs Computing kpt #: 201 total cpu time spent up to now is 102.8 secs Computing kpt #: 202 total cpu time spent up to now is 103.3 secs Computing kpt #: 203 total cpu time spent up to now is 103.8 secs Computing kpt #: 204 total cpu time spent up to now is 104.3 secs Computing kpt #: 205 total cpu time spent up to now is 104.7 secs Computing kpt #: 206 total cpu time spent up to now is 105.2 secs Computing kpt #: 207 total cpu time spent up to now is 105.7 secs Computing kpt #: 208 total cpu time spent up to now is 106.1 secs Computing kpt #: 209 total cpu time spent up to now is 106.6 secs Computing kpt #: 210 total cpu time spent up to now is 107.1 secs Computing kpt #: 211 total cpu time spent up to now is 107.5 secs Computing kpt #: 212 total cpu time spent up to now is 108.0 secs Computing kpt #: 213 total cpu time spent up to now is 108.4 secs Computing kpt #: 214 total cpu time spent up to now is 108.9 secs Computing kpt #: 215 total cpu time spent up to now is 109.3 secs Computing kpt #: 216 total cpu time spent up to now is 109.8 secs Computing kpt #: 217 total cpu time spent up to now is 110.2 secs Computing kpt #: 218 total cpu time spent up to now is 110.7 secs Computing kpt #: 219 total cpu time spent up to now is 111.1 secs Computing kpt #: 220 total cpu time spent up to now is 111.6 secs Computing kpt #: 221 total cpu time spent up to now is 112.0 secs Computing kpt #: 222 total cpu time spent up to now is 112.5 secs Computing kpt #: 223 total cpu time spent up to now is 113.0 secs Computing kpt #: 224 total cpu time spent up to now is 113.4 secs Computing kpt #: 225 total cpu time spent up to now is 113.9 secs Computing kpt #: 226 total cpu time spent up to now is 114.4 secs Computing kpt #: 227 total cpu time spent up to now is 114.9 secs Computing kpt #: 228 total cpu time spent up to now is 115.4 secs Computing kpt #: 229 total cpu time spent up to now is 115.9 secs Computing kpt #: 230 total cpu time spent up to now is 116.5 secs Computing kpt #: 231 total cpu time spent up to now is 117.0 secs Computing kpt #: 232 total cpu time spent up to now is 117.5 secs Computing kpt #: 233 total cpu time spent up to now is 118.0 secs Computing kpt #: 234 total cpu time spent up to now is 118.5 secs Computing kpt #: 235 total cpu time spent up to now is 119.0 secs Computing kpt #: 236 total cpu time spent up to now is 119.6 secs Computing kpt #: 237 total cpu time spent up to now is 120.1 secs Computing kpt #: 238 total cpu time spent up to now is 120.6 secs Computing kpt #: 239 total cpu time spent up to now is 121.2 secs Computing kpt #: 240 total cpu time spent up to now is 121.7 secs Computing kpt #: 241 total cpu time spent up to now is 122.2 secs Computing kpt #: 242 total cpu time spent up to now is 122.7 secs Computing kpt #: 243 total cpu time spent up to now is 123.2 secs Computing kpt #: 244 total cpu time spent up to now is 123.6 secs Computing kpt #: 245 total cpu time spent up to now is 124.1 secs Computing kpt #: 246 total cpu time spent up to now is 124.6 secs Computing kpt #: 247 total cpu time spent up to now is 125.0 secs Computing kpt #: 248 total cpu time spent up to now is 125.5 secs Computing kpt #: 249 total cpu time spent up to now is 126.0 secs Computing kpt #: 250 total cpu time spent up to now is 126.4 secs Computing kpt #: 251 total cpu time spent up to now is 126.9 secs Computing kpt #: 252 total cpu time spent up to now is 127.4 secs Computing kpt #: 253 total cpu time spent up to now is 127.9 secs Computing kpt #: 254 total cpu time spent up to now is 128.4 secs Computing kpt #: 255 total cpu time spent up to now is 128.9 secs Computing kpt #: 256 total cpu time spent up to now is 129.5 secs Computing kpt #: 257 total cpu time spent up to now is 130.0 secs Computing kpt #: 258 total cpu time spent up to now is 130.5 secs Computing kpt #: 259 total cpu time spent up to now is 131.1 secs Computing kpt #: 260 total cpu time spent up to now is 131.6 secs Computing kpt #: 261 total cpu time spent up to now is 132.1 secs Computing kpt #: 262 total cpu time spent up to now is 132.8 secs Computing kpt #: 263 total cpu time spent up to now is 133.3 secs Computing kpt #: 264 total cpu time spent up to now is 133.8 secs Computing kpt #: 265 total cpu time spent up to now is 134.3 secs Computing kpt #: 266 total cpu time spent up to now is 134.8 secs Computing kpt #: 267 total cpu time spent up to now is 135.3 secs Computing kpt #: 268 total cpu time spent up to now is 135.8 secs Computing kpt #: 269 total cpu time spent up to now is 136.3 secs Computing kpt #: 270 total cpu time spent up to now is 136.8 secs Computing kpt #: 271 total cpu time spent up to now is 137.3 secs Computing kpt #: 272 total cpu time spent up to now is 137.8 secs Computing kpt #: 273 total cpu time spent up to now is 138.3 secs Computing kpt #: 274 total cpu time spent up to now is 138.8 secs Computing kpt #: 275 total cpu time spent up to now is 139.3 secs Computing kpt #: 276 total cpu time spent up to now is 139.9 secs Computing kpt #: 277 total cpu time spent up to now is 140.4 secs Computing kpt #: 278 total cpu time spent up to now is 140.9 secs Computing kpt #: 279 total cpu time spent up to now is 141.4 secs Computing kpt #: 280 total cpu time spent up to now is 141.9 secs Computing kpt #: 281 total cpu time spent up to now is 142.4 secs Computing kpt #: 282 total cpu time spent up to now is 142.9 secs Computing kpt #: 283 total cpu time spent up to now is 143.4 secs Computing kpt #: 284 total cpu time spent up to now is 143.9 secs Computing kpt #: 285 total cpu time spent up to now is 144.4 secs Computing kpt #: 286 total cpu time spent up to now is 144.9 secs Computing kpt #: 287 total cpu time spent up to now is 145.4 secs Computing kpt #: 288 total cpu time spent up to now is 145.9 secs Computing kpt #: 289 total cpu time spent up to now is 146.4 secs Computing kpt #: 290 total cpu time spent up to now is 146.9 secs Computing kpt #: 291 total cpu time spent up to now is 147.4 secs Computing kpt #: 292 total cpu time spent up to now is 147.9 secs ethr = 2.27E-08, avg # of iterations = 15.6 total cpu time spent up to now is 147.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6502 -17.6502 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6689 -7.6689 -6.9586 -6.9586 -6.8326 -6.8326 -6.8326 -6.8326 -6.7810 -6.7810 -6.7810 -6.7810 -6.7148 -6.7148 -0.6819 -0.6819 6.7849 6.7849 7.7208 7.7208 8.1384 8.1384 8.1384 8.1384 8.6562 8.6562 8.9220 8.9220 8.9220 8.9220 k = 0.0116-0.0067 0.0095 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6688 -7.6688 -6.9586 -6.9586 -6.8328 -6.8328 -6.8327 -6.8327 -6.7809 -6.7809 -6.7809 -6.7809 -6.7149 -6.7149 -0.6805 -0.6805 6.7691 6.7691 7.7195 7.7195 8.1153 8.1153 8.1424 8.1424 8.6718 8.6718 8.9232 8.9232 8.9365 8.9365 k = 0.0233-0.0134 0.0190 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7206 -7.7206 -7.6689 -7.6689 -7.6688 -7.6688 -6.9584 -6.9584 -6.8333 -6.8333 -6.8328 -6.8328 -6.7807 -6.7807 -6.7805 -6.7805 -6.7149 -6.7149 -0.6761 -0.6761 6.7241 6.7241 7.7112 7.7112 8.0552 8.0552 8.1585 8.1585 8.7013 8.7013 8.9355 8.9355 8.9781 8.9781 k = 0.0349-0.0201 0.0285 ( 6178 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6960 -17.6960 -17.6505 -17.6505 -17.5185 -17.5185 -17.5185 -17.5185 -17.4718 -17.4718 -17.4717 -17.4717 -7.7208 -7.7208 -7.7206 -7.7206 -7.6690 -7.6690 -7.6687 -7.6687 -6.9580 -6.9580 -6.8341 -6.8341 -6.8329 -6.8329 -6.7804 -6.7804 -6.7799 -6.7799 -6.7151 -6.7151 -0.6689 -0.6689 6.6554 6.6554 7.6872 7.6872 7.9740 7.9740 8.1943 8.1943 8.7102 8.7102 8.9794 8.9794 9.0420 9.0420 k = 0.0465-0.0269 0.0380 ( 6162 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6958 -17.6958 -17.6506 -17.6506 -17.5184 -17.5184 -17.5184 -17.5184 -17.4718 -17.4718 -17.4717 -17.4717 -7.7208 -7.7208 -7.7205 -7.7205 -7.6691 -7.6691 -7.6686 -7.6686 -6.9576 -6.9576 -6.8352 -6.8352 -6.8331 -6.8331 -6.7800 -6.7800 -6.7791 -6.7791 -6.7153 -6.7153 -0.6587 -0.6587 6.5691 6.5691 7.6442 7.6442 7.8824 7.8824 8.2523 8.2523 8.6860 8.6860 9.0592 9.0592 9.1226 9.1226 k = 0.0581-0.0336 0.0475 ( 6142 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6957 -17.6957 -17.6508 -17.6508 -17.5183 -17.5183 -17.5182 -17.5182 -17.4719 -17.4719 -17.4717 -17.4717 -7.7208 -7.7208 -7.7204 -7.7204 -7.6692 -7.6692 -7.6684 -7.6684 -6.9570 -6.9570 -6.8366 -6.8366 -6.8334 -6.8334 -6.7794 -6.7794 -6.7782 -6.7782 -6.7156 -6.7156 -0.6457 -0.6457 6.4703 6.4703 7.5852 7.5852 7.7860 7.7860 8.3282 8.3282 8.6397 8.6397 9.1609 9.1609 9.2157 9.2157 k = 0.0698-0.0403 0.0570 ( 6134 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6955 -17.6955 -17.6511 -17.6511 -17.5182 -17.5182 -17.5180 -17.5180 -17.4719 -17.4719 -17.4717 -17.4717 -7.7209 -7.7209 -7.7202 -7.7202 -7.6694 -7.6694 -7.6682 -7.6682 -6.9562 -6.9562 -6.8381 -6.8381 -6.8338 -6.8338 -6.7788 -6.7788 -6.7772 -6.7772 -6.7159 -6.7159 -0.6297 -0.6297 6.3628 6.3628 7.5153 7.5153 7.6877 7.6877 8.4160 8.4160 8.5809 8.5809 9.2744 9.2744 9.3178 9.3178 k = 0.0814-0.0470 0.0665 ( 6126 PWs) bands (ev): -45.6214 -45.6214 -45.6104 -45.6104 -17.6954 -17.6954 -17.6514 -17.6514 -17.5181 -17.5181 -17.5178 -17.5178 -17.4720 -17.4720 -17.4717 -17.4717 -7.7210 -7.7210 -7.7201 -7.7201 -7.6695 -7.6695 -7.6680 -7.6680 -6.9554 -6.9554 -6.8399 -6.8399 -6.8342 -6.8342 -6.7780 -6.7780 -6.7761 -6.7761 -6.7163 -6.7163 -0.6109 -0.6109 6.2491 6.2491 7.4384 7.4384 7.5892 7.5892 8.5105 8.5105 8.5148 8.5148 9.3948 9.3948 9.4267 9.4267 k = 0.0930-0.0537 0.0760 ( 6142 PWs) bands (ev): -45.6214 -45.6214 -45.6105 -45.6105 -17.6953 -17.6953 -17.6518 -17.6518 -17.5182 -17.5182 -17.5177 -17.5177 -17.4721 -17.4721 -17.4717 -17.4717 -7.7210 -7.7210 -7.7199 -7.7199 -7.6697 -7.6697 -7.6678 -7.6678 -6.9544 -6.9544 -6.8418 -6.8418 -6.8346 -6.8346 -6.7771 -6.7771 -6.7749 -6.7749 -6.7167 -6.7167 -0.5892 -0.5892 6.1311 6.1311 7.3576 7.3576 7.4912 7.4912 8.4444 8.4444 8.6074 8.6074 9.5198 9.5198 9.5405 9.5405 k = 0.1047-0.0604 0.0854 ( 6138 PWs) bands (ev): -45.6213 -45.6213 -45.6106 -45.6106 -17.6951 -17.6951 -17.6521 -17.6521 -17.5181 -17.5181 -17.5175 -17.5175 -17.4721 -17.4721 -17.4717 -17.4717 -7.7211 -7.7211 -7.7197 -7.7197 -7.6700 -7.6700 -7.6676 -7.6676 -6.9533 -6.9533 -6.8438 -6.8438 -6.8352 -6.8352 -6.7761 -6.7761 -6.7737 -6.7737 -6.7172 -6.7172 -0.5647 -0.5647 6.0099 6.0099 7.2747 7.2747 7.3946 7.3946 8.3717 8.3717 8.7033 8.7033 9.6480 9.6480 9.6582 9.6582 k = 0.1163-0.0671 0.0949 ( 6146 PWs) bands (ev): -45.6212 -45.6212 -45.6107 -45.6107 -17.6949 -17.6949 -17.6526 -17.6526 -17.5181 -17.5181 -17.5173 -17.5173 -17.4722 -17.4722 -17.4717 -17.4717 -7.7212 -7.7212 -7.7194 -7.7194 -7.6702 -7.6702 -7.6673 -7.6673 -6.9521 -6.9521 -6.8459 -6.8459 -6.8357 -6.8357 -6.7750 -6.7750 -6.7726 -6.7726 -6.7176 -6.7176 -0.5373 -0.5373 5.8864 5.8864 7.1911 7.1911 7.2995 7.2995 8.2979 8.2979 8.7947 8.7947 9.7786 9.7786 9.7787 9.7787 k = 0.1279-0.0738 0.1044 ( 6146 PWs) bands (ev): -45.6211 -45.6211 -45.6107 -45.6107 -17.6947 -17.6947 -17.6530 -17.6530 -17.5180 -17.5180 -17.5171 -17.5171 -17.4723 -17.4723 -17.4717 -17.4717 -7.7213 -7.7213 -7.7192 -7.7192 -7.6705 -7.6705 -7.6671 -7.6671 -6.9507 -6.9507 -6.8481 -6.8481 -6.8363 -6.8363 -6.7738 -6.7738 -6.7716 -6.7716 -6.7181 -6.7181 -0.5070 -0.5070 5.7612 5.7612 7.1075 7.1075 7.2063 7.2063 8.2240 8.2240 8.8780 8.8780 9.9013 9.9013 9.9110 9.9110 k = 0.1395-0.0806 0.1139 ( 6138 PWs) bands (ev): -45.6211 -45.6211 -45.6108 -45.6108 -17.6945 -17.6945 -17.6535 -17.6535 -17.5179 -17.5179 -17.5169 -17.5169 -17.4724 -17.4724 -17.4717 -17.4717 -7.7214 -7.7214 -7.7189 -7.7189 -7.6708 -7.6708 -7.6668 -7.6668 -6.9493 -6.9493 -6.8504 -6.8504 -6.8370 -6.8370 -6.7725 -6.7725 -6.7706 -6.7706 -6.7185 -6.7185 -0.4739 -0.4739 5.6348 5.6348 7.0246 7.0246 7.1152 7.1152 8.1508 8.1508 8.9495 8.9495 10.0251 10.0251 10.0448 10.0448 k = 0.1512-0.0873 0.1234 ( 6154 PWs) bands (ev): -45.6210 -45.6210 -45.6109 -45.6109 -17.6943 -17.6943 -17.6541 -17.6541 -17.5179 -17.5179 -17.5167 -17.5167 -17.4726 -17.4726 -17.4717 -17.4717 -7.7214 -7.7214 -7.7187 -7.7187 -7.6710 -7.6710 -7.6665 -7.6665 -6.9477 -6.9477 -6.8526 -6.8526 -6.8376 -6.8376 -6.7712 -6.7712 -6.7698 -6.7698 -6.7190 -6.7190 -0.4380 -0.4380 5.5075 5.5075 6.9429 6.9429 7.0264 7.0264 8.0788 8.0788 9.0047 9.0047 10.1493 10.1493 10.1796 10.1796 k = 0.1628-0.0940 0.1329 ( 6162 PWs) bands (ev): -45.6209 -45.6209 -45.6110 -45.6110 -17.6940 -17.6940 -17.6547 -17.6547 -17.5178 -17.5178 -17.5165 -17.5165 -17.4727 -17.4727 -17.4718 -17.4718 -7.7215 -7.7215 -7.7184 -7.7184 -7.6713 -7.6713 -7.6662 -7.6662 -6.9460 -6.9460 -6.8549 -6.8549 -6.8384 -6.8384 -6.7697 -6.7697 -6.7691 -6.7691 -6.7194 -6.7194 -0.3993 -0.3993 5.3796 5.3796 6.8626 6.8626 6.9399 6.9399 8.0084 8.0084 9.0398 9.0398 10.2728 10.2728 10.3151 10.3151 k = 0.1744-0.1007 0.1424 ( 6162 PWs) bands (ev): -45.6208 -45.6208 -45.6111 -45.6111 -17.6937 -17.6937 -17.6553 -17.6553 -17.5177 -17.5177 -17.5163 -17.5163 -17.4728 -17.4728 -17.4718 -17.4718 -7.7216 -7.7216 -7.7181 -7.7181 -7.6716 -7.6716 -7.6659 -7.6659 -6.9443 -6.9443 -6.8572 -6.8572 -6.8391 -6.8391 -6.7686 -6.7686 -6.7682 -6.7682 -6.7198 -6.7198 -0.3578 -0.3578 5.2513 5.2513 6.7842 6.7842 6.8559 6.8559 7.9400 7.9400 9.0521 9.0521 10.3944 10.3944 10.4510 10.4510 k = 0.1860-0.1074 0.1519 ( 6150 PWs) bands (ev): -45.6207 -45.6207 -45.6112 -45.6112 -17.6934 -17.6934 -17.6559 -17.6559 -17.5176 -17.5176 -17.5160 -17.5160 -17.4729 -17.4729 -17.4717 -17.4717 -7.7216 -7.7216 -7.7178 -7.7178 -7.6720 -7.6720 -7.6657 -7.6657 -6.9424 -6.9424 -6.8595 -6.8595 -6.8398 -6.8398 -6.7682 -6.7682 -6.7666 -6.7666 -6.7201 -6.7201 -0.3135 -0.3135 5.1226 5.1226 6.7077 6.7077 6.7744 6.7744 7.8738 7.8738 9.0408 9.0408 10.5120 10.5120 10.5869 10.5869 k = 0.1977-0.1141 0.1614 ( 6162 PWs) bands (ev): -45.6205 -45.6205 -45.6114 -45.6114 -17.6931 -17.6931 -17.6566 -17.6566 -17.5175 -17.5175 -17.5158 -17.5158 -17.4731 -17.4731 -17.4718 -17.4718 -7.7217 -7.7217 -7.7175 -7.7175 -7.6723 -7.6723 -7.6654 -7.6654 -6.9405 -6.9405 -6.8618 -6.8618 -6.8406 -6.8406 -6.7682 -6.7682 -6.7649 -6.7649 -6.7203 -6.7203 -0.2664 -0.2664 4.9938 4.9938 6.6333 6.6333 6.6954 6.6954 7.8100 7.8100 9.0079 9.0079 10.6242 10.6242 10.7228 10.7228 k = 0.2093-0.1208 0.1709 ( 6150 PWs) bands (ev): -45.6204 -45.6204 -45.6115 -45.6115 -17.6927 -17.6927 -17.6573 -17.6573 -17.5174 -17.5174 -17.5155 -17.5155 -17.4731 -17.4731 -17.4718 -17.4718 -7.7217 -7.7217 -7.7172 -7.7172 -7.6726 -7.6726 -7.6652 -7.6652 -6.9385 -6.9385 -6.8640 -6.8640 -6.8413 -6.8413 -6.7683 -6.7683 -6.7632 -6.7632 -6.7205 -6.7205 -0.2167 -0.2167 4.8650 4.8650 6.5612 6.5612 6.6191 6.6191 7.7488 7.7488 8.9567 8.9567 10.7320 10.7320 10.8582 10.8582 k = 0.2209-0.1276 0.1804 ( 6142 PWs) bands (ev): -45.6203 -45.6203 -45.6116 -45.6116 -17.6923 -17.6923 -17.6580 -17.6580 -17.5173 -17.5173 -17.5152 -17.5152 -17.4732 -17.4732 -17.4718 -17.4718 -7.7217 -7.7217 -7.7169 -7.7169 -7.6729 -7.6729 -7.6650 -7.6650 -6.9364 -6.9364 -6.8662 -6.8662 -6.8421 -6.8421 -6.7687 -6.7687 -6.7615 -6.7615 -6.7206 -6.7206 -0.1642 -0.1642 4.7362 4.7362 6.4914 6.4914 6.5455 6.5455 7.6904 7.6904 8.8916 8.8916 10.8393 10.8393 10.9929 10.9929 k = 0.2326-0.1343 0.1899 ( 6142 PWs) bands (ev): -45.6201 -45.6201 -45.6117 -45.6117 -17.6919 -17.6919 -17.6587 -17.6587 -17.5171 -17.5171 -17.5150 -17.5150 -17.4733 -17.4733 -17.4718 -17.4718 -7.7217 -7.7217 -7.7166 -7.7166 -7.6731 -7.6731 -7.6648 -7.6648 -6.9342 -6.9342 -6.8684 -6.8684 -6.8428 -6.8428 -6.7693 -6.7693 -6.7597 -6.7597 -6.7206 -6.7206 -0.1090 -0.1090 4.6075 4.6075 6.4241 6.4241 6.4747 6.4747 7.6349 7.6349 8.8163 8.8163 10.9496 10.9496 11.1268 11.1268 k = 0.2442-0.1410 0.1994 ( 6126 PWs) bands (ev): -45.6200 -45.6200 -45.6119 -45.6119 -17.6915 -17.6915 -17.6594 -17.6594 -17.5170 -17.5170 -17.5147 -17.5147 -17.4734 -17.4734 -17.4718 -17.4718 -7.7217 -7.7217 -7.7163 -7.7163 -7.6734 -7.6734 -7.6646 -7.6646 -6.9320 -6.9320 -6.8705 -6.8705 -6.8435 -6.8435 -6.7701 -6.7701 -6.7578 -6.7578 -6.7205 -6.7205 -0.0512 -0.0512 4.4791 4.4791 6.3593 6.3593 6.4066 6.4066 7.5823 7.5823 8.7344 8.7344 11.0642 11.0642 11.2596 11.2596 k = 0.2558-0.1477 0.2089 ( 6126 PWs) bands (ev): -45.6198 -45.6198 -45.6120 -45.6120 -17.6911 -17.6911 -17.6602 -17.6602 -17.5168 -17.5168 -17.5145 -17.5145 -17.4735 -17.4735 -17.4718 -17.4718 -7.7217 -7.7217 -7.7160 -7.7160 -7.6736 -7.6736 -7.6644 -7.6644 -6.9298 -6.9298 -6.8725 -6.8725 -6.8441 -6.8441 -6.7712 -6.7712 -6.7560 -6.7560 -6.7204 -6.7204 0.0093 0.0093 4.3508 4.3508 6.2971 6.2971 6.3413 6.3413 7.5328 7.5328 8.6482 8.6482 11.1829 11.1829 11.3912 11.3912 k = 0.2674-0.1544 0.2184 ( 6154 PWs) bands (ev): -45.6197 -45.6197 -45.6122 -45.6122 -17.6907 -17.6907 -17.6611 -17.6611 -17.5168 -17.5168 -17.5143 -17.5143 -17.4737 -17.4737 -17.4719 -17.4719 -7.7216 -7.7216 -7.7157 -7.7157 -7.6738 -7.6738 -7.6643 -7.6643 -6.9276 -6.9276 -6.8745 -6.8745 -6.8447 -6.8447 -6.7725 -6.7725 -6.7541 -6.7541 -6.7202 -6.7202 0.0724 0.0724 4.2229 4.2229 6.2375 6.2375 6.2788 6.2788 7.4865 7.4865 8.5600 8.5600 11.3048 11.3048 11.5214 11.5214 k = 0.2791-0.1611 0.2279 ( 6158 PWs) bands (ev): -45.6196 -45.6196 -45.6123 -45.6123 -17.6902 -17.6902 -17.6619 -17.6619 -17.5165 -17.5165 -17.5142 -17.5142 -17.4738 -17.4738 -17.4720 -17.4720 -7.7216 -7.7216 -7.7155 -7.7155 -7.6740 -7.6740 -7.6643 -7.6643 -6.9253 -6.9253 -6.8764 -6.8764 -6.8452 -6.8452 -6.7741 -6.7741 -6.7522 -6.7522 -6.7200 -6.7200 0.1381 0.1381 4.0954 4.0954 6.1807 6.1807 6.2192 6.2192 7.4434 7.4434 8.4710 8.4710 11.4288 11.4288 11.6501 11.6501 k = 0.2907-0.1678 0.2374 ( 6158 PWs) bands (ev): -45.6194 -45.6194 -45.6125 -45.6125 -17.6898 -17.6898 -17.6627 -17.6627 -17.5164 -17.5164 -17.5140 -17.5140 -17.4739 -17.4739 -17.4720 -17.4720 -7.7215 -7.7215 -7.7153 -7.7153 -7.6742 -7.6742 -7.6642 -7.6642 -6.9230 -6.9230 -6.8782 -6.8782 -6.8456 -6.8456 -6.7758 -6.7758 -6.7504 -6.7504 -6.7197 -6.7197 0.2063 0.2063 3.9683 3.9683 6.1266 6.1266 6.1625 6.1625 7.4036 7.4036 8.3825 8.3825 11.5538 11.5538 11.7772 11.7772 k = 0.3023-0.1745 0.2468 ( 6150 PWs) bands (ev): -45.6192 -45.6192 -45.6127 -45.6127 -17.6892 -17.6892 -17.6635 -17.6635 -17.5162 -17.5162 -17.5138 -17.5138 -17.4739 -17.4739 -17.4720 -17.4720 -7.7214 -7.7214 -7.7151 -7.7151 -7.6743 -7.6743 -7.6642 -7.6642 -6.9208 -6.9208 -6.8800 -6.8800 -6.8460 -6.8460 -6.7777 -6.7777 -6.7485 -6.7485 -6.7195 -6.7195 0.2770 0.2770 3.8417 3.8417 6.0753 6.0753 6.1087 6.1087 7.3671 7.3671 8.2952 8.2952 11.6791 11.6791 11.9026 11.9026 k = 0.3140-0.1813 0.2563 ( 6154 PWs) bands (ev): -45.6190 -45.6190 -45.6128 -45.6128 -17.6887 -17.6887 -17.6644 -17.6644 -17.5161 -17.5161 -17.5137 -17.5137 -17.4739 -17.4739 -17.4721 -17.4721 -7.7212 -7.7212 -7.7150 -7.7150 -7.6743 -7.6743 -7.6643 -7.6643 -6.9186 -6.9186 -6.8816 -6.8816 -6.8462 -6.8462 -6.7797 -6.7797 -6.7466 -6.7466 -6.7192 -6.7192 0.3502 0.3502 3.7156 3.7156 6.0268 6.0268 6.0578 6.0578 7.3340 7.3340 8.2098 8.2098 11.8039 11.8039 12.0264 12.0264 k = 0.3256-0.1880 0.2658 ( 6162 PWs) bands (ev): -45.6189 -45.6189 -45.6130 -45.6130 -17.6882 -17.6882 -17.6652 -17.6652 -17.5159 -17.5159 -17.5135 -17.5135 -17.4740 -17.4740 -17.4722 -17.4722 -7.7211 -7.7211 -7.7149 -7.7149 -7.6744 -7.6744 -7.6644 -7.6644 -6.9164 -6.9164 -6.8832 -6.8832 -6.8462 -6.8462 -6.7820 -6.7820 -6.7448 -6.7448 -6.7190 -6.7190 0.4259 0.4259 3.5902 3.5902 5.9812 5.9812 6.0098 6.0098 7.3043 7.3043 8.1267 8.1267 11.9278 11.9278 12.1483 12.1483 k = 0.3372-0.1947 0.2753 ( 6174 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6877 -17.6877 -17.6662 -17.6662 -17.5158 -17.5158 -17.5134 -17.5134 -17.4741 -17.4741 -17.4723 -17.4723 -7.7209 -7.7209 -7.7148 -7.7148 -7.6743 -7.6743 -7.6645 -7.6645 -6.9144 -6.9144 -6.8847 -6.8847 -6.8461 -6.8461 -6.7843 -6.7843 -6.7429 -6.7429 -6.7188 -6.7188 0.5040 0.5040 3.4654 3.4654 5.9384 5.9384 5.9648 5.9648 7.2781 7.2781 8.0464 8.0464 12.0505 12.0505 12.2684 12.2684 k = 0.3488-0.2014 0.2848 ( 6174 PWs) bands (ev): -45.6185 -45.6185 -45.6134 -45.6134 -17.6871 -17.6871 -17.6670 -17.6670 -17.5156 -17.5156 -17.5133 -17.5133 -17.4741 -17.4741 -17.4724 -17.4724 -7.7208 -7.7208 -7.7147 -7.7147 -7.6743 -7.6743 -7.6647 -7.6647 -6.9124 -6.9124 -6.8861 -6.8861 -6.8458 -6.8458 -6.7868 -6.7868 -6.7411 -6.7411 -6.7186 -6.7186 0.5844 0.5844 3.3414 3.3414 5.8986 5.8986 5.9228 5.9228 7.2553 7.2553 7.9691 7.9691 12.1716 12.1716 12.3866 12.3866 k = 0.3605-0.2081 0.2943 ( 6166 PWs) bands (ev): -45.6183 -45.6183 -45.6135 -45.6135 -17.6864 -17.6864 -17.6679 -17.6679 -17.5154 -17.5154 -17.5132 -17.5132 -17.4741 -17.4741 -17.4724 -17.4724 -7.7206 -7.7206 -7.7147 -7.7147 -7.6741 -7.6741 -7.6649 -7.6649 -6.9105 -6.9105 -6.8874 -6.8874 -6.8454 -6.8454 -6.7894 -6.7894 -6.7394 -6.7394 -6.7185 -6.7185 0.6672 0.6672 3.2181 3.2181 5.8616 5.8616 5.8838 5.8838 7.2362 7.2362 7.8950 7.8950 12.2911 12.2911 12.5027 12.5027 k = 0.3721-0.2148 0.3038 ( 6174 PWs) bands (ev): -45.6182 -45.6182 -45.6137 -45.6137 -17.6858 -17.6858 -17.6688 -17.6688 -17.5152 -17.5152 -17.5131 -17.5131 -17.4741 -17.4741 -17.4725 -17.4725 -7.7203 -7.7203 -7.7148 -7.7148 -7.6740 -7.6740 -7.6651 -7.6651 -6.9088 -6.9088 -6.8886 -6.8886 -6.8447 -6.8447 -6.7920 -6.7920 -6.7377 -6.7377 -6.7184 -6.7184 0.7523 0.7523 3.0957 3.0957 5.8277 5.8277 5.8478 5.8478 7.2205 7.2205 7.8243 7.8243 12.4088 12.4088 12.6165 12.6165 k = 0.3837-0.2215 0.3133 ( 6174 PWs) bands (ev): -45.6180 -45.6180 -45.6139 -45.6139 -17.6852 -17.6852 -17.6696 -17.6696 -17.5150 -17.5150 -17.5131 -17.5131 -17.4741 -17.4741 -17.4726 -17.4726 -7.7201 -7.7201 -7.7148 -7.7148 -7.6737 -7.6737 -7.6654 -7.6654 -6.9071 -6.9071 -6.8897 -6.8897 -6.8438 -6.8438 -6.7948 -6.7948 -6.7360 -6.7360 -6.7184 -6.7184 0.8396 0.8396 2.9743 2.9743 5.7967 5.7967 5.8149 5.8149 7.2085 7.2085 7.7571 7.7571 12.5245 12.5245 12.7277 12.7277 k = 0.3953-0.2283 0.3228 ( 6178 PWs) bands (ev): -45.6178 -45.6178 -45.6141 -45.6141 -17.6845 -17.6845 -17.6705 -17.6705 -17.5148 -17.5148 -17.5131 -17.5131 -17.4741 -17.4741 -17.4727 -17.4727 -7.7199 -7.7199 -7.7150 -7.7150 -7.6735 -7.6735 -7.6657 -7.6657 -6.9057 -6.9057 -6.8908 -6.8908 -6.8427 -6.8427 -6.7976 -6.7976 -6.7344 -6.7344 -6.7185 -6.7185 0.9291 0.9291 2.8538 2.8538 5.7687 5.7687 5.7849 5.7849 7.2002 7.2002 7.6935 7.6935 12.6379 12.6379 12.8356 12.8356 k = 0.4070-0.2350 0.3323 ( 6178 PWs) bands (ev): -45.6176 -45.6176 -45.6143 -45.6143 -17.6839 -17.6839 -17.6714 -17.6714 -17.5147 -17.5147 -17.5131 -17.5131 -17.4741 -17.4741 -17.4728 -17.4728 -7.7196 -7.7196 -7.7151 -7.7151 -7.6732 -7.6732 -7.6660 -7.6660 -6.9043 -6.9043 -6.8917 -6.8917 -6.8414 -6.8414 -6.8005 -6.8005 -6.7328 -6.7328 -6.7187 -6.7187 1.0207 1.0207 2.7344 2.7344 5.7436 5.7436 5.7580 5.7580 7.1954 7.1954 7.6337 7.6337 12.7487 12.7487 12.9396 12.9396 k = 0.4186-0.2417 0.3418 ( 6178 PWs) bands (ev): -45.6174 -45.6174 -45.6145 -45.6145 -17.6832 -17.6832 -17.6722 -17.6722 -17.5145 -17.5145 -17.5131 -17.5131 -17.4741 -17.4741 -17.4729 -17.4729 -7.7193 -7.7193 -7.7153 -7.7153 -7.6728 -7.6728 -7.6664 -7.6664 -6.9031 -6.9031 -6.8926 -6.8926 -6.8398 -6.8398 -6.8034 -6.8034 -6.7313 -6.7313 -6.7189 -6.7189 1.1145 1.1145 2.6161 2.6161 5.7216 5.7216 5.7341 5.7341 7.1944 7.1944 7.5776 7.5776 12.8563 12.8563 13.0385 13.0385 k = 0.4302-0.2484 0.3513 ( 6182 PWs) bands (ev): -45.6172 -45.6172 -45.6147 -45.6147 -17.6825 -17.6825 -17.6731 -17.6731 -17.5144 -17.5144 -17.5131 -17.5131 -17.4740 -17.4740 -17.4730 -17.4730 -7.7190 -7.7190 -7.7155 -7.7155 -7.6725 -7.6725 -7.6668 -7.6668 -6.9020 -6.9020 -6.8934 -6.8934 -6.8380 -6.8380 -6.8064 -6.8064 -6.7299 -6.7299 -6.7192 -6.7192 1.2103 1.2103 2.4990 2.4990 5.7027 5.7027 5.7133 5.7133 7.1971 7.1971 7.5253 7.5253 12.9597 12.9597 13.1307 13.1307 k = 0.4419-0.2551 0.3608 ( 6166 PWs) bands (ev): -45.6170 -45.6170 -45.6149 -45.6149 -17.6818 -17.6818 -17.6739 -17.6739 -17.5142 -17.5142 -17.5131 -17.5131 -17.4739 -17.4739 -17.4731 -17.4731 -7.7187 -7.7187 -7.7157 -7.7157 -7.6720 -7.6720 -7.6673 -7.6673 -6.9011 -6.9011 -6.8942 -6.8942 -6.8361 -6.8361 -6.8093 -6.8093 -6.7285 -6.7285 -6.7196 -6.7196 1.3081 1.3081 2.3831 2.3831 5.6867 5.6867 5.6956 5.6956 7.2035 7.2035 7.4768 7.4768 13.0578 13.0578 13.2140 13.2140 k = 0.4535-0.2618 0.3703 ( 6150 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6810 -17.6810 -17.6747 -17.6747 -17.5139 -17.5139 -17.5131 -17.5131 -17.4738 -17.4738 -17.4731 -17.4731 -7.7184 -7.7184 -7.7159 -7.7159 -7.6716 -7.6716 -7.6677 -7.6677 -6.9002 -6.9002 -6.8949 -6.8949 -6.8339 -6.8339 -6.8123 -6.8123 -6.7273 -6.7273 -6.7201 -6.7201 1.4078 1.4078 2.2686 2.2686 5.6738 5.6738 5.6809 5.6809 7.2136 7.2136 7.4321 7.4321 13.1487 13.1487 13.2855 13.2855 k = 0.4651-0.2685 0.3798 ( 6150 PWs) bands (ev): -45.6165 -45.6165 -45.6153 -45.6153 -17.6802 -17.6802 -17.6755 -17.6755 -17.5138 -17.5138 -17.5131 -17.5131 -17.4737 -17.4737 -17.4732 -17.4732 -7.7181 -7.7181 -7.7162 -7.7162 -7.6711 -7.6711 -7.6682 -7.6682 -6.8994 -6.8994 -6.8956 -6.8956 -6.8316 -6.8316 -6.8152 -6.8152 -6.7261 -6.7261 -6.7207 -6.7207 1.5094 1.5094 2.1555 2.1555 5.6640 5.6640 5.6692 5.6692 7.2276 7.2276 7.3914 7.3914 13.2301 13.2301 13.3417 13.3417 k = 0.4767-0.2752 0.3893 ( 6150 PWs) bands (ev): -45.6163 -45.6163 -45.6155 -45.6155 -17.6795 -17.6795 -17.6763 -17.6763 -17.5137 -17.5137 -17.5132 -17.5132 -17.4737 -17.4737 -17.4733 -17.4733 -7.7178 -7.7178 -7.7165 -7.7165 -7.6707 -7.6707 -7.6687 -7.6687 -6.8987 -6.8987 -6.8962 -6.8962 -6.8291 -6.8291 -6.8181 -6.8181 -6.7249 -6.7249 -6.7214 -6.7214 1.6129 1.6129 2.0438 2.0438 5.6572 5.6572 5.6607 5.6607 7.2453 7.2453 7.3545 7.3545 13.2989 13.2989 13.3786 13.3786 k = 0.4884-0.2820 0.3988 ( 6174 PWs) bands (ev): -45.6161 -45.6161 -45.6157 -45.6157 -17.6788 -17.6788 -17.6772 -17.6772 -17.5136 -17.5136 -17.5134 -17.5134 -17.4736 -17.4736 -17.4735 -17.4735 -7.7174 -7.7174 -7.7168 -7.7168 -7.6702 -7.6702 -7.6692 -7.6692 -6.8981 -6.8981 -6.8968 -6.8968 -6.8265 -6.8265 -6.8210 -6.8210 -6.7239 -6.7239 -6.7221 -6.7221 1.7181 1.7181 1.9336 1.9336 5.6535 5.6535 5.6552 5.6552 7.2668 7.2668 7.3214 7.3214 13.3514 13.3514 13.3931 13.3931 k = 0.5000-0.2887 0.4082 ( 6130 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6779 -17.6779 -17.6779 -17.6779 -17.5134 -17.5134 -17.5134 -17.5134 -17.4735 -17.4735 -17.4735 -17.4735 -7.7171 -7.7171 -7.7171 -7.7171 -7.6697 -7.6697 -7.6697 -7.6697 -6.8974 -6.8974 -6.8974 -6.8974 -6.8238 -6.8238 -6.8238 -6.8238 -6.7230 -6.7230 -6.7230 -6.7230 1.8250 1.8250 1.8250 1.8250 5.6528 5.6528 5.6528 5.6528 7.2922 7.2922 7.2922 7.2922 13.3838 13.3838 13.3838 13.3838 k = 0.5000-0.2887 0.4082 ( 6130 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6779 -17.6779 -17.6779 -17.6779 -17.5134 -17.5134 -17.5134 -17.5134 -17.4735 -17.4735 -17.4735 -17.4735 -7.7171 -7.7171 -7.7171 -7.7171 -7.6697 -7.6697 -7.6697 -7.6697 -6.8974 -6.8974 -6.8974 -6.8974 -6.8238 -6.8238 -6.8238 -6.8238 -6.7230 -6.7230 -6.7230 -6.7230 1.8250 1.8250 1.8250 1.8250 5.6528 5.6528 5.6528 5.6528 7.2922 7.2922 7.2922 7.2922 13.3838 13.3838 13.3838 13.3838 k = 0.5000-0.2756 0.4175 ( 6156 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6781 -17.6781 -17.6778 -17.6778 -17.5142 -17.5142 -17.5127 -17.5127 -17.4741 -17.4741 -17.4729 -17.4729 -7.7178 -7.7178 -7.7165 -7.7165 -7.6707 -7.6707 -7.6687 -7.6687 -6.8989 -6.8989 -6.8959 -6.8959 -6.8244 -6.8244 -6.8232 -6.8232 -6.7248 -6.7248 -6.7212 -6.7212 1.8246 1.8246 1.8263 1.8263 5.6405 5.6405 5.6527 5.6527 7.2964 7.2964 7.3076 7.3076 13.3505 13.3505 13.3847 13.3847 k = 0.5000-0.2624 0.4268 ( 6150 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6782 -17.6782 -17.6776 -17.6776 -17.5149 -17.5149 -17.5118 -17.5118 -17.4748 -17.4748 -17.4723 -17.4723 -7.7184 -7.7184 -7.7158 -7.7158 -7.6717 -7.6717 -7.6677 -7.6677 -6.9004 -6.9004 -6.8943 -6.8943 -6.8250 -6.8250 -6.8227 -6.8227 -6.7265 -6.7265 -6.7195 -6.7195 1.8249 1.8249 1.8283 1.8283 5.6167 5.6167 5.6404 5.6404 7.3202 7.3202 7.3419 7.3419 13.2871 13.2871 13.3513 13.3513 k = 0.5000-0.2493 0.4361 ( 6140 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6784 -17.6784 -17.6775 -17.6775 -17.5156 -17.5156 -17.5110 -17.5110 -17.4755 -17.4755 -17.4717 -17.4717 -7.7190 -7.7190 -7.7151 -7.7151 -7.6727 -7.6727 -7.6667 -7.6667 -6.9018 -6.9018 -6.8927 -6.8927 -6.8257 -6.8257 -6.8221 -6.8221 -6.7283 -6.7283 -6.7178 -6.7178 1.8259 1.8259 1.8311 1.8311 5.5829 5.5829 5.6171 5.6171 7.3624 7.3624 7.3935 7.3935 13.1961 13.1961 13.2824 13.2824 k = 0.5000-0.2362 0.4454 ( 6144 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6785 -17.6785 -17.6773 -17.6773 -17.5163 -17.5163 -17.5101 -17.5101 -17.4762 -17.4762 -17.4712 -17.4712 -7.7197 -7.7197 -7.7145 -7.7145 -7.6737 -7.6737 -7.6657 -7.6657 -6.9031 -6.9031 -6.8910 -6.8910 -6.8264 -6.8264 -6.8217 -6.8217 -6.7301 -6.7301 -6.7161 -6.7161 1.8277 1.8277 1.8347 1.8347 5.5410 5.5410 5.5843 5.5843 7.4213 7.4213 7.4606 7.4606 13.0808 13.0808 13.1802 13.1802 k = 0.5000-0.2231 0.4546 ( 6160 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6787 -17.6787 -17.6772 -17.6772 -17.5170 -17.5170 -17.5093 -17.5093 -17.4769 -17.4769 -17.4707 -17.4707 -7.7203 -7.7203 -7.7138 -7.7138 -7.6746 -7.6746 -7.6648 -7.6648 -6.9044 -6.9044 -6.8894 -6.8894 -6.8270 -6.8270 -6.8213 -6.8213 -6.7319 -6.7319 -6.7145 -6.7145 1.8302 1.8302 1.8389 1.8389 5.4931 5.4931 5.5442 5.5442 7.4950 7.4950 7.5411 7.5411 12.9453 12.9453 13.0500 13.0500 k = 0.5000-0.2099 0.4639 ( 6168 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6789 -17.6789 -17.6771 -17.6771 -17.5177 -17.5177 -17.5084 -17.5084 -17.4777 -17.4777 -17.4702 -17.4702 -7.7208 -7.7208 -7.7132 -7.7132 -7.6756 -7.6756 -7.6638 -7.6638 -6.9056 -6.9056 -6.8877 -6.8877 -6.8277 -6.8277 -6.8209 -6.8209 -6.7336 -6.7336 -6.7130 -6.7130 1.8334 1.8334 1.8437 1.8437 5.4411 5.4411 5.4987 5.4987 7.5814 7.5814 7.6332 7.6332 12.7939 12.7939 12.8987 12.8987 k = 0.5000-0.1968 0.4732 ( 6156 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6790 -17.6790 -17.6769 -17.6769 -17.5183 -17.5183 -17.5075 -17.5075 -17.4784 -17.4784 -17.4697 -17.4697 -7.7214 -7.7214 -7.7125 -7.7125 -7.6765 -7.6765 -7.6629 -7.6629 -6.9068 -6.9068 -6.8860 -6.8860 -6.8284 -6.8284 -6.8206 -6.8206 -6.7353 -6.7353 -6.7115 -6.7115 1.8370 1.8370 1.8490 1.8490 5.3868 5.3868 5.4498 5.4498 7.6786 7.6786 7.7351 7.7351 12.6308 12.6308 12.7327 12.7327 k = 0.5000-0.1837 0.4825 ( 6152 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6791 -17.6791 -17.6768 -17.6768 -17.5188 -17.5188 -17.5066 -17.5066 -17.4792 -17.4792 -17.4693 -17.4693 -7.7219 -7.7219 -7.7119 -7.7119 -7.6774 -7.6774 -7.6621 -7.6621 -6.9078 -6.9078 -6.8843 -6.8843 -6.8290 -6.8290 -6.8204 -6.8204 -6.7370 -6.7370 -6.7101 -6.7101 1.8412 1.8412 1.8548 1.8548 5.3314 5.3314 5.3990 5.3990 7.7852 7.7852 7.8456 7.8456 12.4592 12.4592 12.5569 12.5569 k = 0.5000-0.1706 0.4918 ( 6162 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6792 -17.6792 -17.6767 -17.6767 -17.5194 -17.5194 -17.5057 -17.5057 -17.4800 -17.4800 -17.4689 -17.4689 -7.7224 -7.7224 -7.7113 -7.7113 -7.6782 -7.6782 -7.6612 -7.6612 -6.9089 -6.9089 -6.8826 -6.8826 -6.8297 -6.8297 -6.8202 -6.8202 -6.7385 -6.7385 -6.7087 -6.7087 1.8458 1.8458 1.8610 1.8610 5.2762 5.2762 5.3478 5.3478 7.8998 7.8998 7.9636 7.9636 12.2818 12.2818 12.3748 12.3748 k = 0.5000-0.1575 0.5010 ( 6158 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6793 -17.6793 -17.6766 -17.6766 -17.5199 -17.5199 -17.5048 -17.5048 -17.4808 -17.4808 -17.4685 -17.4685 -7.7229 -7.7229 -7.7107 -7.7107 -7.6790 -7.6790 -7.6605 -7.6605 -6.9098 -6.9098 -6.8810 -6.8810 -6.8303 -6.8303 -6.8201 -6.8201 -6.7401 -6.7401 -6.7075 -6.7075 1.8507 1.8507 1.8675 1.8675 5.2221 5.2221 5.2971 5.2971 8.0213 8.0213 8.0880 8.0880 12.1005 12.1005 12.1888 12.1888 k = 0.5000-0.1443 0.5103 ( 6150 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6794 -17.6794 -17.6765 -17.6765 -17.5203 -17.5203 -17.5038 -17.5038 -17.4816 -17.4816 -17.4681 -17.4681 -7.7234 -7.7234 -7.7102 -7.7102 -7.6798 -7.6798 -7.6597 -7.6597 -6.9107 -6.9107 -6.8794 -6.8794 -6.8308 -6.8308 -6.8200 -6.8200 -6.7415 -6.7415 -6.7063 -6.7063 1.8558 1.8558 1.8740 1.8740 5.1701 5.1701 5.2479 5.2479 8.1488 8.1488 8.2182 8.2182 11.9170 11.9170 12.0007 12.0007 k = 0.5000-0.1312 0.5196 ( 6158 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6796 -17.6796 -17.6764 -17.6764 -17.5208 -17.5208 -17.5029 -17.5029 -17.4824 -17.4824 -17.4678 -17.4678 -7.7238 -7.7238 -7.7097 -7.7097 -7.6806 -7.6806 -7.6590 -7.6590 -6.9115 -6.9115 -6.8778 -6.8778 -6.8314 -6.8314 -6.8200 -6.8200 -6.7428 -6.7428 -6.7052 -6.7052 1.8610 1.8610 1.8806 1.8806 5.1207 5.1207 5.2010 5.2010 8.2815 8.2815 8.3536 8.3536 11.7325 11.7325 11.8118 11.8118 k = 0.5000-0.1181 0.5289 ( 6154 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6796 -17.6796 -17.6763 -17.6763 -17.5211 -17.5211 -17.5020 -17.5020 -17.4833 -17.4833 -17.4675 -17.4675 -7.7241 -7.7241 -7.7092 -7.7092 -7.6812 -7.6812 -7.6584 -7.6584 -6.9122 -6.9122 -6.8763 -6.8763 -6.8319 -6.8319 -6.8200 -6.8200 -6.7441 -6.7441 -6.7042 -6.7042 1.8661 1.8661 1.8872 1.8872 5.0745 5.0745 5.1569 5.1569 8.4189 8.4189 8.4935 8.4935 11.5478 11.5478 11.6228 11.6228 k = 0.5000-0.1050 0.5381 ( 6156 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6797 -17.6797 -17.6762 -17.6762 -17.5215 -17.5215 -17.5011 -17.5011 -17.4841 -17.4841 -17.4673 -17.4673 -7.7245 -7.7245 -7.7087 -7.7087 -7.6819 -7.6819 -7.6578 -7.6578 -6.9128 -6.9128 -6.8749 -6.8749 -6.8324 -6.8324 -6.8201 -6.8201 -6.7452 -6.7452 -6.7033 -6.7033 1.8711 1.8711 1.8934 1.8934 5.0320 5.0320 5.1163 5.1163 8.5602 8.5602 8.6375 8.6375 11.3639 11.3639 11.4346 11.4346 k = 0.5000-0.0919 0.5474 ( 6156 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6798 -17.6798 -17.6761 -17.6761 -17.5218 -17.5218 -17.5002 -17.5002 -17.4849 -17.4849 -17.4670 -17.4670 -7.7248 -7.7248 -7.7083 -7.7083 -7.6824 -7.6824 -7.6573 -7.6573 -6.9134 -6.9134 -6.8736 -6.8736 -6.8328 -6.8328 -6.8202 -6.8202 -6.7462 -6.7462 -6.7025 -6.7025 1.8759 1.8759 1.8993 1.8993 4.9935 4.9935 5.0795 5.0795 8.7049 8.7049 8.7852 8.7852 11.1814 11.1814 11.2478 11.2478 k = 0.5000-0.0787 0.5567 ( 6146 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6798 -17.6798 -17.6760 -17.6760 -17.5220 -17.5220 -17.4993 -17.4993 -17.4858 -17.4858 -17.4668 -17.4668 -7.7251 -7.7251 -7.7079 -7.7079 -7.6829 -7.6829 -7.6569 -7.6569 -6.9139 -6.9139 -6.8724 -6.8724 -6.8332 -6.8332 -6.8204 -6.8204 -6.7471 -6.7471 -6.7018 -6.7018 1.8803 1.8803 1.9048 1.9048 4.9596 4.9596 5.0470 5.0470 8.8521 8.8521 8.9359 8.9359 11.0013 11.0013 11.0630 11.0630 k = 0.5000-0.0656 0.5660 ( 6150 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6799 -17.6799 -17.6760 -17.6760 -17.5223 -17.5223 -17.4984 -17.4984 -17.4866 -17.4866 -17.4666 -17.4666 -7.7253 -7.7253 -7.7076 -7.7076 -7.6834 -7.6834 -7.6565 -7.6565 -6.9143 -6.9143 -6.8714 -6.8714 -6.8335 -6.8335 -6.8205 -6.8205 -6.7479 -6.7479 -6.7012 -6.7012 1.8842 1.8842 1.9096 1.9096 4.9303 4.9303 5.0189 5.0189 9.0009 9.0009 9.0891 9.0891 10.8246 10.8246 10.8810 10.8810 k = 0.5000-0.0525 0.5753 ( 6146 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6800 -17.6800 -17.6759 -17.6759 -17.5225 -17.5225 -17.4976 -17.4976 -17.4873 -17.4873 -17.4665 -17.4665 -7.7255 -7.7255 -7.7073 -7.7073 -7.6837 -7.6837 -7.6562 -7.6562 -6.9147 -6.9147 -6.8705 -6.8705 -6.8338 -6.8338 -6.8207 -6.8207 -6.7485 -6.7485 -6.7007 -6.7007 1.8876 1.8876 1.9137 1.9137 4.9060 4.9060 4.9956 4.9956 9.1496 9.1496 9.2436 9.2436 10.6531 10.6531 10.7028 10.7028 k = 0.5000-0.0394 0.5845 ( 6158 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6800 -17.6800 -17.6759 -17.6759 -17.5226 -17.5226 -17.4969 -17.4969 -17.4880 -17.4880 -17.4664 -17.4664 -7.7256 -7.7256 -7.7071 -7.7071 -7.6840 -7.6840 -7.6559 -7.6559 -6.9149 -6.9149 -6.8698 -6.8698 -6.8340 -6.8340 -6.8208 -6.8208 -6.7490 -6.7490 -6.7004 -6.7004 1.8903 1.8903 1.9170 1.9170 4.8870 4.8870 4.9773 4.9773 9.2952 9.2952 9.3974 9.3974 10.4897 10.4897 10.5306 10.5306 k = 0.5000-0.0262 0.5938 ( 6154 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6800 -17.6800 -17.6759 -17.6759 -17.5227 -17.5227 -17.4963 -17.4963 -17.4886 -17.4886 -17.4663 -17.4663 -7.7257 -7.7257 -7.7070 -7.7070 -7.6842 -7.6842 -7.6557 -7.6557 -6.9151 -6.9151 -6.8693 -6.8693 -6.8341 -6.8341 -6.8209 -6.8209 -6.7493 -6.7493 -6.7001 -6.7001 1.8922 1.8922 1.9194 1.9194 4.8732 4.8732 4.9641 4.9641 9.4308 9.4308 9.5457 9.5457 10.3414 10.3414 10.3691 10.3691 k = 0.5000-0.0131 0.6031 ( 6162 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6801 -17.6801 -17.6759 -17.6759 -17.5228 -17.5228 -17.4959 -17.4959 -17.4890 -17.4890 -17.4663 -17.4663 -7.7258 -7.7258 -7.7069 -7.7069 -7.6843 -7.6843 -7.6556 -7.6556 -6.9152 -6.9152 -6.8690 -6.8690 -6.8342 -6.8342 -6.8210 -6.8210 -6.7496 -6.7496 -6.6999 -6.6999 1.8934 1.8934 1.9209 1.9209 4.8649 4.8649 4.9561 4.9561 9.5396 9.5396 9.6734 9.6734 10.2250 10.2250 10.2335 10.2335 k = 0.5000-0.0000 0.6124 ( 6180 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4958 -17.4958 -17.4892 -17.4892 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8689 -6.8689 -6.8343 -6.8343 -6.8210 -6.8210 -6.7496 -6.7496 -6.6999 -6.6999 1.8938 1.8938 1.9214 1.9214 4.8622 4.8622 4.9534 4.9534 9.5853 9.5853 9.7329 9.7329 10.1713 10.1713 10.1767 10.1767 k = 0.5000-0.0000 0.6124 ( 6180 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4958 -17.4958 -17.4892 -17.4892 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8689 -6.8689 -6.8343 -6.8343 -6.8210 -6.8210 -6.7496 -6.7496 -6.6999 -6.6999 1.8938 1.8938 1.9214 1.9214 4.8622 4.8622 4.9534 4.9534 9.5853 9.5853 9.7329 9.7329 10.1713 10.1713 10.1767 10.1767 k = 0.4922 0.0135 0.6124 ( 6171 PWs) bands (ev): -45.6160 -45.6160 -45.6158 -45.6158 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4959 -17.4959 -17.4891 -17.4891 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8690 -6.8690 -6.8343 -6.8343 -6.8209 -6.8209 -6.7496 -6.7496 -6.6999 -6.6999 1.8631 1.8631 1.9515 1.9515 4.8499 4.8499 4.9708 4.9708 9.5397 9.5397 9.7215 9.7215 10.1825 10.1825 10.2273 10.2273 k = 0.4844 0.0271 0.6124 ( 6143 PWs) bands (ev): -45.6161 -45.6161 -45.6157 -45.6157 -17.6801 -17.6801 -17.6757 -17.6757 -17.5228 -17.5228 -17.4960 -17.4960 -17.4889 -17.4889 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6556 -7.6556 -6.9152 -6.9152 -6.8692 -6.8692 -6.8345 -6.8345 -6.8206 -6.8206 -6.7495 -6.7495 -6.7000 -6.7000 1.8245 1.8245 1.9883 1.9883 4.8238 4.8238 5.0117 5.0117 9.4116 9.4116 9.7143 9.7143 10.2551 10.2551 10.3042 10.3042 k = 0.4766 0.0406 0.6124 ( 6151 PWs) bands (ev): -45.6162 -45.6162 -45.6157 -45.6157 -17.6803 -17.6803 -17.6756 -17.6756 -17.5228 -17.5228 -17.4962 -17.4962 -17.4886 -17.4886 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6557 -7.6557 -6.9151 -6.9151 -6.8695 -6.8695 -6.8346 -6.8346 -6.8201 -6.8201 -6.7493 -6.7493 -6.7003 -6.7003 1.7880 1.7880 2.0218 2.0218 4.7948 4.7948 5.0653 5.0653 9.2483 9.2483 9.7077 9.7077 10.3532 10.3532 10.4002 10.4002 k = 0.4688 0.0541 0.6124 ( 6147 PWs) bands (ev): -45.6163 -45.6163 -45.6156 -45.6156 -17.6804 -17.6804 -17.6755 -17.6755 -17.5227 -17.5227 -17.4966 -17.4966 -17.4883 -17.4883 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6558 -7.6558 -6.9150 -6.9150 -6.8700 -6.8700 -6.8348 -6.8348 -6.8196 -6.8196 -6.7490 -6.7490 -6.7005 -6.7005 1.7540 1.7540 2.0517 2.0517 4.7662 4.7662 5.1279 5.1279 9.0743 9.0743 9.6975 9.6975 10.4621 10.4621 10.5094 10.5094 k = 0.4609 0.0677 0.6124 ( 6147 PWs) bands (ev): -45.6164 -45.6164 -45.6155 -45.6155 -17.6805 -17.6805 -17.6753 -17.6753 -17.5226 -17.5226 -17.4969 -17.4969 -17.4880 -17.4880 -17.4664 -17.4664 -7.7257 -7.7257 -7.7068 -7.7068 -7.6842 -7.6842 -7.6559 -7.6559 -6.9148 -6.9148 -6.8705 -6.8705 -6.8350 -6.8350 -6.8190 -6.8190 -6.7487 -6.7487 -6.7009 -6.7009 1.7227 1.7227 2.0781 2.0781 4.7391 4.7391 5.1978 5.1978 8.8980 8.8980 9.6846 9.6846 10.5771 10.5771 10.6273 10.6273 k = 0.4531 0.0812 0.6124 ( 6153 PWs) bands (ev): -45.6164 -45.6164 -45.6154 -45.6154 -17.6807 -17.6807 -17.6752 -17.6752 -17.5226 -17.5226 -17.4973 -17.4973 -17.4876 -17.4876 -17.4664 -17.4664 -7.7257 -7.7257 -7.7068 -7.7068 -7.6842 -7.6842 -7.6560 -7.6560 -6.9146 -6.9146 -6.8711 -6.8711 -6.8352 -6.8352 -6.8184 -6.8184 -6.7483 -6.7483 -6.7013 -6.7013 1.6940 1.6940 2.1011 2.1011 4.7139 4.7139 5.2739 5.2739 8.7235 8.7235 9.6704 9.6704 10.6963 10.6963 10.7508 10.7508 k = 0.4453 0.0947 0.6124 ( 6146 PWs) bands (ev): -45.6165 -45.6165 -45.6154 -45.6154 -17.6808 -17.6808 -17.6750 -17.6750 -17.5225 -17.5225 -17.4977 -17.4977 -17.4872 -17.4872 -17.4665 -17.4665 -7.7257 -7.7257 -7.7067 -7.7067 -7.6841 -7.6841 -7.6561 -7.6561 -6.9144 -6.9144 -6.8718 -6.8718 -6.8354 -6.8354 -6.8178 -6.8178 -6.7479 -6.7479 -6.7017 -6.7017 1.6681 1.6681 2.1209 2.1209 4.6907 4.6907 5.3552 5.3552 8.5527 8.5527 9.6559 9.6559 10.8184 10.8184 10.8778 10.8778 k = 0.4375 0.1083 0.6124 ( 6147 PWs) bands (ev): -45.6165 -45.6165 -45.6153 -45.6153 -17.6809 -17.6809 -17.6748 -17.6748 -17.5225 -17.5225 -17.4980 -17.4980 -17.4869 -17.4869 -17.4665 -17.4665 -7.7257 -7.7257 -7.7067 -7.7067 -7.6841 -7.6841 -7.6563 -7.6563 -6.9142 -6.9142 -6.8724 -6.8724 -6.8355 -6.8355 -6.8173 -6.8173 -6.7474 -6.7474 -6.7021 -6.7021 1.6448 1.6448 2.1377 2.1377 4.6699 4.6699 5.4405 5.4405 8.3875 8.3875 9.6419 9.6419 10.9421 10.9421 11.0073 11.0073 k = 0.4297 0.1218 0.6124 ( 6155 PWs) bands (ev): -45.6166 -45.6166 -45.6153 -45.6153 -17.6811 -17.6811 -17.6747 -17.6747 -17.5224 -17.5224 -17.4984 -17.4984 -17.4866 -17.4866 -17.4666 -17.4666 -7.7257 -7.7257 -7.7067 -7.7067 -7.6840 -7.6840 -7.6564 -7.6564 -6.9140 -6.9140 -6.8731 -6.8731 -6.8356 -6.8356 -6.8168 -6.8168 -6.7470 -6.7470 -6.7026 -6.7026 1.6243 1.6243 2.1519 2.1519 4.6513 4.6513 5.5281 5.5281 8.2295 8.2295 9.6289 9.6289 11.0661 11.0661 11.1384 11.1384 k = 0.4219 0.1353 0.6124 ( 6153 PWs) bands (ev): -45.6166 -45.6166 -45.6152 -45.6152 -17.6812 -17.6812 -17.6746 -17.6746 -17.5223 -17.5223 -17.4987 -17.4987 -17.4863 -17.4863 -17.4667 -17.4667 -7.7256 -7.7256 -7.7066 -7.7066 -7.6840 -7.6840 -7.6565 -7.6565 -6.9138 -6.9138 -6.8737 -6.8737 -6.8357 -6.8357 -6.8163 -6.8163 -6.7465 -6.7465 -6.7031 -6.7031 1.6065 1.6065 2.1636 2.1636 4.6351 4.6351 5.6162 5.6162 8.0806 8.0806 9.6171 9.6171 11.1888 11.1888 11.2699 11.2699 k = 0.4141 0.1488 0.6124 ( 6159 PWs) bands (ev): -45.6167 -45.6167 -45.6152 -45.6152 -17.6813 -17.6813 -17.6745 -17.6745 -17.5223 -17.5223 -17.4990 -17.4990 -17.4861 -17.4861 -17.4667 -17.4667 -7.7256 -7.7256 -7.7066 -7.7066 -7.6840 -7.6840 -7.6566 -7.6566 -6.9136 -6.9136 -6.8742 -6.8742 -6.8357 -6.8357 -6.8159 -6.8159 -6.7461 -6.7461 -6.7035 -6.7035 1.5915 1.5915 2.1731 2.1731 4.6214 4.6214 5.7023 5.7023 7.9433 7.9433 9.6068 9.6068 11.3080 11.3080 11.4006 11.4006 k = 0.4062 0.1624 0.6124 ( 6155 PWs) bands (ev): -45.6167 -45.6167 -45.6152 -45.6152 -17.6814 -17.6814 -17.6744 -17.6744 -17.5222 -17.5222 -17.4992 -17.4992 -17.4859 -17.4859 -17.4668 -17.4668 -7.7256 -7.7256 -7.7066 -7.7066 -7.6839 -7.6839 -7.6567 -7.6567 -6.9135 -6.9135 -6.8747 -6.8747 -6.8358 -6.8358 -6.8156 -6.8156 -6.7457 -6.7457 -6.7038 -6.7038 1.5792 1.5792 2.1805 2.1805 4.6101 4.6101 5.7831 5.7831 7.8208 7.8208 9.5982 9.5982 11.4207 11.4207 11.5284 11.5284 k = 0.3984 0.1759 0.6124 ( 6165 PWs) bands (ev): -45.6167 -45.6167 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4994 -17.4994 -17.4857 -17.4857 -17.4668 -17.4668 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6568 -7.6568 -6.9133 -6.9133 -6.8751 -6.8751 -6.8358 -6.8358 -6.8154 -6.8154 -6.7453 -6.7453 -6.7042 -6.7042 1.5696 1.5696 2.1862 2.1862 4.6013 4.6013 5.8545 5.8545 7.7170 7.7170 9.5915 9.5915 11.5223 11.5223 11.6495 11.6495 k = 0.3906 0.1894 0.6124 ( 6159 PWs) bands (ev): -45.6167 -45.6167 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4995 -17.4995 -17.4856 -17.4856 -17.4668 -17.4668 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9132 -6.9132 -6.8753 -6.8753 -6.8358 -6.8358 -6.8152 -6.8152 -6.7451 -6.7451 -6.7044 -6.7044 1.5627 1.5627 2.1901 2.1901 4.5950 4.5950 5.9115 5.9115 7.6370 7.6370 9.5866 9.5866 11.6059 11.6059 11.7565 11.7565 k = 0.3828 0.2030 0.6124 ( 6165 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9132 -6.9132 -6.8755 -6.8755 -6.8358 -6.8358 -6.8151 -6.8151 -6.7449 -6.7449 -6.7045 -6.7045 1.5586 1.5586 2.1924 2.1924 4.5912 4.5912 5.9486 5.9486 7.5861 7.5861 9.5836 9.5836 11.6625 11.6625 11.8353 11.8353 k = 0.3750 0.2165 0.6124 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.3750 0.2165 0.6124 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.3668 0.2118 0.5991 ( 6163 PWs) bands (ev): -45.6169 -45.6169 -45.6150 -45.6150 -17.6819 -17.6819 -17.6738 -17.6738 -17.5225 -17.5225 -17.4987 -17.4987 -17.4864 -17.4864 -17.4667 -17.4667 -7.7259 -7.7259 -7.7058 -7.7058 -7.6846 -7.6846 -7.6565 -7.6565 -6.9135 -6.9135 -6.8751 -6.8751 -6.8365 -6.8365 -6.8141 -6.8141 -6.7455 -6.7455 -6.7044 -6.7044 1.5116 1.5116 2.2427 2.2427 4.5533 4.5533 6.0018 6.0018 7.6039 7.6039 9.7865 9.7865 11.5657 11.5657 11.7441 11.7441 k = 0.3587 0.2071 0.5857 ( 6167 PWs) bands (ev): -45.6170 -45.6170 -45.6149 -45.6149 -17.6823 -17.6823 -17.6734 -17.6734 -17.5227 -17.5227 -17.4978 -17.4978 -17.4872 -17.4872 -17.4665 -17.4665 -7.7262 -7.7262 -7.7052 -7.7052 -7.6853 -7.6853 -7.6561 -7.6561 -6.9139 -6.9139 -6.8748 -6.8748 -6.8372 -6.8372 -6.8130 -6.8130 -6.7460 -6.7460 -6.7043 -6.7043 1.4619 1.4619 2.2954 2.2954 4.5254 4.5254 6.0442 6.0442 7.6407 7.6407 9.9894 9.9894 11.4520 11.4520 11.6243 11.6243 k = 0.3505 0.2024 0.5724 ( 6161 PWs) bands (ev): -45.6171 -45.6171 -45.6148 -45.6148 -17.6826 -17.6826 -17.6730 -17.6730 -17.5229 -17.5229 -17.4969 -17.4969 -17.4880 -17.4880 -17.4664 -17.4664 -7.7265 -7.7265 -7.7046 -7.7046 -7.6859 -7.6859 -7.6558 -7.6558 -6.9141 -6.9141 -6.8748 -6.8748 -6.8377 -6.8377 -6.8118 -6.8118 -6.7464 -6.7464 -6.7044 -6.7044 1.4082 1.4082 2.3512 2.3512 4.5065 4.5065 6.0889 6.0889 7.6790 7.6790 10.1889 10.1889 11.3423 11.3423 11.5064 11.5064 k = 0.3424 0.1977 0.5591 ( 6149 PWs) bands (ev): -45.6172 -45.6172 -45.6146 -45.6146 -17.6830 -17.6830 -17.6724 -17.6724 -17.5231 -17.5231 -17.4961 -17.4961 -17.4888 -17.4888 -17.4662 -17.4662 -7.7267 -7.7267 -7.7040 -7.7040 -7.6865 -7.6865 -7.6555 -7.6555 -6.9143 -6.9143 -6.8750 -6.8750 -6.8383 -6.8383 -6.8105 -6.8105 -6.7467 -6.7467 -6.7046 -6.7046 1.3509 1.3509 2.4101 2.4101 4.4962 4.4962 6.1357 6.1357 7.7186 7.7186 10.3808 10.3808 11.2373 11.2373 11.3906 11.3906 k = 0.3342 0.1930 0.5458 ( 6135 PWs) bands (ev): -45.6173 -45.6173 -45.6145 -45.6145 -17.6834 -17.6834 -17.6719 -17.6719 -17.5233 -17.5233 -17.4954 -17.4954 -17.4894 -17.4894 -17.4661 -17.4661 -7.7269 -7.7269 -7.7035 -7.7035 -7.6870 -7.6870 -7.6553 -7.6553 -6.9145 -6.9145 -6.8754 -6.8754 -6.8387 -6.8387 -6.8090 -6.8090 -6.7469 -6.7469 -6.7050 -6.7050 1.2902 1.2902 2.4721 2.4721 4.4945 4.4945 6.1846 6.1846 7.7592 7.7592 10.5583 10.5583 11.1389 11.1389 11.2771 11.2771 k = 0.3261 0.1883 0.5325 ( 6147 PWs) bands (ev): -45.6174 -45.6174 -45.6144 -45.6144 -17.6838 -17.6838 -17.6714 -17.6714 -17.5234 -17.5234 -17.4950 -17.4950 -17.4899 -17.4899 -17.4660 -17.4660 -7.7271 -7.7271 -7.7031 -7.7031 -7.6874 -7.6874 -7.6552 -7.6552 -6.9147 -6.9147 -6.8760 -6.8760 -6.8391 -6.8391 -6.8075 -6.8075 -6.7470 -6.7470 -6.7055 -6.7055 1.2265 1.2265 2.5373 2.5373 4.5011 4.5011 6.2354 6.2354 7.8006 7.8006 10.7072 10.7072 11.0524 11.0524 11.1660 11.1660 k = 0.3179 0.1836 0.5192 ( 6167 PWs) bands (ev): -45.6176 -45.6176 -45.6143 -45.6143 -17.6843 -17.6843 -17.6710 -17.6710 -17.5236 -17.5236 -17.4948 -17.4948 -17.4901 -17.4901 -17.4660 -17.4660 -7.7273 -7.7273 -7.7028 -7.7028 -7.6877 -7.6877 -7.6551 -7.6551 -6.9148 -6.9148 -6.8766 -6.8766 -6.8394 -6.8394 -6.8058 -6.8058 -6.7470 -6.7470 -6.7061 -6.7061 1.1603 1.1603 2.6055 2.6055 4.5156 4.5156 6.2881 6.2881 7.8426 7.8426 10.7933 10.7933 10.9990 10.9990 11.0576 11.0576 k = 0.3098 0.1789 0.5059 ( 6165 PWs) bands (ev): -45.6177 -45.6177 -45.6141 -45.6141 -17.6847 -17.6847 -17.6704 -17.6704 -17.5236 -17.5236 -17.4951 -17.4951 -17.4899 -17.4899 -17.4660 -17.4660 -7.7274 -7.7274 -7.7025 -7.7025 -7.6879 -7.6879 -7.6551 -7.6551 -6.9149 -6.9149 -6.8774 -6.8774 -6.8397 -6.8397 -6.8040 -6.8040 -6.7470 -6.7470 -6.7069 -6.7069 1.0918 1.0918 2.6769 2.6769 4.5377 4.5377 6.3427 6.3427 7.8849 7.8849 10.7769 10.7769 10.9520 10.9520 11.0047 11.0047 k = 0.3016 0.1741 0.4926 ( 6167 PWs) bands (ev): -45.6179 -45.6179 -45.6140 -45.6140 -17.6851 -17.6851 -17.6698 -17.6698 -17.5237 -17.5237 -17.4956 -17.4956 -17.4895 -17.4895 -17.4661 -17.4661 -7.7274 -7.7274 -7.7025 -7.7025 -7.6879 -7.6879 -7.6552 -7.6552 -6.9151 -6.9151 -6.8782 -6.8782 -6.8400 -6.8400 -6.8021 -6.8021 -6.7469 -6.7469 -6.7077 -6.7077 1.0217 1.0217 2.7513 2.7513 4.5671 4.5671 6.3989 6.3989 7.9271 7.9271 10.7097 10.7097 10.8500 10.8500 11.0120 11.0120 k = 0.2935 0.1694 0.4792 ( 6161 PWs) bands (ev): -45.6180 -45.6180 -45.6139 -45.6139 -17.6855 -17.6855 -17.6692 -17.6692 -17.5237 -17.5237 -17.4963 -17.4963 -17.4888 -17.4888 -17.4661 -17.4661 -7.7275 -7.7275 -7.7025 -7.7025 -7.6878 -7.6878 -7.6553 -7.6553 -6.9153 -6.9153 -6.8790 -6.8790 -6.8403 -6.8403 -6.8002 -6.8002 -6.7468 -6.7468 -6.7087 -6.7087 0.9502 0.9502 2.8288 2.8288 4.6033 4.6033 6.4567 6.4567 7.9690 7.9690 10.6325 10.6325 10.7520 10.7520 10.9883 10.9883 k = 0.2853 0.1647 0.4659 ( 6149 PWs) bands (ev): -45.6181 -45.6181 -45.6137 -45.6137 -17.6860 -17.6860 -17.6686 -17.6686 -17.5237 -17.5237 -17.4970 -17.4970 -17.4880 -17.4880 -17.4661 -17.4661 -7.7275 -7.7275 -7.7027 -7.7027 -7.6876 -7.6876 -7.6555 -7.6555 -6.9156 -6.9156 -6.8797 -6.8797 -6.8405 -6.8405 -6.7982 -6.7982 -6.7466 -6.7466 -6.7098 -6.7098 0.8778 0.8778 2.9094 2.9094 4.6460 4.6460 6.5160 6.5160 8.0099 8.0099 10.5538 10.5538 10.6594 10.6594 10.9388 10.9388 k = 0.2772 0.1600 0.4526 ( 6151 PWs) bands (ev): -45.6183 -45.6183 -45.6136 -45.6136 -17.6864 -17.6864 -17.6680 -17.6680 -17.5236 -17.5236 -17.4979 -17.4979 -17.4873 -17.4873 -17.4661 -17.4661 -7.7274 -7.7274 -7.7030 -7.7030 -7.6872 -7.6872 -7.6557 -7.6557 -6.9160 -6.9160 -6.8803 -6.8803 -6.8407 -6.8407 -6.7962 -6.7962 -6.7464 -6.7464 -6.7109 -6.7109 0.8048 0.8048 2.9931 2.9931 4.6948 4.6948 6.5766 6.5766 8.0496 8.0496 10.4744 10.4744 10.5741 10.5741 10.8729 10.8729 k = 0.2690 0.1553 0.4393 ( 6159 PWs) bands (ev): -45.6184 -45.6184 -45.6134 -45.6134 -17.6869 -17.6869 -17.6673 -17.6673 -17.5236 -17.5236 -17.4988 -17.4988 -17.4865 -17.4865 -17.4663 -17.4663 -7.7274 -7.7274 -7.7034 -7.7034 -7.6867 -7.6867 -7.6559 -7.6559 -6.9166 -6.9166 -6.8808 -6.8808 -6.8409 -6.8409 -6.7942 -6.7942 -6.7462 -6.7462 -6.7122 -6.7122 0.7316 0.7316 3.0798 3.0798 4.7495 4.7495 6.6384 6.6384 8.0876 8.0876 10.3936 10.3936 10.4981 10.4981 10.7979 10.7979 k = 0.2609 0.1506 0.4260 ( 6157 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6873 -17.6873 -17.6667 -17.6667 -17.5235 -17.5235 -17.4997 -17.4997 -17.4857 -17.4857 -17.4664 -17.4664 -7.7273 -7.7273 -7.7039 -7.7039 -7.6861 -7.6861 -7.6562 -7.6562 -6.9173 -6.9173 -6.8810 -6.8810 -6.8411 -6.8411 -6.7923 -6.7923 -6.7461 -6.7461 -6.7134 -6.7134 0.6586 0.6586 3.1696 3.1696 4.8097 4.8097 6.7013 6.7013 8.1232 8.1232 10.3110 10.3110 10.4324 10.4324 10.7181 10.7181 k = 0.2527 0.1459 0.4127 ( 6157 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6877 -17.6877 -17.6660 -17.6660 -17.5234 -17.5234 -17.5006 -17.5006 -17.4850 -17.4850 -17.4665 -17.4665 -7.7272 -7.7272 -7.7045 -7.7045 -7.6854 -7.6854 -7.6566 -7.6566 -6.9181 -6.9181 -6.8810 -6.8810 -6.8413 -6.8413 -6.7903 -6.7903 -6.7459 -6.7459 -6.7148 -6.7148 0.5859 0.5859 3.2624 3.2624 4.8751 4.8751 6.7649 6.7649 8.1560 8.1560 10.2275 10.2275 10.3764 10.3764 10.6365 10.6365 k = 0.2446 0.1412 0.3994 ( 6157 PWs) bands (ev): -45.6189 -45.6189 -45.6130 -45.6130 -17.6882 -17.6882 -17.6653 -17.6653 -17.5233 -17.5233 -17.5015 -17.5015 -17.4842 -17.4842 -17.4667 -17.4667 -7.7270 -7.7270 -7.7052 -7.7052 -7.6847 -7.6847 -7.6570 -7.6570 -6.9192 -6.9192 -6.8808 -6.8808 -6.8414 -6.8414 -6.7884 -6.7884 -6.7458 -6.7458 -6.7161 -6.7161 0.5140 0.5140 3.3581 3.3581 4.9456 4.9456 6.8292 6.8292 8.1855 8.1855 10.1443 10.1443 10.3288 10.3288 10.5556 10.5556 k = 0.2364 0.1365 0.3861 ( 6161 PWs) bands (ev): -45.6190 -45.6190 -45.6129 -45.6129 -17.6886 -17.6886 -17.6647 -17.6647 -17.5231 -17.5231 -17.5024 -17.5024 -17.4834 -17.4834 -17.4668 -17.4668 -7.7269 -7.7269 -7.7059 -7.7059 -7.6839 -7.6839 -7.6574 -7.6574 -6.9204 -6.9204 -6.8804 -6.8804 -6.8415 -6.8415 -6.7866 -6.7866 -6.7457 -6.7457 -6.7174 -6.7174 0.4429 0.4429 3.4569 3.4569 5.0207 5.0207 6.8940 6.8940 8.2111 8.2111 10.0623 10.0623 10.2877 10.2877 10.4779 10.4779 k = 0.2283 0.1318 0.3727 ( 6155 PWs) bands (ev): -45.6192 -45.6192 -45.6127 -45.6127 -17.6891 -17.6891 -17.6639 -17.6639 -17.5230 -17.5230 -17.5033 -17.5033 -17.4827 -17.4827 -17.4670 -17.4670 -7.7267 -7.7267 -7.7066 -7.7066 -7.6831 -7.6831 -7.6578 -7.6578 -6.9218 -6.9218 -6.8797 -6.8797 -6.8415 -6.8415 -6.7849 -6.7849 -6.7458 -6.7458 -6.7186 -6.7186 0.3731 0.3731 3.5586 3.5586 5.1003 5.1003 6.9590 6.9590 8.2325 8.2325 9.9820 9.9820 10.2493 10.2493 10.4074 10.4074 k = 0.2201 0.1271 0.3594 ( 6145 PWs) bands (ev): -45.6193 -45.6193 -45.6126 -45.6126 -17.6895 -17.6895 -17.6632 -17.6632 -17.5228 -17.5228 -17.5041 -17.5041 -17.4819 -17.4819 -17.4671 -17.4671 -7.7265 -7.7265 -7.7073 -7.7073 -7.6823 -7.6823 -7.6583 -7.6583 -6.9233 -6.9233 -6.8787 -6.8787 -6.8416 -6.8416 -6.7833 -6.7833 -6.7459 -6.7459 -6.7198 -6.7198 0.3045 0.3045 3.6631 3.6631 5.1842 5.1842 7.0239 7.0239 8.2494 8.2494 9.9039 9.9039 10.2067 10.2067 10.3513 10.3513 k = 0.2120 0.1224 0.3461 ( 6165 PWs) bands (ev): -45.6194 -45.6194 -45.6125 -45.6125 -17.6900 -17.6900 -17.6625 -17.6625 -17.5227 -17.5227 -17.5051 -17.5051 -17.4813 -17.4813 -17.4674 -17.4674 -7.7263 -7.7263 -7.7081 -7.7081 -7.6814 -7.6814 -7.6588 -7.6588 -6.9249 -6.9249 -6.8776 -6.8776 -6.8416 -6.8416 -6.7818 -6.7818 -6.7463 -6.7463 -6.7208 -6.7208 0.2375 0.2375 3.7706 3.7706 5.2721 5.2721 7.0886 7.0886 8.2615 8.2615 9.8281 9.8281 10.1528 10.1528 10.3171 10.3171 k = 0.2038 0.1177 0.3328 ( 6143 PWs) bands (ev): -45.6196 -45.6196 -45.6123 -45.6123 -17.6903 -17.6903 -17.6617 -17.6617 -17.5224 -17.5224 -17.5059 -17.5059 -17.4805 -17.4805 -17.4676 -17.4676 -7.7261 -7.7261 -7.7089 -7.7089 -7.6806 -7.6806 -7.6593 -7.6593 -6.9267 -6.9267 -6.8762 -6.8762 -6.8415 -6.8415 -6.7804 -6.7804 -6.7468 -6.7468 -6.7217 -6.7217 0.1721 0.1721 3.8809 3.8809 5.3639 5.3639 7.1528 7.1528 8.2688 8.2688 9.7547 9.7547 10.0885 10.0885 10.3034 10.3034 k = 0.1957 0.1130 0.3195 ( 6147 PWs) bands (ev): -45.6197 -45.6197 -45.6122 -45.6122 -17.6907 -17.6907 -17.6610 -17.6610 -17.5222 -17.5222 -17.5068 -17.5068 -17.4798 -17.4798 -17.4678 -17.4678 -7.7258 -7.7258 -7.7097 -7.7097 -7.6798 -7.6798 -7.6598 -7.6598 -6.9285 -6.9285 -6.8747 -6.8747 -6.8415 -6.8415 -6.7792 -6.7792 -6.7475 -6.7475 -6.7223 -6.7223 0.1085 0.1085 3.9940 3.9940 5.4595 5.4595 7.2161 7.2161 8.2716 8.2716 9.6840 9.6840 10.0194 10.0194 10.3043 10.3043 k = 0.1875 0.1083 0.3062 ( 6155 PWs) bands (ev): -45.6198 -45.6198 -45.6120 -45.6120 -17.6911 -17.6911 -17.6604 -17.6604 -17.5220 -17.5220 -17.5076 -17.5076 -17.4792 -17.4792 -17.4680 -17.4680 -7.7256 -7.7256 -7.7105 -7.7105 -7.6789 -7.6789 -7.6604 -7.6604 -6.9303 -6.9303 -6.8731 -6.8731 -6.8413 -6.8413 -6.7781 -6.7781 -6.7484 -6.7484 -6.7228 -6.7228 0.0469 0.0469 4.1099 4.1099 5.5585 5.5585 7.2782 7.2782 8.2699 8.2699 9.6158 9.6158 9.9491 9.9491 10.3154 10.3154 k = 0.1793 0.1035 0.2929 ( 6147 PWs) bands (ev): -45.6200 -45.6200 -45.6119 -45.6119 -17.6915 -17.6915 -17.6596 -17.6596 -17.5218 -17.5218 -17.5084 -17.5084 -17.4786 -17.4786 -17.4682 -17.4682 -7.7253 -7.7253 -7.7112 -7.7112 -7.6781 -7.6781 -7.6609 -7.6609 -6.9322 -6.9322 -6.8713 -6.8713 -6.8412 -6.8412 -6.7771 -6.7771 -6.7496 -6.7496 -6.7231 -6.7231 -0.0126 -0.0126 4.2284 4.2284 5.6609 5.6609 7.3390 7.3390 8.2643 8.2643 9.5503 9.5503 9.8794 9.8794 10.3337 10.3337 k = 0.1712 0.0988 0.2796 ( 6149 PWs) bands (ev): -45.6201 -45.6201 -45.6118 -45.6118 -17.6919 -17.6919 -17.6589 -17.6589 -17.5215 -17.5215 -17.5092 -17.5092 -17.4780 -17.4780 -17.4685 -17.4685 -7.7250 -7.7250 -7.7120 -7.7120 -7.6773 -7.6773 -7.6614 -7.6614 -6.9341 -6.9341 -6.8694 -6.8694 -6.8410 -6.8410 -6.7764 -6.7764 -6.7509 -6.7509 -6.7231 -6.7231 -0.0700 -0.0700 4.3495 4.3495 5.7665 5.7665 7.3980 7.3980 8.2553 8.2553 9.4875 9.4875 9.8112 9.8112 10.3569 10.3569 k = 0.1630 0.0941 0.2662 ( 6151 PWs) bands (ev): -45.6202 -45.6202 -45.6116 -45.6116 -17.6922 -17.6922 -17.6583 -17.6583 -17.5213 -17.5213 -17.5100 -17.5100 -17.4774 -17.4774 -17.4687 -17.4687 -7.7247 -7.7247 -7.7127 -7.7127 -7.6766 -7.6766 -7.6620 -7.6620 -6.9360 -6.9360 -6.8674 -6.8674 -6.8407 -6.8407 -6.7757 -6.7757 -6.7524 -6.7524 -6.7230 -6.7230 -0.1252 -0.1252 4.4731 4.4731 5.8750 5.8750 7.4549 7.4549 8.2433 8.2433 9.4275 9.4275 9.7450 9.7450 10.3826 10.3826 k = 0.1549 0.0894 0.2529 ( 6151 PWs) bands (ev): -45.6204 -45.6204 -45.6115 -45.6115 -17.6926 -17.6926 -17.6576 -17.6576 -17.5211 -17.5211 -17.5108 -17.5108 -17.4769 -17.4769 -17.4690 -17.4690 -7.7245 -7.7245 -7.7135 -7.7135 -7.6758 -7.6758 -7.6625 -7.6625 -6.9379 -6.9379 -6.8653 -6.8653 -6.8404 -6.8404 -6.7752 -6.7752 -6.7541 -6.7541 -6.7228 -6.7228 -0.1781 -0.1781 4.5991 4.5991 5.9864 5.9864 7.5095 7.5095 8.2290 8.2290 9.3702 9.3702 9.6808 9.6808 10.4079 10.4079 k = 0.1467 0.0847 0.2396 ( 6159 PWs) bands (ev): -45.6205 -45.6205 -45.6114 -45.6114 -17.6929 -17.6929 -17.6570 -17.6570 -17.5209 -17.5209 -17.5115 -17.5115 -17.4764 -17.4764 -17.4692 -17.4692 -7.7242 -7.7242 -7.7142 -7.7142 -7.6751 -7.6751 -7.6631 -7.6631 -6.9397 -6.9397 -6.8631 -6.8631 -6.8401 -6.8401 -6.7749 -6.7749 -6.7559 -6.7559 -6.7224 -6.7224 -0.2285 -0.2285 4.7274 4.7274 6.1003 6.1003 7.5614 7.5614 8.2130 8.2130 9.3156 9.3156 9.6191 9.6191 10.4291 10.4291 k = 0.1386 0.0800 0.2263 ( 6155 PWs) bands (ev): -45.6206 -45.6206 -45.6113 -45.6113 -17.6932 -17.6932 -17.6563 -17.6563 -17.5207 -17.5207 -17.5122 -17.5122 -17.4759 -17.4759 -17.4695 -17.4695 -7.7239 -7.7239 -7.7148 -7.7148 -7.6744 -7.6744 -7.6636 -7.6636 -6.9415 -6.9415 -6.8609 -6.8609 -6.8397 -6.8397 -6.7747 -6.7747 -6.7577 -6.7577 -6.7219 -6.7219 -0.2766 -0.2766 4.8579 4.8579 6.2166 6.2166 7.6104 7.6104 8.1958 8.1958 9.2639 9.2639 9.5597 9.5597 10.4417 10.4417 k = 0.1304 0.0753 0.2130 ( 6149 PWs) bands (ev): -45.6207 -45.6207 -45.6112 -45.6112 -17.6935 -17.6935 -17.6557 -17.6557 -17.5204 -17.5204 -17.5128 -17.5128 -17.4754 -17.4754 -17.4697 -17.4697 -7.7236 -7.7236 -7.7155 -7.7155 -7.6738 -7.6738 -7.6641 -7.6641 -6.9433 -6.9433 -6.8586 -6.8586 -6.8393 -6.8393 -6.7747 -6.7747 -6.7596 -6.7596 -6.7214 -6.7214 -0.3221 -0.3221 4.9904 4.9904 6.3351 6.3351 7.6562 7.6562 8.1779 8.1779 9.2149 9.2149 9.5027 9.5027 10.4399 10.4399 k = 0.1223 0.0706 0.1997 ( 6143 PWs) bands (ev): -45.6208 -45.6208 -45.6111 -45.6111 -17.6938 -17.6938 -17.6551 -17.6551 -17.5202 -17.5202 -17.5134 -17.5134 -17.4749 -17.4749 -17.4699 -17.4699 -7.7233 -7.7233 -7.7161 -7.7161 -7.6732 -7.6732 -7.6646 -7.6646 -6.9450 -6.9450 -6.8563 -6.8563 -6.8388 -6.8388 -6.7747 -6.7747 -6.7616 -6.7616 -6.7208 -6.7208 -0.3650 -0.3650 5.1246 5.1246 6.4554 6.4554 7.6987 7.6987 8.1600 8.1600 9.1687 9.1687 9.4481 9.4481 10.4177 10.4177 k = 0.1141 0.0659 0.1864 ( 6147 PWs) bands (ev): -45.6209 -45.6209 -45.6110 -45.6110 -17.6941 -17.6941 -17.6545 -17.6545 -17.5200 -17.5200 -17.5141 -17.5141 -17.4745 -17.4745 -17.4701 -17.4701 -7.7230 -7.7230 -7.7167 -7.7167 -7.6726 -7.6726 -7.6651 -7.6651 -6.9466 -6.9466 -6.8540 -6.8540 -6.8383 -6.8383 -6.7749 -6.7749 -6.7635 -6.7635 -6.7202 -6.7202 -0.4054 -0.4054 5.2603 5.2603 6.5772 6.5772 7.7375 7.7375 8.1425 8.1425 9.1252 9.1252 9.3960 9.3960 10.3698 10.3698 k = 0.1060 0.0612 0.1731 ( 6151 PWs) bands (ev): -45.6210 -45.6210 -45.6109 -45.6109 -17.6943 -17.6943 -17.6540 -17.6540 -17.5198 -17.5198 -17.5147 -17.5147 -17.4742 -17.4742 -17.4703 -17.4703 -7.7227 -7.7227 -7.7172 -7.7172 -7.6721 -7.6721 -7.6656 -7.6656 -6.9482 -6.9482 -6.8517 -6.8517 -6.8378 -6.8378 -6.7752 -6.7752 -6.7654 -6.7654 -6.7196 -6.7196 -0.4431 -0.4431 5.3973 5.3973 6.7002 6.7002 7.7725 7.7725 8.1260 8.1260 9.0844 9.0844 9.3461 9.3461 10.2943 10.2943 k = 0.0978 0.0565 0.1597 ( 6143 PWs) bands (ev): -45.6211 -45.6211 -45.6108 -45.6108 -17.6945 -17.6945 -17.6534 -17.6534 -17.5196 -17.5196 -17.5152 -17.5152 -17.4738 -17.4738 -17.4705 -17.4705 -7.7225 -7.7225 -7.7177 -7.7177 -7.6716 -7.6716 -7.6660 -7.6660 -6.9496 -6.9496 -6.8495 -6.8495 -6.8373 -6.8373 -6.7756 -6.7756 -6.7673 -6.7673 -6.7190 -6.7190 -0.4781 -0.4781 5.5351 5.5351 6.8239 6.8239 7.8035 7.8035 8.1111 8.1111 9.0463 9.0463 9.2985 9.2985 10.1933 10.1933 k = 0.0897 0.0518 0.1464 ( 6143 PWs) bands (ev): -45.6212 -45.6212 -45.6107 -45.6107 -17.6947 -17.6947 -17.6530 -17.6530 -17.5194 -17.5194 -17.5157 -17.5157 -17.4735 -17.4735 -17.4707 -17.4707 -7.7222 -7.7222 -7.7182 -7.7182 -7.6711 -7.6711 -7.6664 -7.6664 -6.9510 -6.9510 -6.8473 -6.8473 -6.8368 -6.8368 -6.7761 -6.7761 -6.7692 -6.7692 -6.7184 -6.7184 -0.5104 -0.5104 5.6732 5.6732 6.9476 6.9476 7.8302 7.8302 8.0985 8.0985 9.0108 9.0108 9.2529 9.2529 10.0721 10.0721 k = 0.0815 0.0471 0.1331 ( 6151 PWs) bands (ev): -45.6212 -45.6212 -45.6106 -45.6106 -17.6950 -17.6950 -17.6525 -17.6525 -17.5192 -17.5192 -17.5161 -17.5161 -17.4732 -17.4732 -17.4709 -17.4709 -7.7220 -7.7220 -7.7186 -7.7186 -7.6707 -7.6707 -7.6668 -7.6668 -6.9523 -6.9523 -6.8451 -6.8451 -6.8362 -6.8362 -6.7766 -6.7766 -6.7710 -6.7710 -6.7178 -6.7178 -0.5400 -0.5400 5.8110 5.8110 7.0705 7.0705 7.8526 7.8526 8.0888 8.0888 8.9777 8.9777 9.2093 9.2093 9.9370 9.9370 k = 0.0734 0.0424 0.1198 ( 6155 PWs) bands (ev): -45.6213 -45.6213 -45.6106 -45.6106 -17.6952 -17.6952 -17.6521 -17.6521 -17.5191 -17.5191 -17.5165 -17.5165 -17.4729 -17.4729 -17.4710 -17.4710 -7.7218 -7.7218 -7.7190 -7.7190 -7.6704 -7.6704 -7.6672 -7.6672 -6.9535 -6.9535 -6.8431 -6.8431 -6.8357 -6.8357 -6.7772 -6.7772 -6.7727 -6.7727 -6.7173 -6.7173 -0.5669 -0.5669 5.9477 5.9477 7.1916 7.1916 7.8706 7.8706 8.0828 8.0828 8.9469 8.9469 9.1673 9.1673 9.7936 9.7936 k = 0.0652 0.0377 0.1065 ( 6149 PWs) bands (ev): -45.6214 -45.6214 -45.6105 -45.6105 -17.6953 -17.6953 -17.6517 -17.6517 -17.5190 -17.5190 -17.5169 -17.5169 -17.4727 -17.4727 -17.4712 -17.4712 -7.7215 -7.7215 -7.7194 -7.7194 -7.6700 -7.6700 -7.6675 -7.6675 -6.9545 -6.9545 -6.8411 -6.8411 -6.8351 -6.8351 -6.7778 -6.7778 -6.7742 -6.7742 -6.7168 -6.7168 -0.5909 -0.5909 6.0823 6.0823 7.3091 7.3091 7.8851 7.8851 8.0808 8.0808 8.9179 8.9179 9.1270 9.1270 9.6471 9.6471 k = 0.0571 0.0329 0.0932 ( 6147 PWs) bands (ev): -45.6214 -45.6214 -45.6105 -45.6105 -17.6954 -17.6954 -17.6514 -17.6514 -17.5189 -17.5189 -17.5172 -17.5172 -17.4724 -17.4724 -17.4713 -17.4713 -7.7214 -7.7214 -7.7197 -7.7197 -7.6698 -7.6698 -7.6678 -7.6678 -6.9555 -6.9555 -6.8393 -6.8393 -6.8346 -6.8346 -6.7784 -6.7784 -6.7757 -6.7757 -6.7163 -6.7163 -0.6122 -0.6122 6.2132 6.2132 7.4206 7.4206 7.8977 7.8977 8.0830 8.0830 8.8902 8.8902 9.0882 9.0882 9.5017 9.5017 k = 0.0489 0.0282 0.0799 ( 6149 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6956 -17.6956 -17.6511 -17.6511 -17.5188 -17.5188 -17.5175 -17.5175 -17.4722 -17.4722 -17.4714 -17.4714 -7.7212 -7.7212 -7.7199 -7.7199 -7.6695 -7.6695 -7.6681 -7.6681 -6.9563 -6.9563 -6.8377 -6.8377 -6.8341 -6.8341 -6.7790 -6.7790 -6.7770 -6.7770 -6.7159 -6.7159 -0.6307 -0.6307 6.3387 6.3387 7.5220 7.5220 7.9121 7.9121 8.0889 8.0889 8.8627 8.8627 9.0511 9.0511 9.3619 9.3619 k = 0.0408 0.0235 0.0666 ( 6151 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6957 -17.6957 -17.6508 -17.6508 -17.5187 -17.5187 -17.5178 -17.5178 -17.4721 -17.4721 -17.4715 -17.4715 -7.7210 -7.7210 -7.7202 -7.7202 -7.6693 -7.6693 -7.6683 -7.6683 -6.9570 -6.9570 -6.8362 -6.8362 -6.8337 -6.8337 -6.7795 -6.7795 -6.7782 -6.7782 -6.7156 -6.7156 -0.6463 -0.6463 6.4562 6.4562 7.6065 7.6065 7.9343 7.9343 8.0976 8.0976 8.8336 8.8336 9.0161 9.0161 9.2323 9.2323 k = 0.0326 0.0188 0.0532 ( 6157 PWs) bands (ev): -45.6215 -45.6215 -45.6103 -45.6103 -17.6958 -17.6958 -17.6506 -17.6506 -17.5187 -17.5187 -17.5180 -17.5180 -17.4720 -17.4720 -17.4716 -17.4716 -7.7209 -7.7209 -7.7204 -7.7204 -7.6691 -7.6691 -7.6685 -7.6685 -6.9576 -6.9576 -6.8350 -6.8350 -6.8333 -6.8333 -6.7800 -6.7800 -6.7792 -6.7792 -6.7153 -6.7153 -0.6591 -0.6591 6.5626 6.5626 7.6665 7.6665 7.9711 7.9711 8.1080 8.1080 8.7999 8.7999 8.9844 8.9844 9.1191 9.1191 k = 0.0245 0.0141 0.0399 ( 6173 PWs) bands (ev): -45.6216 -45.6216 -45.6104 -45.6104 -17.6960 -17.6960 -17.6504 -17.6504 -17.5187 -17.5187 -17.5183 -17.5183 -17.4718 -17.4718 -17.4716 -17.4716 -7.7208 -7.7208 -7.7205 -7.7205 -7.6690 -7.6690 -7.6687 -7.6687 -6.9580 -6.9580 -6.8340 -6.8340 -6.8330 -6.8330 -6.7804 -6.7804 -6.7799 -6.7799 -6.7151 -6.7151 -0.6691 -0.6691 6.6535 6.6535 7.7003 7.7003 8.0225 8.0225 8.1190 8.1190 8.7588 8.7588 8.9578 8.9578 9.0294 9.0294 k = 0.0163 0.0094 0.0266 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5187 -17.5187 -17.5185 -17.5185 -17.4718 -17.4718 -17.4717 -17.4717 -7.7208 -7.7208 -7.7206 -7.7206 -7.6689 -7.6689 -7.6688 -7.6688 -6.9584 -6.9584 -6.8332 -6.8332 -6.8328 -6.8328 -6.7807 -6.7807 -6.7805 -6.7805 -6.7149 -6.7149 -0.6762 -0.6762 6.7242 6.7242 7.7150 7.7150 8.0778 8.0778 8.1289 8.1289 8.7123 8.7123 8.9380 8.9380 8.9678 8.9678 k = 0.0082 0.0047 0.0133 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6688 -7.6688 -6.9586 -6.9586 -6.8328 -6.8328 -6.8327 -6.8327 -6.7809 -6.7809 -6.7809 -6.7809 -6.7149 -6.7149 -0.6805 -0.6805 6.7693 6.7693 7.7198 7.7198 8.1215 8.1215 8.1359 8.1359 8.6723 8.6723 8.9260 8.9260 8.9331 8.9331 k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6502 -17.6502 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6689 -7.6689 -6.9586 -6.9586 -6.8326 -6.8326 -6.8326 -6.8326 -6.7810 -6.7810 -6.7810 -6.7810 -6.7148 -6.7148 -0.6819 -0.6819 6.7849 6.7849 7.7208 7.7208 8.1384 8.1384 8.1384 8.1384 8.6562 8.6562 8.9220 8.9220 8.9220 8.9220 k = 0.0000 0.0000 0.0000 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6502 -17.6502 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6689 -7.6689 -6.9586 -6.9586 -6.8326 -6.8326 -6.8326 -6.8326 -6.7810 -6.7810 -6.7810 -6.7810 -6.7148 -6.7148 -0.6819 -0.6819 6.7849 6.7849 7.7208 7.7208 8.1384 8.1384 8.1384 8.1384 8.6562 8.6562 8.9220 8.9220 8.9220 8.9220 k = 0.0132 0.0076 0.0054 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5186 -17.5186 -17.5186 -17.5186 -17.4717 -17.4717 -17.4717 -17.4717 -7.7207 -7.7207 -7.7207 -7.7207 -7.6689 -7.6689 -7.6688 -7.6688 -6.9586 -6.9586 -6.8328 -6.8328 -6.8327 -6.8327 -6.7809 -6.7809 -6.7809 -6.7809 -6.7149 -6.7149 -0.6805 -0.6805 6.7697 6.7697 7.7200 7.7200 8.1254 8.1254 8.1322 8.1322 8.6722 8.6722 8.9291 8.9291 8.9295 8.9295 k = 0.0263 0.0152 0.0107 ( 6183 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6961 -17.6961 -17.6503 -17.6503 -17.5187 -17.5187 -17.5185 -17.5185 -17.4718 -17.4718 -17.4717 -17.4717 -7.7208 -7.7208 -7.7206 -7.7206 -7.6689 -7.6689 -7.6688 -7.6688 -6.9584 -6.9584 -6.8332 -6.8332 -6.8328 -6.8328 -6.7807 -6.7807 -6.7805 -6.7805 -6.7149 -6.7149 -0.6764 -0.6764 6.7252 6.7252 7.7168 7.7168 8.0909 8.0909 8.1142 8.1142 8.7145 8.7145 8.9499 8.9499 8.9527 8.9527 k = 0.0395 0.0228 0.0161 ( 6174 PWs) bands (ev): -45.6216 -45.6216 -45.6103 -45.6103 -17.6960 -17.6960 -17.6505 -17.6505 -17.5187 -17.5187 -17.5183 -17.5183 -17.4719 -17.4719 -17.4716 -17.4716 -7.7208 -7.7208 -7.7205 -7.7205 -7.6690 -7.6690 -7.6687 -7.6687 -6.9581 -6.9581 -6.8339 -6.8339 -6.8331 -6.8331 -6.7804 -6.7804 -6.7800 -6.7800 -6.7151 -6.7151 -0.6694 -0.6694 6.6549 6.6549 7.7097 7.7097 8.0439 8.0439 8.0862 8.0862 8.7709 8.7709 8.9822 8.9822 8.9938 8.9938 k = 0.0526 0.0304 0.0215 ( 6156 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6958 -17.6958 -17.6506 -17.6506 -17.5187 -17.5187 -17.5180 -17.5180 -17.4720 -17.4720 -17.4715 -17.4715 -7.7209 -7.7209 -7.7203 -7.7203 -7.6691 -7.6691 -7.6685 -7.6685 -6.9576 -6.9576 -6.8348 -6.8348 -6.8334 -6.8334 -6.7800 -6.7800 -6.7792 -6.7792 -6.7153 -6.7153 -0.6596 -0.6596 6.5632 6.5632 7.6969 7.6969 7.9914 7.9914 8.0504 8.0504 8.8307 8.8307 9.0239 9.0239 9.0548 9.0548 k = 0.0658 0.0380 0.0269 ( 6150 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6957 -17.6957 -17.6508 -17.6508 -17.5188 -17.5188 -17.5177 -17.5177 -17.4721 -17.4721 -17.4715 -17.4715 -7.7211 -7.7211 -7.7201 -7.7201 -7.6693 -7.6693 -7.6683 -7.6683 -6.9570 -6.9570 -6.8360 -6.8360 -6.8338 -6.8338 -6.7794 -6.7794 -6.7783 -6.7783 -6.7156 -6.7156 -0.6471 -0.6471 6.4545 6.4545 7.6775 7.6775 7.9375 7.9375 8.0091 8.0091 8.8884 8.8884 9.0725 9.0725 9.1350 9.1350 k = 0.0789 0.0456 0.0322 ( 6156 PWs) bands (ev): -45.6215 -45.6215 -45.6104 -45.6104 -17.6956 -17.6956 -17.6511 -17.6511 -17.5189 -17.5189 -17.5174 -17.5174 -17.4723 -17.4723 -17.4714 -17.4714 -7.7212 -7.7212 -7.7199 -7.7199 -7.6695 -7.6695 -7.6681 -7.6681 -6.9564 -6.9564 -6.8373 -6.8373 -6.8343 -6.8343 -6.7788 -6.7788 -6.7773 -6.7773 -6.7159 -6.7159 -0.6319 -0.6319 6.3325 6.3325 7.6514 7.6514 7.8842 7.8842 7.9639 7.9639 8.9439 8.9439 9.1258 9.1258 9.2302 9.2302 k = 0.0921 0.0532 0.0376 ( 6159 PWs) bands (ev): -45.6214 -45.6214 -45.6105 -45.6105 -17.6955 -17.6955 -17.6514 -17.6514 -17.5190 -17.5190 -17.5171 -17.5171 -17.4726 -17.4726 -17.4713 -17.4713 -7.7214 -7.7214 -7.7196 -7.7196 -7.6698 -7.6698 -7.6678 -7.6678 -6.9555 -6.9555 -6.8389 -6.8389 -6.8349 -6.8349 -6.7781 -6.7781 -6.7761 -6.7761 -6.7163 -6.7163 -0.6138 -0.6138 6.2006 6.2006 7.6191 7.6191 7.8325 7.8325 7.9163 7.9163 8.9984 8.9984 9.1820 9.1820 9.3358 9.3358 k = 0.1053 0.0608 0.0430 ( 6153 PWs) bands (ev): -45.6214 -45.6214 -45.6105 -45.6105 -17.6953 -17.6953 -17.6517 -17.6517 -17.5191 -17.5191 -17.5168 -17.5168 -17.4728 -17.4728 -17.4711 -17.4711 -7.7216 -7.7216 -7.7193 -7.7193 -7.6701 -7.6701 -7.6675 -7.6675 -6.9546 -6.9546 -6.8406 -6.8406 -6.8356 -6.8356 -6.7772 -6.7772 -6.7749 -6.7749 -6.7168 -6.7168 -0.5931 -0.5931 6.0611 6.0611 7.5817 7.5817 7.7824 7.7824 7.8673 7.8673 9.0529 9.0529 9.2397 9.2397 9.4485 9.4485 k = 0.1184 0.0684 0.0483 ( 6150 PWs) bands (ev): -45.6213 -45.6213 -45.6106 -45.6106 -17.6952 -17.6952 -17.6521 -17.6521 -17.5192 -17.5192 -17.5164 -17.5164 -17.4730 -17.4730 -17.4709 -17.4709 -7.7218 -7.7218 -7.7189 -7.7189 -7.6704 -7.6704 -7.6672 -7.6672 -6.9536 -6.9536 -6.8424 -6.8424 -6.8362 -6.8362 -6.7763 -6.7763 -6.7735 -6.7735 -6.7173 -6.7173 -0.5696 -0.5696 5.9161 5.9161 7.5406 7.5406 7.7338 7.7338 7.8178 7.8178 9.1071 9.1071 9.2974 9.2974 9.5660 9.5660 k = 0.1316 0.0760 0.0537 ( 6144 PWs) bands (ev): -45.6212 -45.6212 -45.6106 -45.6106 -17.6950 -17.6950 -17.6524 -17.6524 -17.5194 -17.5194 -17.5160 -17.5160 -17.4733 -17.4733 -17.4707 -17.4707 -7.7221 -7.7221 -7.7185 -7.7185 -7.6707 -7.6707 -7.6669 -7.6669 -6.9525 -6.9525 -6.8442 -6.8442 -6.8370 -6.8370 -6.7754 -6.7754 -6.7722 -6.7722 -6.7178 -6.7178 -0.5434 -0.5434 5.7672 5.7672 7.4970 7.4970 7.6866 7.6866 7.7683 7.7683 9.1607 9.1607 9.3539 9.3539 9.6872 9.6872 k = 0.1447 0.0836 0.0591 ( 6153 PWs) bands (ev): -45.6212 -45.6212 -45.6107 -45.6107 -17.6948 -17.6948 -17.6529 -17.6529 -17.5196 -17.5196 -17.5155 -17.5155 -17.4736 -17.4736 -17.4706 -17.4706 -7.7223 -7.7223 -7.7181 -7.7181 -7.6711 -7.6711 -7.6665 -7.6665 -6.9512 -6.9512 -6.8462 -6.8462 -6.8377 -6.8377 -6.7744 -6.7744 -6.7708 -6.7708 -6.7185 -6.7185 -0.5145 -0.5145 5.6156 5.6156 7.4521 7.4521 7.6405 7.6405 7.7192 7.7192 9.2127 9.2127 9.4078 9.4078 9.8112 9.8112 k = 0.1579 0.0912 0.0645 ( 6129 PWs) bands (ev): -45.6211 -45.6211 -45.6108 -45.6108 -17.6945 -17.6945 -17.6533 -17.6533 -17.5197 -17.5197 -17.5149 -17.5149 -17.4739 -17.4739 -17.4703 -17.4703 -7.7226 -7.7226 -7.7176 -7.7176 -7.6715 -7.6715 -7.6661 -7.6661 -6.9499 -6.9499 -6.8483 -6.8483 -6.8385 -6.8385 -6.7733 -6.7733 -6.7693 -6.7693 -6.7191 -6.7191 -0.4830 -0.4830 5.4623 5.4623 7.4067 7.4067 7.5955 7.5955 7.6708 7.6708 9.2624 9.2624 9.4582 9.4582 9.9377 9.9377 k = 0.1711 0.0988 0.0698 ( 6129 PWs) bands (ev): -45.6210 -45.6210 -45.6108 -45.6108 -17.6943 -17.6943 -17.6538 -17.6538 -17.5200 -17.5200 -17.5143 -17.5143 -17.4743 -17.4743 -17.4701 -17.4701 -7.7229 -7.7229 -7.7171 -7.7171 -7.6720 -7.6720 -7.6657 -7.6657 -6.9485 -6.9485 -6.8503 -6.8503 -6.8393 -6.8393 -6.7722 -6.7722 -6.7679 -6.7679 -6.7198 -6.7198 -0.4489 -0.4489 5.3081 5.3081 7.3614 7.3614 7.5516 7.5516 7.6235 7.6235 9.3086 9.3086 9.5038 9.5038 10.0664 10.0664 k = 0.1842 0.1064 0.0752 ( 6147 PWs) bands (ev): -45.6209 -45.6209 -45.6110 -45.6110 -17.6941 -17.6941 -17.6544 -17.6544 -17.5203 -17.5203 -17.5138 -17.5138 -17.4748 -17.4748 -17.4699 -17.4699 -7.7231 -7.7231 -7.7165 -7.7165 -7.6725 -7.6725 -7.6653 -7.6653 -6.9470 -6.9470 -6.8525 -6.8525 -6.8401 -6.8401 -6.7712 -6.7712 -6.7665 -6.7665 -6.7206 -6.7206 -0.4122 -0.4122 5.1537 5.1537 7.3166 7.3166 7.5088 7.5088 7.5774 7.5774 9.3505 9.3505 9.5437 9.5437 10.1970 10.1970 k = 0.1974 0.1140 0.0806 ( 6141 PWs) bands (ev): -45.6208 -45.6208 -45.6110 -45.6110 -17.6938 -17.6938 -17.6549 -17.6549 -17.5205 -17.5205 -17.5131 -17.5131 -17.4752 -17.4752 -17.4697 -17.4697 -7.7234 -7.7234 -7.7159 -7.7159 -7.6730 -7.6730 -7.6649 -7.6649 -6.9454 -6.9454 -6.8546 -6.8546 -6.8409 -6.8409 -6.7700 -6.7700 -6.7650 -6.7650 -6.7213 -6.7213 -0.3730 -0.3730 4.9996 4.9996 7.2728 7.2728 7.4673 7.4673 7.5326 7.5326 9.3873 9.3873 9.5771 9.5771 10.3293 10.3293 k = 0.2105 0.1215 0.0859 ( 6141 PWs) bands (ev): -45.6207 -45.6207 -45.6111 -45.6111 -17.6936 -17.6936 -17.6555 -17.6555 -17.5207 -17.5207 -17.5125 -17.5125 -17.4756 -17.4756 -17.4695 -17.4695 -7.7237 -7.7237 -7.7153 -7.7153 -7.6735 -7.6735 -7.6644 -7.6644 -6.9438 -6.9438 -6.8567 -6.8567 -6.8417 -6.8417 -6.7689 -6.7689 -6.7636 -6.7636 -6.7221 -6.7221 -0.3313 -0.3313 4.8463 4.8463 7.2302 7.2302 7.4270 7.4270 7.4894 7.4894 9.4183 9.4183 9.6035 9.6035 10.4631 10.4631 k = 0.2237 0.1291 0.0913 ( 6147 PWs) bands (ev): -45.6206 -45.6206 -45.6112 -45.6112 -17.6933 -17.6933 -17.6561 -17.6561 -17.5210 -17.5210 -17.5118 -17.5118 -17.4761 -17.4761 -17.4692 -17.4692 -7.7240 -7.7240 -7.7147 -7.7147 -7.6741 -7.6741 -7.6640 -7.6640 -6.9421 -6.9421 -6.8589 -6.8589 -6.8425 -6.8425 -6.7678 -6.7678 -6.7623 -6.7623 -6.7230 -6.7230 -0.2872 -0.2872 4.6942 4.6942 7.1890 7.1890 7.3882 7.3882 7.4477 7.4477 9.4433 9.4433 9.6226 9.6226 10.5977 10.5977 k = 0.2368 0.1367 0.0967 ( 6144 PWs) bands (ev): -45.6205 -45.6205 -45.6114 -45.6114 -17.6930 -17.6930 -17.6567 -17.6567 -17.5212 -17.5212 -17.5111 -17.5111 -17.4766 -17.4766 -17.4690 -17.4690 -7.7243 -7.7243 -7.7140 -7.7140 -7.6746 -7.6746 -7.6636 -7.6636 -6.9404 -6.9404 -6.8610 -6.8610 -6.8433 -6.8433 -6.7667 -6.7667 -6.7609 -6.7609 -6.7239 -6.7239 -0.2407 -0.2407 4.5436 4.5436 7.1493 7.1493 7.3509 7.3509 7.4077 7.4077 9.4620 9.4620 9.6346 9.6346 10.7324 10.7324 k = 0.2500 0.1443 0.1021 ( 6150 PWs) bands (ev): -45.6204 -45.6204 -45.6115 -45.6115 -17.6927 -17.6927 -17.6573 -17.6573 -17.5215 -17.5215 -17.5104 -17.5104 -17.4771 -17.4771 -17.4688 -17.4688 -7.7245 -7.7245 -7.7133 -7.7133 -7.6753 -7.6753 -7.6632 -7.6632 -6.9386 -6.9386 -6.8631 -6.8631 -6.8441 -6.8441 -6.7656 -6.7656 -6.7596 -6.7596 -6.7248 -6.7248 -0.1920 -0.1920 4.3950 4.3950 7.1112 7.1112 7.3152 7.3152 7.3694 7.3694 9.4747 9.4747 9.6400 9.6400 10.8653 10.8653 k = 0.2632 0.1519 0.1074 ( 6144 PWs) bands (ev): -45.6203 -45.6203 -45.6116 -45.6116 -17.6924 -17.6924 -17.6579 -17.6579 -17.5217 -17.5217 -17.5096 -17.5096 -17.4776 -17.4776 -17.4686 -17.4686 -7.7248 -7.7248 -7.7126 -7.7126 -7.6759 -7.6759 -7.6628 -7.6628 -6.9368 -6.9368 -6.8652 -6.8652 -6.8448 -6.8448 -6.7645 -6.7645 -6.7584 -6.7584 -6.7257 -6.7257 -0.1412 -0.1412 4.2484 4.2484 7.0748 7.0748 7.2812 7.2812 7.3330 7.3330 9.4817 9.4817 9.6394 9.6394 10.9919 10.9919 k = 0.2763 0.1595 0.1128 ( 6153 PWs) bands (ev): -45.6202 -45.6202 -45.6117 -45.6117 -17.6921 -17.6921 -17.6586 -17.6586 -17.5220 -17.5220 -17.5089 -17.5089 -17.4782 -17.4782 -17.4683 -17.4683 -7.7251 -7.7251 -7.7119 -7.7119 -7.6765 -7.6765 -7.6624 -7.6624 -6.9349 -6.9349 -6.8673 -6.8673 -6.8456 -6.8456 -6.7635 -6.7635 -6.7572 -6.7572 -6.7266 -6.7266 -0.0883 -0.0883 4.1044 4.1044 7.0402 7.0402 7.2488 7.2488 7.2984 7.2984 9.4837 9.4837 9.6337 9.6337 11.1017 11.1017 k = 0.2895 0.1671 0.1182 ( 6156 PWs) bands (ev): -45.6201 -45.6201 -45.6118 -45.6118 -17.6917 -17.6917 -17.6592 -17.6592 -17.5222 -17.5222 -17.5081 -17.5081 -17.4788 -17.4788 -17.4681 -17.4681 -7.7253 -7.7253 -7.7111 -7.7111 -7.6772 -7.6772 -7.6620 -7.6620 -6.9331 -6.9331 -6.8694 -6.8694 -6.8463 -6.8463 -6.7624 -6.7624 -6.7560 -6.7560 -6.7275 -6.7275 -0.0335 -0.0335 3.9632 3.9632 7.0074 7.0074 7.2183 7.2183 7.2656 7.2656 9.4813 9.4813 9.6238 9.6238 11.1737 11.1737 k = 0.3026 0.1747 0.1235 ( 6156 PWs) bands (ev): -45.6200 -45.6200 -45.6119 -45.6119 -17.6914 -17.6914 -17.6599 -17.6599 -17.5224 -17.5224 -17.5073 -17.5073 -17.4794 -17.4794 -17.4679 -17.4679 -7.7255 -7.7255 -7.7104 -7.7104 -7.6779 -7.6779 -7.6616 -7.6616 -6.9312 -6.9312 -6.8713 -6.8713 -6.8469 -6.8469 -6.7615 -6.7615 -6.7549 -6.7549 -6.7285 -6.7285 0.0229 0.0229 3.8250 3.8250 6.9764 6.9764 7.1895 7.1895 7.2347 7.2347 9.4753 9.4753 9.6106 9.6106 11.1971 11.1971 k = 0.3158 0.1823 0.1289 ( 6159 PWs) bands (ev): -45.6198 -45.6198 -45.6120 -45.6120 -17.6910 -17.6910 -17.6605 -17.6605 -17.5226 -17.5226 -17.5065 -17.5065 -17.4800 -17.4800 -17.4677 -17.4677 -7.7258 -7.7258 -7.7096 -7.7096 -7.6786 -7.6786 -7.6612 -7.6612 -6.9293 -6.9293 -6.8733 -6.8733 -6.8475 -6.8475 -6.7605 -6.7605 -6.7538 -6.7538 -6.7294 -6.7294 0.0809 0.0809 3.6902 3.6902 6.9474 6.9474 7.1625 7.1625 7.2058 7.2058 9.4664 9.4664 9.5951 9.5951 11.1896 11.1896 k = 0.3289 0.1899 0.1343 ( 6165 PWs) bands (ev): -45.6197 -45.6197 -45.6122 -45.6122 -17.6907 -17.6907 -17.6611 -17.6611 -17.5229 -17.5229 -17.5057 -17.5057 -17.4807 -17.4807 -17.4676 -17.4676 -7.7260 -7.7260 -7.7088 -7.7088 -7.6793 -7.6793 -7.6609 -7.6609 -6.9275 -6.9275 -6.8752 -6.8752 -6.8481 -6.8481 -6.7596 -6.7596 -6.7528 -6.7528 -6.7303 -6.7303 0.1401 0.1401 3.5591 3.5591 6.9203 6.9203 7.1374 7.1374 7.1788 7.1788 9.4555 9.4555 9.5780 9.5780 11.1693 11.1693 k = 0.3421 0.1975 0.1397 ( 6159 PWs) bands (ev): -45.6196 -45.6196 -45.6123 -45.6123 -17.6904 -17.6904 -17.6617 -17.6617 -17.5231 -17.5231 -17.5049 -17.5049 -17.4813 -17.4813 -17.4673 -17.4673 -7.7262 -7.7262 -7.7080 -7.7080 -7.6800 -7.6800 -7.6606 -7.6606 -6.9256 -6.9256 -6.8771 -6.8771 -6.8487 -6.8487 -6.7588 -6.7588 -6.7518 -6.7518 -6.7312 -6.7312 0.2002 0.2002 3.4322 3.4322 6.8951 6.8951 7.1142 7.1142 7.1537 7.1537 9.4431 9.4431 9.5600 9.5600 11.1443 11.1443 k = 0.3553 0.2051 0.1450 ( 6159 PWs) bands (ev): -45.6195 -45.6195 -45.6124 -45.6124 -17.6901 -17.6901 -17.6623 -17.6623 -17.5233 -17.5233 -17.5041 -17.5041 -17.4819 -17.4819 -17.4671 -17.4671 -7.7264 -7.7264 -7.7073 -7.7073 -7.6807 -7.6807 -7.6603 -7.6603 -6.9238 -6.9238 -6.8788 -6.8788 -6.8492 -6.8492 -6.7580 -6.7580 -6.7509 -6.7509 -6.7321 -6.7321 0.2608 0.2608 3.3099 3.3099 6.8719 6.8719 7.0928 7.0928 7.1306 7.1306 9.4299 9.4299 9.5418 9.5418 11.1180 11.1180 k = 0.3684 0.2127 0.1504 ( 6150 PWs) bands (ev): -45.6194 -45.6194 -45.6125 -45.6125 -17.6897 -17.6897 -17.6628 -17.6628 -17.5234 -17.5234 -17.5032 -17.5032 -17.4826 -17.4826 -17.4670 -17.4670 -7.7265 -7.7265 -7.7065 -7.7065 -7.6814 -7.6814 -7.6600 -7.6600 -6.9221 -6.9221 -6.8806 -6.8806 -6.8497 -6.8497 -6.7573 -6.7573 -6.7501 -6.7501 -6.7330 -6.7330 0.3215 0.3215 3.1927 3.1927 6.8506 6.8506 7.0733 7.0733 7.1096 7.1096 9.4163 9.4163 9.5238 9.5238 11.0922 11.0922 k = 0.3816 0.2203 0.1558 ( 6150 PWs) bands (ev): -45.6193 -45.6193 -45.6126 -45.6126 -17.6894 -17.6894 -17.6633 -17.6633 -17.5236 -17.5236 -17.5025 -17.5025 -17.4832 -17.4832 -17.4668 -17.4668 -7.7267 -7.7267 -7.7058 -7.7058 -7.6820 -7.6820 -7.6597 -7.6597 -6.9204 -6.9204 -6.8822 -6.8822 -6.8501 -6.8501 -6.7566 -6.7566 -6.7492 -6.7492 -6.7338 -6.7338 0.3817 0.3817 3.0813 3.0813 6.8314 6.8314 7.0556 7.0556 7.0904 7.0904 9.4030 9.4030 9.5064 9.5064 11.0676 11.0676 k = 0.3947 0.2279 0.1612 ( 6162 PWs) bands (ev): -45.6192 -45.6192 -45.6127 -45.6127 -17.6891 -17.6891 -17.6639 -17.6639 -17.5237 -17.5237 -17.5017 -17.5017 -17.4839 -17.4839 -17.4667 -17.4667 -7.7268 -7.7268 -7.7050 -7.7050 -7.6827 -7.6827 -7.6595 -7.6595 -6.9187 -6.9187 -6.8838 -6.8838 -6.8505 -6.8505 -6.7560 -6.7560 -6.7485 -6.7485 -6.7346 -6.7346 0.4406 0.4406 2.9764 2.9764 6.8141 6.8141 7.0398 7.0398 7.0733 7.0733 9.3901 9.3901 9.4901 9.4901 11.0448 11.0448 k = 0.4079 0.2355 0.1665 ( 6171 PWs) bands (ev): -45.6191 -45.6191 -45.6128 -45.6128 -17.6889 -17.6889 -17.6644 -17.6644 -17.5239 -17.5239 -17.5010 -17.5010 -17.4845 -17.4845 -17.4666 -17.4666 -7.7270 -7.7270 -7.7043 -7.7043 -7.6833 -7.6833 -7.6593 -7.6593 -6.9171 -6.9171 -6.8853 -6.8853 -6.8509 -6.8509 -6.7555 -6.7555 -6.7478 -6.7478 -6.7354 -6.7354 0.4975 0.4975 2.8789 2.8789 6.7989 6.7989 7.0259 7.0259 7.0582 7.0582 9.3781 9.3781 9.4751 9.4751 11.0241 11.0241 k = 0.4211 0.2431 0.1719 ( 6174 PWs) bands (ev): -45.6190 -45.6190 -45.6129 -45.6129 -17.6886 -17.6886 -17.6648 -17.6648 -17.5240 -17.5240 -17.5004 -17.5004 -17.4851 -17.4851 -17.4665 -17.4665 -7.7271 -7.7271 -7.7037 -7.7037 -7.6839 -7.6839 -7.6591 -7.6591 -6.9156 -6.9156 -6.8867 -6.8867 -6.8512 -6.8512 -6.7550 -6.7550 -6.7471 -6.7471 -6.7361 -6.7361 0.5511 0.5511 2.7900 2.7900 6.7857 6.7857 7.0139 7.0139 7.0451 7.0451 9.3672 9.3672 9.4616 9.4616 11.0059 11.0059 k = 0.4342 0.2507 0.1773 ( 6173 PWs) bands (ev): -45.6190 -45.6190 -45.6129 -45.6129 -17.6884 -17.6884 -17.6652 -17.6652 -17.5241 -17.5241 -17.4997 -17.4997 -17.4856 -17.4856 -17.4664 -17.4664 -7.7272 -7.7272 -7.7031 -7.7031 -7.6845 -7.6845 -7.6589 -7.6589 -6.9143 -6.9143 -6.8880 -6.8880 -6.8514 -6.8514 -6.7546 -6.7546 -6.7465 -6.7465 -6.7367 -6.7367 0.6004 0.6004 2.7108 2.7108 6.7745 6.7745 7.0037 7.0037 7.0340 7.0340 9.3576 9.3576 9.4499 9.4499 10.9902 10.9902 k = 0.4474 0.2583 0.1826 ( 6179 PWs) bands (ev): -45.6189 -45.6189 -45.6130 -45.6130 -17.6882 -17.6882 -17.6655 -17.6655 -17.5242 -17.5242 -17.4992 -17.4992 -17.4862 -17.4862 -17.4663 -17.4663 -7.7272 -7.7272 -7.7026 -7.7026 -7.6850 -7.6850 -7.6588 -7.6588 -6.9131 -6.9131 -6.8892 -6.8892 -6.8517 -6.8517 -6.7542 -6.7542 -6.7460 -6.7460 -6.7373 -6.7373 0.6439 0.6439 2.6429 2.6429 6.7653 6.7653 6.9954 6.9954 7.0250 7.0250 9.3496 9.3496 9.4402 9.4402 10.9772 10.9772 k = 0.4605 0.2659 0.1880 ( 6179 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6880 -17.6880 -17.6657 -17.6657 -17.5243 -17.5243 -17.4987 -17.4987 -17.4866 -17.4866 -17.4663 -17.4663 -7.7273 -7.7273 -7.7022 -7.7022 -7.6853 -7.6853 -7.6587 -7.6587 -6.9121 -6.9121 -6.8901 -6.8901 -6.8518 -6.8518 -6.7540 -6.7540 -6.7456 -6.7456 -6.7378 -6.7378 0.6800 0.6800 2.5877 2.5877 6.7582 6.7582 6.9889 6.9889 7.0179 7.0179 9.3432 9.3432 9.4325 9.4325 10.9670 10.9670 k = 0.4737 0.2735 0.1934 ( 6179 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6879 -17.6879 -17.6659 -17.6659 -17.5243 -17.5243 -17.4983 -17.4983 -17.4869 -17.4869 -17.4663 -17.4663 -7.7273 -7.7273 -7.7019 -7.7019 -7.6856 -7.6856 -7.6586 -7.6586 -6.9113 -6.9113 -6.8909 -6.8909 -6.8519 -6.8519 -6.7538 -6.7538 -6.7452 -6.7452 -6.7382 -6.7382 0.7071 0.7071 2.5469 2.5469 6.7531 6.7531 6.9843 6.9843 7.0129 7.0129 9.3385 9.3385 9.4269 9.4269 10.9597 10.9597 k = 0.4868 0.2811 0.1988 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6878 -17.6878 -17.6660 -17.6660 -17.5243 -17.5243 -17.4982 -17.4982 -17.4869 -17.4869 -17.4663 -17.4663 -7.7274 -7.7274 -7.7017 -7.7017 -7.6858 -7.6858 -7.6586 -7.6586 -6.9108 -6.9108 -6.8913 -6.8913 -6.8520 -6.8520 -6.7537 -6.7537 -6.7450 -6.7450 -6.7384 -6.7384 0.7241 0.7241 2.5218 2.5218 6.7500 6.7500 6.9815 6.9815 7.0098 7.0098 9.3357 9.3357 9.4235 9.4235 10.9553 10.9553 k = 0.5000 0.2887 0.2041 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6660 -17.6660 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4663 -17.4663 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9106 -6.9106 -6.8915 -6.8915 -6.8520 -6.8520 -6.7536 -6.7536 -6.7449 -6.7449 -6.7385 -6.7385 0.7298 0.7298 2.5133 2.5133 6.7490 6.7490 6.9806 6.9806 7.0088 7.0088 9.3348 9.3348 9.4224 9.4224 10.9538 10.9538 k = 0.5000 0.2887 0.2041 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6660 -17.6660 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4663 -17.4663 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9106 -6.9106 -6.8915 -6.8915 -6.8520 -6.8520 -6.7536 -6.7536 -6.7449 -6.7449 -6.7385 -6.7385 0.7298 0.7298 2.5133 2.5133 6.7490 6.7490 6.9806 6.9806 7.0088 7.0088 9.3348 9.3348 9.4224 9.4224 10.9538 10.9538 k = 0.5046 0.2753 0.2117 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9107 -6.9107 -6.8914 -6.8914 -6.8520 -6.8520 -6.7541 -6.7541 -6.7451 -6.7451 -6.7379 -6.7379 0.7312 0.7312 2.5138 2.5138 6.7061 6.7061 6.9192 6.9192 7.1085 7.1085 9.3351 9.3351 9.4224 9.4224 10.9665 10.9665 k = 0.5093 0.2619 0.2192 ( 6165 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4980 -17.4980 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6860 -7.6860 -7.6585 -7.6585 -6.9107 -6.9107 -6.8912 -6.8912 -6.8519 -6.8519 -6.7553 -6.7553 -6.7456 -6.7456 -6.7364 -6.7364 0.7351 0.7351 2.5153 2.5153 6.6018 6.6018 6.8834 6.8834 7.2350 7.2350 9.3323 9.3323 9.4272 9.4272 11.0037 11.0037 k = 0.5139 0.2486 0.2268 ( 6169 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6662 -17.6662 -17.5243 -17.5243 -17.4979 -17.4979 -17.4872 -17.4872 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6861 -7.6861 -7.6584 -7.6584 -6.9108 -6.9108 -6.8910 -6.8910 -6.8518 -6.8518 -6.7571 -6.7571 -6.7460 -6.7460 -6.7345 -6.7345 0.7418 0.7418 2.5178 2.5178 6.4746 6.4746 6.8583 6.8583 7.3643 7.3643 9.3200 9.3200 9.4455 9.4455 11.0634 11.0634 k = 0.5185 0.2352 0.2344 ( 6172 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6876 -17.6876 -17.6663 -17.6663 -17.5243 -17.5243 -17.4978 -17.4978 -17.4873 -17.4873 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6863 -7.6863 -7.6582 -7.6582 -6.9109 -6.9109 -6.8906 -6.8906 -6.8516 -6.8516 -6.7593 -6.7593 -6.7463 -6.7463 -6.7324 -6.7324 0.7511 0.7511 2.5211 2.5211 6.3405 6.3405 6.8324 6.8324 7.4911 7.4911 9.2993 9.2993 9.4795 9.4795 11.1425 11.1425 k = 0.5231 0.2219 0.2419 ( 6172 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6875 -17.6875 -17.6664 -17.6664 -17.5243 -17.5243 -17.4977 -17.4977 -17.4874 -17.4874 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6865 -7.6865 -7.6581 -7.6581 -6.9111 -6.9111 -6.8901 -6.8901 -6.8514 -6.8514 -6.7618 -6.7618 -6.7465 -6.7465 -6.7302 -6.7302 0.7630 0.7630 2.5251 2.5251 6.2047 6.2047 6.8031 6.8031 7.6120 7.6120 9.2766 9.2766 9.5269 9.5269 11.2378 11.2378 k = 0.5278 0.2085 0.2495 ( 6166 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6874 -17.6874 -17.6666 -17.6666 -17.5242 -17.5242 -17.4976 -17.4976 -17.4875 -17.4875 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6867 -7.6867 -7.6579 -7.6579 -6.9113 -6.9113 -6.8895 -6.8895 -6.8511 -6.8511 -6.7645 -6.7645 -6.7467 -6.7467 -6.7280 -6.7280 0.7776 0.7776 2.5298 2.5298 6.0693 6.0693 6.7700 6.7700 7.7235 7.7235 9.2583 9.2583 9.5855 9.5855 11.3459 11.3459 k = 0.5324 0.1951 0.2570 ( 6170 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6873 -17.6873 -17.6668 -17.6668 -17.5242 -17.5242 -17.4975 -17.4975 -17.4876 -17.4876 -17.4662 -17.4662 -7.7275 -7.7275 -7.7013 -7.7013 -7.6869 -7.6869 -7.6576 -7.6576 -6.9115 -6.9115 -6.8888 -6.8888 -6.8507 -6.8507 -6.7673 -6.7673 -6.7468 -6.7468 -6.7259 -6.7259 0.7948 0.7948 2.5349 2.5349 5.9354 5.9354 6.7334 6.7334 7.8219 7.8219 9.2506 9.2506 9.6538 9.6538 11.4632 11.4632 k = 0.5370 0.1818 0.2646 ( 6162 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6871 -17.6871 -17.6670 -17.6670 -17.5241 -17.5241 -17.4973 -17.4973 -17.4878 -17.4878 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6871 -7.6871 -7.6574 -7.6574 -6.9117 -6.9117 -6.8880 -6.8880 -6.8504 -6.8504 -6.7701 -6.7701 -6.7469 -6.7469 -6.7238 -6.7238 0.8146 0.8146 2.5402 2.5402 5.8039 5.8039 6.6939 6.6939 7.9034 7.9034 9.2589 9.2589 9.7307 9.7307 11.5844 11.5844 k = 0.5417 0.1684 0.2722 ( 6175 PWs) bands (ev): -45.6185 -45.6185 -45.6134 -45.6134 -17.6870 -17.6870 -17.6673 -17.6673 -17.5241 -17.5241 -17.4971 -17.4971 -17.4880 -17.4880 -17.4662 -17.4662 -7.7275 -7.7275 -7.7013 -7.7013 -7.6873 -7.6873 -7.6572 -7.6572 -6.9119 -6.9119 -6.8871 -6.8871 -6.8499 -6.8499 -6.7730 -6.7730 -6.7470 -6.7470 -6.7218 -6.7218 0.8370 0.8370 2.5454 2.5454 5.6754 5.6754 6.6520 6.6520 7.9648 7.9648 9.2875 9.2875 9.8154 9.8154 11.6987 11.6987 k = 0.5463 0.1550 0.2797 ( 6167 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6867 -17.6867 -17.6676 -17.6676 -17.5241 -17.5241 -17.4969 -17.4969 -17.4881 -17.4881 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6875 -7.6875 -7.6569 -7.6569 -6.9122 -6.9122 -6.8862 -6.8862 -6.8495 -6.8495 -6.7759 -6.7759 -6.7471 -6.7471 -6.7198 -6.7198 0.8620 0.8620 2.5501 2.5501 5.5505 5.5505 6.6085 6.6085 8.0045 8.0045 9.3388 9.3388 9.9069 9.9069 11.7772 11.7772 k = 0.5509 0.1417 0.2873 ( 6167 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6865 -17.6865 -17.6679 -17.6679 -17.5240 -17.5240 -17.4968 -17.4968 -17.4883 -17.4883 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6877 -7.6877 -7.6567 -7.6567 -6.9124 -6.9124 -6.8853 -6.8853 -6.8489 -6.8489 -6.7788 -6.7788 -6.7472 -6.7472 -6.7180 -6.7180 0.8895 0.8895 2.5540 2.5540 5.4299 5.4299 6.5637 6.5637 8.0233 8.0233 9.4124 9.4124 10.0047 10.0047 11.7700 11.7700 k = 0.5556 0.1283 0.2948 ( 6165 PWs) bands (ev): -45.6183 -45.6183 -45.6136 -45.6136 -17.6863 -17.6863 -17.6682 -17.6682 -17.5239 -17.5239 -17.4966 -17.4966 -17.4884 -17.4884 -17.4661 -17.4661 -7.7275 -7.7275 -7.7014 -7.7014 -7.6877 -7.6877 -7.6565 -7.6565 -6.9126 -6.9126 -6.8843 -6.8843 -6.8484 -6.8484 -6.7817 -6.7817 -6.7473 -6.7473 -6.7162 -6.7162 0.9196 0.9196 2.5566 2.5566 5.3142 5.3142 6.5183 6.5183 8.0242 8.0242 9.5057 9.5057 10.1081 10.1081 11.6847 11.6847 k = 0.5602 0.1149 0.3024 ( 6165 PWs) bands (ev): -45.6182 -45.6182 -45.6137 -45.6137 -17.6860 -17.6860 -17.6686 -17.6686 -17.5239 -17.5239 -17.4965 -17.4965 -17.4886 -17.4886 -17.4661 -17.4661 -7.7274 -7.7274 -7.7016 -7.7016 -7.6878 -7.6878 -7.6563 -7.6563 -6.9129 -6.9129 -6.8833 -6.8833 -6.8478 -6.8478 -6.7846 -6.7846 -6.7473 -6.7473 -6.7146 -6.7146 0.9522 0.9522 2.5574 2.5574 5.2041 5.2041 6.4726 6.4726 8.0111 8.0111 9.6146 9.6146 10.2164 10.2164 11.5675 11.5675 k = 0.5648 0.1016 0.3100 ( 6166 PWs) bands (ev): -45.6181 -45.6181 -45.6138 -45.6138 -17.6858 -17.6858 -17.6689 -17.6689 -17.5238 -17.5238 -17.4963 -17.4963 -17.4887 -17.4887 -17.4661 -17.4661 -7.7274 -7.7274 -7.7018 -7.7018 -7.6878 -7.6878 -7.6561 -7.6561 -6.9131 -6.9131 -6.8823 -6.8823 -6.8471 -6.8471 -6.7875 -6.7875 -6.7473 -6.7473 -6.7131 -6.7131 0.9872 0.9872 2.5558 2.5558 5.1004 5.1004 6.4271 6.4271 7.9877 7.9877 9.7349 9.7349 10.3290 10.3290 11.4407 11.4407 k = 0.5694 0.0882 0.3175 ( 6159 PWs) bands (ev): -45.6180 -45.6180 -45.6139 -45.6139 -17.6855 -17.6855 -17.6693 -17.6693 -17.5237 -17.5237 -17.4962 -17.4962 -17.4888 -17.4888 -17.4661 -17.4661 -7.7273 -7.7273 -7.7020 -7.7020 -7.6877 -7.6877 -7.6560 -7.6560 -6.9133 -6.9133 -6.8812 -6.8812 -6.8464 -6.8464 -6.7903 -6.7903 -6.7473 -6.7473 -6.7117 -6.7117 1.0246 1.0246 2.5513 2.5513 5.0037 5.0037 6.3821 6.3821 7.9573 7.9573 9.8621 9.8621 10.4452 10.4452 11.3130 11.3130 k = 0.5741 0.0748 0.3251 ( 6159 PWs) bands (ev): -45.6179 -45.6179 -45.6140 -45.6140 -17.6851 -17.6851 -17.6697 -17.6697 -17.5236 -17.5236 -17.4962 -17.4962 -17.4888 -17.4888 -17.4662 -17.4662 -7.7273 -7.7273 -7.7023 -7.7023 -7.6876 -7.6876 -7.6559 -7.6559 -6.9134 -6.9134 -6.8802 -6.8802 -6.8457 -6.8457 -6.7930 -6.7930 -6.7473 -6.7473 -6.7104 -6.7104 1.0642 1.0642 2.5433 2.5433 4.9149 4.9149 6.3379 6.3379 7.9226 7.9226 9.9916 9.9916 10.5640 10.5640 11.1903 11.1903 k = 0.5787 0.0615 0.3326 ( 6153 PWs) bands (ev): -45.6178 -45.6178 -45.6141 -45.6141 -17.6848 -17.6848 -17.6702 -17.6702 -17.5235 -17.5235 -17.4962 -17.4962 -17.4887 -17.4887 -17.4662 -17.4662 -7.7272 -7.7272 -7.7026 -7.7026 -7.6874 -7.6874 -7.6558 -7.6558 -6.9136 -6.9136 -6.8793 -6.8793 -6.8449 -6.8449 -6.7957 -6.7957 -6.7472 -6.7472 -6.7092 -6.7092 1.1061 1.1061 2.5310 2.5310 4.8347 4.8347 6.2948 6.2948 7.8854 7.8854 10.1165 10.1165 10.6833 10.6833 11.0802 11.0802 k = 0.5833 0.0481 0.3402 ( 6157 PWs) bands (ev): -45.6177 -45.6177 -45.6142 -45.6142 -17.6845 -17.6845 -17.6706 -17.6706 -17.5234 -17.5234 -17.4963 -17.4963 -17.4886 -17.4886 -17.4662 -17.4662 -7.7271 -7.7271 -7.7029 -7.7029 -7.6872 -7.6872 -7.6557 -7.6557 -6.9137 -6.9137 -6.8784 -6.8784 -6.8440 -6.8440 -6.7984 -6.7984 -6.7471 -6.7471 -6.7082 -6.7082 1.1501 1.1501 2.5141 2.5141 4.7639 4.7639 6.2529 6.2529 7.8472 7.8472 10.2250 10.2250 10.7960 10.7960 11.0004 11.0004 k = 0.5880 0.0347 0.3478 ( 6156 PWs) bands (ev): -45.6176 -45.6176 -45.6143 -45.6143 -17.6841 -17.6841 -17.6710 -17.6710 -17.5233 -17.5233 -17.4965 -17.4965 -17.4885 -17.4885 -17.4662 -17.4662 -7.7270 -7.7270 -7.7033 -7.7033 -7.6869 -7.6869 -7.6557 -7.6557 -6.9138 -6.9138 -6.8776 -6.8776 -6.8431 -6.8431 -6.8009 -6.8009 -6.7470 -6.7470 -6.7073 -6.7073 1.1959 1.1959 2.4921 2.4921 4.7031 4.7031 6.2126 6.2126 7.8090 7.8090 10.2947 10.2947 10.8694 10.8694 11.0040 11.0040 k = 0.5926 0.0214 0.3553 ( 6160 PWs) bands (ev): -45.6175 -45.6175 -45.6144 -45.6144 -17.6838 -17.6838 -17.6715 -17.6715 -17.5232 -17.5232 -17.4967 -17.4967 -17.4883 -17.4883 -17.4663 -17.4663 -7.7268 -7.7268 -7.7037 -7.7037 -7.6866 -7.6866 -7.6557 -7.6557 -6.9138 -6.9138 -6.8769 -6.8769 -6.8422 -6.8422 -6.8034 -6.8034 -6.7469 -6.7469 -6.7065 -6.7065 1.2434 1.2434 2.4648 2.4648 4.6527 4.6527 6.1740 6.1740 7.7717 7.7717 10.3004 10.3004 10.9157 10.9157 11.1024 11.1024 k = 0.5972 0.0080 0.3629 ( 6160 PWs) bands (ev): -45.6174 -45.6174 -45.6145 -45.6145 -17.6834 -17.6834 -17.6720 -17.6720 -17.5231 -17.5231 -17.4970 -17.4970 -17.4880 -17.4880 -17.4663 -17.4663 -7.7267 -7.7267 -7.7041 -7.7041 -7.6863 -7.6863 -7.6558 -7.6558 -6.9139 -6.9139 -6.8762 -6.8762 -6.8412 -6.8412 -6.8057 -6.8057 -6.7467 -6.7467 -6.7058 -6.7058 1.2922 1.2922 2.4323 2.4323 4.6130 4.6130 6.1372 6.1372 7.7357 7.7357 10.2450 10.2450 11.0017 11.0017 11.2236 11.2236 k = 0.6019-0.0053 0.3704 ( 6158 PWs) bands (ev): -45.6172 -45.6172 -45.6146 -45.6146 -17.6830 -17.6830 -17.6724 -17.6724 -17.5229 -17.5229 -17.4973 -17.4973 -17.4877 -17.4877 -17.4664 -17.4664 -7.7265 -7.7265 -7.7045 -7.7045 -7.6859 -7.6859 -7.6559 -7.6559 -6.9138 -6.9138 -6.8758 -6.8758 -6.8402 -6.8402 -6.8078 -6.8078 -6.7465 -6.7465 -6.7053 -6.7053 1.3418 1.3418 2.3950 2.3950 4.5841 4.5841 6.1024 6.1024 7.7017 7.7017 10.1542 10.1542 11.1182 11.1182 11.3478 11.3478 k = 0.6065-0.0187 0.3780 ( 6154 PWs) bands (ev): -45.6171 -45.6171 -45.6147 -45.6147 -17.6827 -17.6827 -17.6728 -17.6728 -17.5228 -17.5228 -17.4977 -17.4977 -17.4873 -17.4873 -17.4665 -17.4665 -7.7263 -7.7263 -7.7049 -7.7049 -7.6855 -7.6855 -7.6560 -7.6560 -6.9138 -6.9138 -6.8754 -6.8754 -6.8391 -6.8391 -6.8098 -6.8098 -6.7462 -6.7462 -6.7049 -6.7049 1.3915 1.3915 2.3539 2.3539 4.5658 4.5658 6.0696 6.0696 7.6698 7.6698 10.0471 10.0471 11.2470 11.2470 11.4699 11.4699 k = 0.6111-0.0321 0.3856 ( 6164 PWs) bands (ev): -45.6170 -45.6170 -45.6149 -45.6149 -17.6824 -17.6824 -17.6732 -17.6732 -17.5227 -17.5227 -17.4981 -17.4981 -17.4869 -17.4869 -17.4666 -17.4666 -7.7262 -7.7262 -7.7053 -7.7053 -7.6851 -7.6851 -7.6562 -7.6562 -6.9137 -6.9137 -6.8752 -6.8752 -6.8381 -6.8381 -6.8116 -6.8116 -6.7459 -6.7459 -6.7047 -6.7047 1.4401 1.4401 2.3104 2.3104 4.5579 4.5579 6.0391 6.0391 7.6404 7.6404 9.9331 9.9331 11.3763 11.3763 11.5865 11.5865 k = 0.6157-0.0454 0.3931 ( 6166 PWs) bands (ev): -45.6169 -45.6169 -45.6149 -45.6149 -17.6820 -17.6820 -17.6737 -17.6737 -17.5225 -17.5225 -17.4986 -17.4986 -17.4865 -17.4865 -17.4667 -17.4667 -7.7260 -7.7260 -7.7057 -7.7057 -7.6847 -7.6847 -7.6564 -7.6564 -6.9135 -6.9135 -6.8752 -6.8752 -6.8372 -6.8372 -6.8131 -6.8131 -6.7456 -6.7456 -6.7045 -6.7045 1.4859 1.4859 2.2667 2.2667 4.5597 4.5597 6.0108 6.0108 7.6136 7.6136 9.8163 9.8163 11.4974 11.4974 11.6936 11.6936 k = 0.6204-0.0588 0.4007 ( 6172 PWs) bands (ev): -45.6168 -45.6168 -45.6150 -45.6150 -17.6818 -17.6818 -17.6740 -17.6740 -17.5224 -17.5224 -17.4991 -17.4991 -17.4860 -17.4860 -17.4668 -17.4668 -7.7258 -7.7258 -7.7061 -7.7061 -7.6843 -7.6843 -7.6567 -7.6567 -6.9134 -6.9134 -6.8753 -6.8753 -6.8364 -6.8364 -6.8143 -6.8143 -6.7452 -6.7452 -6.7045 -6.7045 1.5262 1.5262 2.2261 2.2261 4.5706 4.5706 5.9850 5.9850 7.5896 7.5896 9.6991 9.6991 11.6019 11.6019 11.7876 11.7876 k = 0.6250-0.0722 0.4082 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.6250-0.0722 0.4082 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.6172-0.0677 0.4210 ( 6165 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9132 -6.9132 -6.8755 -6.8755 -6.8358 -6.8358 -6.8151 -6.8151 -6.7449 -6.7449 -6.7045 -6.7045 1.5586 1.5586 2.1924 2.1924 4.5912 4.5912 5.9486 5.9486 7.5861 7.5861 9.5836 9.5836 11.6625 11.6625 11.8353 11.8353 k = 0.6094-0.0631 0.4338 ( 6159 PWs) bands (ev): -45.6167 -45.6167 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4995 -17.4995 -17.4856 -17.4856 -17.4668 -17.4668 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9132 -6.9132 -6.8753 -6.8753 -6.8358 -6.8358 -6.8152 -6.8152 -6.7451 -6.7451 -6.7044 -6.7044 1.5627 1.5627 2.1901 2.1901 4.5950 4.5950 5.9115 5.9115 7.6370 7.6370 9.5866 9.5866 11.6059 11.6059 11.7565 11.7565 k = 0.6016-0.0586 0.4465 ( 6165 PWs) bands (ev): -45.6167 -45.6167 -45.6151 -45.6151 -17.6815 -17.6815 -17.6743 -17.6743 -17.5222 -17.5222 -17.4994 -17.4994 -17.4857 -17.4857 -17.4668 -17.4668 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6568 -7.6568 -6.9133 -6.9133 -6.8751 -6.8751 -6.8358 -6.8358 -6.8154 -6.8154 -6.7453 -6.7453 -6.7042 -6.7042 1.5696 1.5696 2.1862 2.1862 4.6013 4.6013 5.8545 5.8545 7.7170 7.7170 9.5915 9.5915 11.5223 11.5223 11.6495 11.6495 k = 0.5938-0.0541 0.4593 ( 6155 PWs) bands (ev): -45.6167 -45.6167 -45.6152 -45.6152 -17.6814 -17.6814 -17.6744 -17.6744 -17.5222 -17.5222 -17.4992 -17.4992 -17.4859 -17.4859 -17.4668 -17.4668 -7.7256 -7.7256 -7.7066 -7.7066 -7.6839 -7.6839 -7.6567 -7.6567 -6.9135 -6.9135 -6.8747 -6.8747 -6.8358 -6.8358 -6.8156 -6.8156 -6.7457 -6.7457 -6.7038 -6.7038 1.5792 1.5792 2.1805 2.1805 4.6101 4.6101 5.7831 5.7831 7.8208 7.8208 9.5982 9.5982 11.4207 11.4207 11.5284 11.5284 k = 0.5859-0.0496 0.4720 ( 6159 PWs) bands (ev): -45.6167 -45.6167 -45.6152 -45.6152 -17.6813 -17.6813 -17.6745 -17.6745 -17.5223 -17.5223 -17.4990 -17.4990 -17.4861 -17.4861 -17.4667 -17.4667 -7.7256 -7.7256 -7.7066 -7.7066 -7.6840 -7.6840 -7.6566 -7.6566 -6.9136 -6.9136 -6.8742 -6.8742 -6.8357 -6.8357 -6.8159 -6.8159 -6.7461 -6.7461 -6.7035 -6.7035 1.5915 1.5915 2.1731 2.1731 4.6214 4.6214 5.7023 5.7023 7.9433 7.9433 9.6068 9.6068 11.3080 11.3080 11.4006 11.4006 k = 0.5781-0.0451 0.4848 ( 6153 PWs) bands (ev): -45.6166 -45.6166 -45.6152 -45.6152 -17.6812 -17.6812 -17.6746 -17.6746 -17.5223 -17.5223 -17.4987 -17.4987 -17.4863 -17.4863 -17.4667 -17.4667 -7.7256 -7.7256 -7.7066 -7.7066 -7.6840 -7.6840 -7.6565 -7.6565 -6.9138 -6.9138 -6.8737 -6.8737 -6.8357 -6.8357 -6.8163 -6.8163 -6.7465 -6.7465 -6.7031 -6.7031 1.6065 1.6065 2.1636 2.1636 4.6351 4.6351 5.6162 5.6162 8.0806 8.0806 9.6171 9.6171 11.1888 11.1888 11.2699 11.2699 k = 0.5703-0.0406 0.4976 ( 6155 PWs) bands (ev): -45.6166 -45.6166 -45.6153 -45.6153 -17.6811 -17.6811 -17.6747 -17.6747 -17.5224 -17.5224 -17.4984 -17.4984 -17.4866 -17.4866 -17.4666 -17.4666 -7.7257 -7.7257 -7.7067 -7.7067 -7.6840 -7.6840 -7.6564 -7.6564 -6.9140 -6.9140 -6.8731 -6.8731 -6.8356 -6.8356 -6.8168 -6.8168 -6.7470 -6.7470 -6.7026 -6.7026 1.6243 1.6243 2.1519 2.1519 4.6513 4.6513 5.5281 5.5281 8.2295 8.2295 9.6289 9.6289 11.0661 11.0661 11.1384 11.1384 k = 0.5625-0.0361 0.5103 ( 6147 PWs) bands (ev): -45.6165 -45.6165 -45.6153 -45.6153 -17.6809 -17.6809 -17.6748 -17.6748 -17.5225 -17.5225 -17.4980 -17.4980 -17.4869 -17.4869 -17.4665 -17.4665 -7.7257 -7.7257 -7.7067 -7.7067 -7.6841 -7.6841 -7.6563 -7.6563 -6.9142 -6.9142 -6.8724 -6.8724 -6.8355 -6.8355 -6.8173 -6.8173 -6.7474 -6.7474 -6.7021 -6.7021 1.6448 1.6448 2.1377 2.1377 4.6699 4.6699 5.4405 5.4405 8.3875 8.3875 9.6419 9.6419 10.9421 10.9421 11.0073 11.0073 k = 0.5547-0.0316 0.5231 ( 6146 PWs) bands (ev): -45.6165 -45.6165 -45.6154 -45.6154 -17.6808 -17.6808 -17.6750 -17.6750 -17.5225 -17.5225 -17.4977 -17.4977 -17.4872 -17.4872 -17.4665 -17.4665 -7.7257 -7.7257 -7.7067 -7.7067 -7.6841 -7.6841 -7.6561 -7.6561 -6.9144 -6.9144 -6.8718 -6.8718 -6.8354 -6.8354 -6.8178 -6.8178 -6.7479 -6.7479 -6.7017 -6.7017 1.6681 1.6681 2.1209 2.1209 4.6907 4.6907 5.3552 5.3552 8.5527 8.5527 9.6559 9.6559 10.8184 10.8184 10.8778 10.8778 k = 0.5469-0.0271 0.5358 ( 6153 PWs) bands (ev): -45.6164 -45.6164 -45.6154 -45.6154 -17.6807 -17.6807 -17.6752 -17.6752 -17.5226 -17.5226 -17.4973 -17.4973 -17.4876 -17.4876 -17.4664 -17.4664 -7.7257 -7.7257 -7.7068 -7.7068 -7.6842 -7.6842 -7.6560 -7.6560 -6.9146 -6.9146 -6.8711 -6.8711 -6.8352 -6.8352 -6.8184 -6.8184 -6.7483 -6.7483 -6.7013 -6.7013 1.6940 1.6940 2.1011 2.1011 4.7139 4.7139 5.2739 5.2739 8.7235 8.7235 9.6704 9.6704 10.6963 10.6963 10.7508 10.7508 k = 0.5391-0.0226 0.5486 ( 6147 PWs) bands (ev): -45.6164 -45.6164 -45.6155 -45.6155 -17.6805 -17.6805 -17.6753 -17.6753 -17.5226 -17.5226 -17.4969 -17.4969 -17.4880 -17.4880 -17.4664 -17.4664 -7.7257 -7.7257 -7.7068 -7.7068 -7.6842 -7.6842 -7.6559 -7.6559 -6.9148 -6.9148 -6.8705 -6.8705 -6.8350 -6.8350 -6.8190 -6.8190 -6.7487 -6.7487 -6.7009 -6.7009 1.7227 1.7227 2.0781 2.0781 4.7391 4.7391 5.1978 5.1978 8.8980 8.8980 9.6846 9.6846 10.5771 10.5771 10.6273 10.6273 k = 0.5312-0.0180 0.5613 ( 6147 PWs) bands (ev): -45.6163 -45.6163 -45.6156 -45.6156 -17.6804 -17.6804 -17.6755 -17.6755 -17.5227 -17.5227 -17.4966 -17.4966 -17.4883 -17.4883 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6558 -7.6558 -6.9150 -6.9150 -6.8700 -6.8700 -6.8348 -6.8348 -6.8196 -6.8196 -6.7490 -6.7490 -6.7005 -6.7005 1.7540 1.7540 2.0517 2.0517 4.7662 4.7662 5.1279 5.1279 9.0743 9.0743 9.6975 9.6975 10.4621 10.4621 10.5094 10.5094 k = 0.5234-0.0135 0.5741 ( 6151 PWs) bands (ev): -45.6162 -45.6162 -45.6157 -45.6157 -17.6803 -17.6803 -17.6756 -17.6756 -17.5228 -17.5228 -17.4962 -17.4962 -17.4886 -17.4886 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6557 -7.6557 -6.9151 -6.9151 -6.8695 -6.8695 -6.8346 -6.8346 -6.8201 -6.8201 -6.7493 -6.7493 -6.7003 -6.7003 1.7880 1.7880 2.0218 2.0218 4.7948 4.7948 5.0653 5.0653 9.2483 9.2483 9.7077 9.7077 10.3532 10.3532 10.4002 10.4002 k = 0.5156-0.0090 0.5869 ( 6143 PWs) bands (ev): -45.6161 -45.6161 -45.6157 -45.6157 -17.6801 -17.6801 -17.6757 -17.6757 -17.5228 -17.5228 -17.4960 -17.4960 -17.4889 -17.4889 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6843 -7.6843 -7.6556 -7.6556 -6.9152 -6.9152 -6.8692 -6.8692 -6.8345 -6.8345 -6.8206 -6.8206 -6.7495 -6.7495 -6.7000 -6.7000 1.8245 1.8245 1.9883 1.9883 4.8238 4.8238 5.0117 5.0117 9.4116 9.4116 9.7143 9.7143 10.2551 10.2551 10.3042 10.3042 k = 0.5078-0.0045 0.5996 ( 6171 PWs) bands (ev): -45.6160 -45.6160 -45.6158 -45.6158 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4959 -17.4959 -17.4891 -17.4891 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8690 -6.8690 -6.8343 -6.8343 -6.8209 -6.8209 -6.7496 -6.7496 -6.6999 -6.6999 1.8631 1.8631 1.9515 1.9515 4.8499 4.8499 4.9708 4.9708 9.5397 9.5397 9.7215 9.7215 10.1825 10.1825 10.2273 10.2273 k = 0.5000-0.0000 0.6124 ( 6180 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4958 -17.4958 -17.4892 -17.4892 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8689 -6.8689 -6.8343 -6.8343 -6.8210 -6.8210 -6.7496 -6.7496 -6.6999 -6.6999 1.8938 1.8938 1.9214 1.9214 4.8622 4.8622 4.9534 4.9534 9.5853 9.5853 9.7329 9.7329 10.1713 10.1713 10.1767 10.1767 k = 0.5000-0.0000 0.6124 ( 6180 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6801 -17.6801 -17.6759 -17.6759 -17.5229 -17.5229 -17.4958 -17.4958 -17.4892 -17.4892 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8689 -6.8689 -6.8343 -6.8343 -6.8210 -6.8210 -6.7496 -6.7496 -6.6999 -6.6999 1.8938 1.8938 1.9214 1.9214 4.8622 4.8622 4.9534 4.9534 9.5853 9.5853 9.7329 9.7329 10.1713 10.1713 10.1767 10.1767 k = 0.5000 0.0093 0.5992 ( 6164 PWs) bands (ev): -45.6161 -45.6161 -45.6158 -45.6158 -17.6802 -17.6802 -17.6758 -17.6758 -17.5229 -17.5229 -17.4957 -17.4957 -17.4892 -17.4892 -17.4663 -17.4663 -7.7258 -7.7258 -7.7068 -7.7068 -7.6844 -7.6844 -7.6556 -7.6556 -6.9153 -6.9153 -6.8689 -6.8689 -6.8344 -6.8344 -6.8208 -6.8208 -6.7496 -6.7496 -6.6999 -6.6999 1.8423 1.8423 1.9726 1.9726 4.8384 4.8384 4.9824 4.9824 9.5592 9.5592 9.7445 9.7445 10.1263 10.1263 10.2410 10.2410 k = 0.5000 0.0186 0.5860 ( 6150 PWs) bands (ev): -45.6162 -45.6162 -45.6156 -45.6156 -17.6803 -17.6803 -17.6756 -17.6756 -17.5228 -17.5228 -17.4957 -17.4957 -17.4891 -17.4891 -17.4662 -17.4662 -7.7259 -7.7259 -7.7067 -7.7067 -7.6845 -7.6845 -7.6556 -7.6556 -6.9152 -6.9152 -6.8691 -6.8691 -6.8349 -6.8349 -6.8201 -6.8201 -6.7496 -6.7496 -6.7000 -6.7000 1.7792 1.7792 2.0345 2.0345 4.7984 4.7984 5.0381 5.0381 9.5025 9.5025 9.7527 9.7527 10.1115 10.1115 10.3187 10.3187 k = 0.5000 0.0279 0.5729 ( 6154 PWs) bands (ev): -45.6164 -45.6164 -45.6155 -45.6155 -17.6806 -17.6806 -17.6753 -17.6753 -17.5229 -17.5229 -17.4957 -17.4957 -17.4892 -17.4892 -17.4662 -17.4662 -7.7259 -7.7259 -7.7066 -7.7066 -7.6846 -7.6846 -7.6555 -7.6555 -6.9152 -6.9152 -6.8694 -6.8694 -6.8356 -6.8356 -6.8190 -6.8190 -6.7496 -6.7496 -6.7002 -6.7002 1.7161 1.7161 2.0956 2.0956 4.7603 4.7603 5.1024 5.1024 9.4355 9.4355 9.7335 9.7335 10.1372 10.1372 10.4030 10.4030 k = 0.5000 0.0372 0.5597 ( 6144 PWs) bands (ev): -45.6165 -45.6165 -45.6154 -45.6154 -17.6809 -17.6809 -17.6749 -17.6749 -17.5229 -17.5229 -17.4956 -17.4956 -17.4892 -17.4892 -17.4662 -17.4662 -7.7260 -7.7260 -7.7064 -7.7064 -7.6847 -7.6847 -7.6555 -7.6555 -6.9152 -6.9152 -6.8698 -6.8698 -6.8364 -6.8364 -6.8176 -6.8176 -6.7495 -6.7495 -6.7005 -6.7005 1.6535 1.6535 2.1549 2.1549 4.7277 4.7277 5.1719 5.1719 9.3650 9.3650 9.6913 9.6913 10.1944 10.1944 10.4914 10.4914 k = 0.5000 0.0466 0.5465 ( 6148 PWs) bands (ev): -45.6166 -45.6166 -45.6152 -45.6152 -17.6813 -17.6813 -17.6745 -17.6745 -17.5229 -17.5229 -17.4956 -17.4956 -17.4893 -17.4893 -17.4662 -17.4662 -7.7261 -7.7261 -7.7061 -7.7061 -7.6849 -7.6849 -7.6555 -7.6555 -6.9151 -6.9151 -6.8703 -6.8703 -6.8373 -6.8373 -6.8160 -6.8160 -6.7494 -6.7494 -6.7009 -6.7009 1.5919 1.5919 2.2119 2.2119 4.7022 4.7022 5.2454 5.2454 9.2937 9.2937 9.6376 9.6376 10.2698 10.2698 10.5824 10.5824 k = 0.5000 0.0559 0.5334 ( 6142 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6740 -17.6740 -17.5230 -17.5230 -17.4955 -17.4955 -17.4893 -17.4893 -17.4662 -17.4662 -7.7262 -7.7262 -7.7058 -7.7058 -7.6852 -7.6852 -7.6555 -7.6555 -6.9150 -6.9150 -6.8710 -6.8710 -6.8382 -6.8382 -6.8143 -6.8143 -6.7493 -6.7493 -6.7014 -6.7014 1.5315 1.5315 2.2658 2.2658 4.6845 4.6845 5.3221 5.3221 9.2226 9.2226 9.5800 9.5800 10.3557 10.3557 10.6746 10.6746 k = 0.5000 0.0652 0.5202 ( 6144 PWs) bands (ev): -45.6169 -45.6169 -45.6149 -45.6149 -17.6821 -17.6821 -17.6735 -17.6735 -17.5230 -17.5230 -17.4955 -17.4955 -17.4893 -17.4893 -17.4662 -17.4662 -7.7263 -7.7263 -7.7055 -7.7055 -7.6854 -7.6854 -7.6554 -7.6554 -6.9149 -6.9149 -6.8717 -6.8717 -6.8391 -6.8391 -6.8123 -6.8123 -6.7492 -6.7492 -6.7019 -6.7019 1.4725 1.4725 2.3161 2.3161 4.6756 4.6756 5.4016 5.4016 9.1521 9.1521 9.5220 9.5220 10.4481 10.4481 10.7667 10.7667 k = 0.5000 0.0745 0.5070 ( 6150 PWs) bands (ev): -45.6170 -45.6170 -45.6148 -45.6148 -17.6825 -17.6825 -17.6731 -17.6731 -17.5231 -17.5231 -17.4955 -17.4955 -17.4894 -17.4894 -17.4662 -17.4662 -7.7265 -7.7265 -7.7051 -7.7051 -7.6857 -7.6857 -7.6554 -7.6554 -6.9148 -6.9148 -6.8725 -6.8725 -6.8401 -6.8401 -6.8103 -6.8103 -6.7491 -6.7491 -6.7026 -6.7026 1.4151 1.4151 2.3622 2.3622 4.6759 4.6759 5.4834 5.4834 9.0825 9.0825 9.4656 9.4656 10.5450 10.5450 10.8565 10.8565 k = 0.5000 0.0838 0.4938 ( 6154 PWs) bands (ev): -45.6172 -45.6172 -45.6147 -45.6147 -17.6829 -17.6829 -17.6726 -17.6726 -17.5232 -17.5232 -17.4954 -17.4954 -17.4895 -17.4895 -17.4662 -17.4662 -7.7266 -7.7266 -7.7047 -7.7047 -7.6860 -7.6860 -7.6554 -7.6554 -6.9147 -6.9147 -6.8734 -6.8734 -6.8410 -6.8410 -6.8081 -6.8081 -6.7490 -6.7490 -6.7033 -6.7033 1.3595 1.3595 2.4036 2.4036 4.6862 4.6862 5.5670 5.5670 9.0138 9.0138 9.4118 9.4118 10.6452 10.6452 10.9413 10.9413 k = 0.5000 0.0931 0.4807 ( 6160 PWs) bands (ev): -45.6173 -45.6173 -45.6146 -45.6146 -17.6833 -17.6833 -17.6721 -17.6721 -17.5233 -17.5233 -17.4955 -17.4955 -17.4895 -17.4895 -17.4662 -17.4662 -7.7267 -7.7267 -7.7043 -7.7043 -7.6863 -7.6863 -7.6554 -7.6554 -6.9145 -6.9145 -6.8743 -6.8743 -6.8418 -6.8418 -6.8058 -6.8058 -6.7488 -6.7488 -6.7041 -6.7041 1.3057 1.3057 2.4400 2.4400 4.7066 4.7066 5.6521 5.6521 8.9460 8.9460 9.3614 9.3614 10.7474 10.7474 11.0163 11.0163 k = 0.5000 0.1024 0.4675 ( 6164 PWs) bands (ev): -45.6174 -45.6174 -45.6144 -45.6144 -17.6837 -17.6837 -17.6716 -17.6716 -17.5233 -17.5233 -17.4955 -17.4955 -17.4895 -17.4895 -17.4662 -17.4662 -7.7269 -7.7269 -7.7039 -7.7039 -7.6866 -7.6866 -7.6554 -7.6554 -6.9144 -6.9144 -6.8753 -6.8753 -6.8427 -6.8427 -6.8034 -6.8034 -6.7487 -6.7487 -6.7051 -6.7051 1.2540 1.2540 2.4712 2.4712 4.7375 4.7375 5.7381 5.7381 8.8789 8.8789 9.3148 9.3148 10.8494 10.8494 11.0752 11.0752 k = 0.5000 0.1117 0.4543 ( 6162 PWs) bands (ev): -45.6176 -45.6176 -45.6143 -45.6143 -17.6841 -17.6841 -17.6712 -17.6712 -17.5234 -17.5234 -17.4955 -17.4955 -17.4894 -17.4894 -17.4661 -17.4661 -7.7270 -7.7270 -7.7035 -7.7035 -7.6869 -7.6869 -7.6555 -7.6555 -6.9142 -6.9142 -6.8764 -6.8764 -6.8435 -6.8435 -6.8009 -6.8009 -6.7486 -6.7486 -6.7061 -6.7061 1.2043 1.2043 2.4971 2.4971 4.7789 4.7789 5.8248 5.8248 8.8123 8.8123 9.2726 9.2726 10.9436 10.9436 11.1128 11.1128 k = 0.5000 0.1211 0.4412 ( 6156 PWs) bands (ev): -45.6177 -45.6177 -45.6142 -45.6142 -17.6844 -17.6844 -17.6707 -17.6707 -17.5235 -17.5235 -17.4956 -17.4956 -17.4894 -17.4894 -17.4661 -17.4661 -7.7271 -7.7271 -7.7031 -7.7031 -7.6871 -7.6871 -7.6555 -7.6555 -6.9140 -6.9140 -6.8775 -6.8775 -6.8443 -6.8443 -6.7984 -6.7984 -6.7484 -6.7484 -6.7072 -6.7072 1.1569 1.1569 2.5179 2.5179 4.8307 4.8307 5.9115 5.9115 8.7458 8.7458 9.2350 9.2350 10.9954 10.9954 11.1507 11.1507 k = 0.5000 0.1304 0.4280 ( 6152 PWs) bands (ev): -45.6178 -45.6178 -45.6141 -45.6141 -17.6847 -17.6847 -17.6702 -17.6702 -17.5235 -17.5235 -17.4957 -17.4957 -17.4893 -17.4893 -17.4661 -17.4661 -7.7272 -7.7272 -7.7027 -7.7027 -7.6874 -7.6874 -7.6556 -7.6556 -6.9138 -6.9138 -6.8786 -6.8786 -6.8451 -6.8451 -6.7958 -6.7958 -6.7483 -6.7483 -6.7084 -6.7084 1.1117 1.1117 2.5338 2.5338 4.8925 4.8925 5.9978 5.9978 8.6792 8.6792 9.2024 9.2024 10.9564 10.9564 11.2330 11.2330 k = 0.5000 0.1397 0.4148 ( 6162 PWs) bands (ev): -45.6179 -45.6179 -45.6140 -45.6140 -17.6851 -17.6851 -17.6698 -17.6698 -17.5237 -17.5237 -17.4958 -17.4958 -17.4892 -17.4892 -17.4661 -17.4661 -7.7273 -7.7273 -7.7024 -7.7024 -7.6875 -7.6875 -7.6558 -7.6558 -6.9136 -6.9136 -6.8797 -6.8797 -6.8458 -6.8458 -6.7931 -6.7931 -6.7481 -6.7481 -6.7097 -6.7097 1.0689 1.0689 2.5452 2.5452 4.9639 4.9639 6.0832 6.0832 8.6119 8.6119 9.1752 9.1752 10.8566 10.8566 11.3386 11.3386 k = 0.5000 0.1490 0.4017 ( 6160 PWs) bands (ev): -45.6180 -45.6180 -45.6139 -45.6139 -17.6854 -17.6854 -17.6694 -17.6694 -17.5237 -17.5237 -17.4960 -17.4960 -17.4890 -17.4890 -17.4661 -17.4661 -7.7273 -7.7273 -7.7021 -7.7021 -7.6877 -7.6877 -7.6559 -7.6559 -6.9134 -6.9134 -6.8809 -6.8809 -6.8465 -6.8465 -6.7903 -6.7903 -6.7480 -6.7480 -6.7111 -6.7111 1.0284 1.0284 2.5527 2.5527 5.0443 5.0443 6.1671 6.1671 8.5433 8.5433 9.1536 9.1536 10.7269 10.7269 11.4505 11.4505 k = 0.5000 0.1583 0.3885 ( 6162 PWs) bands (ev): -45.6181 -45.6181 -45.6138 -45.6138 -17.6857 -17.6857 -17.6690 -17.6690 -17.5238 -17.5238 -17.4961 -17.4961 -17.4888 -17.4888 -17.4661 -17.4661 -7.7274 -7.7274 -7.7018 -7.7018 -7.6877 -7.6877 -7.6561 -7.6561 -6.9132 -6.9132 -6.8820 -6.8820 -6.8472 -6.8472 -6.7875 -6.7875 -6.7478 -6.7478 -6.7126 -6.7126 0.9904 0.9904 2.5568 2.5568 5.1332 5.1332 6.2489 6.2489 8.4727 8.4727 9.1380 9.1380 10.5835 10.5835 11.5635 11.5635 k = 0.5000 0.1676 0.3753 ( 6164 PWs) bands (ev): -45.6182 -45.6182 -45.6137 -45.6137 -17.6860 -17.6860 -17.6686 -17.6686 -17.5239 -17.5239 -17.4963 -17.4963 -17.4887 -17.4887 -17.4661 -17.4661 -7.7274 -7.7274 -7.7016 -7.7016 -7.6878 -7.6878 -7.6562 -7.6562 -6.9129 -6.9129 -6.8831 -6.8831 -6.8478 -6.8478 -6.7847 -6.7847 -6.7477 -6.7477 -6.7143 -6.7143 0.9549 0.9549 2.5581 2.5581 5.2298 5.2298 6.3281 6.3281 8.3994 8.3994 9.1286 9.1286 10.4358 10.4358 11.6728 11.6728 k = 0.5000 0.1769 0.3622 ( 6170 PWs) bands (ev): -45.6183 -45.6183 -45.6136 -45.6136 -17.6863 -17.6863 -17.6682 -17.6682 -17.5240 -17.5240 -17.4965 -17.4965 -17.4885 -17.4885 -17.4661 -17.4661 -7.7275 -7.7275 -7.7015 -7.7015 -7.6877 -7.6877 -7.6565 -7.6565 -6.9127 -6.9127 -6.8842 -6.8842 -6.8484 -6.8484 -6.7818 -6.7818 -6.7475 -6.7475 -6.7160 -6.7160 0.9219 0.9219 2.5572 2.5572 5.3335 5.3335 6.4039 6.4039 8.3224 8.3224 9.1256 9.1256 10.2897 10.2897 11.7690 11.7690 k = 0.5000 0.1862 0.3490 ( 6174 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6865 -17.6865 -17.6679 -17.6679 -17.5240 -17.5240 -17.4967 -17.4967 -17.4883 -17.4883 -17.4662 -17.4662 -7.7275 -7.7275 -7.7014 -7.7014 -7.6877 -7.6877 -7.6567 -7.6567 -6.9125 -6.9125 -6.8852 -6.8852 -6.8489 -6.8489 -6.7789 -6.7789 -6.7474 -6.7474 -6.7177 -6.7177 0.8914 0.8914 2.5544 2.5544 5.4436 5.4436 6.4759 6.4759 8.2409 8.2409 9.1291 9.1291 10.1492 10.1492 11.8264 11.8264 k = 0.5000 0.1956 0.3358 ( 6170 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6867 -17.6867 -17.6676 -17.6676 -17.5241 -17.5241 -17.4969 -17.4969 -17.4882 -17.4882 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6875 -7.6875 -7.6569 -7.6569 -6.9122 -6.9122 -6.8862 -6.8862 -6.8494 -6.8494 -6.7760 -6.7760 -6.7473 -6.7473 -6.7196 -6.7196 0.8635 0.8635 2.5505 2.5505 5.5595 5.5595 6.5433 6.5433 8.1541 8.1541 9.1391 9.1391 10.0169 10.0169 11.8030 11.8030 k = 0.5000 0.2049 0.3226 ( 6172 PWs) bands (ev): -45.6185 -45.6185 -45.6134 -45.6134 -17.6870 -17.6870 -17.6673 -17.6673 -17.5241 -17.5241 -17.4971 -17.4971 -17.4880 -17.4880 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6873 -7.6873 -7.6572 -7.6572 -6.9120 -6.9120 -6.8871 -6.8871 -6.8499 -6.8499 -6.7731 -6.7731 -6.7471 -6.7471 -6.7216 -6.7216 0.8382 0.8382 2.5457 2.5457 5.6805 5.6805 6.6057 6.6057 8.0610 8.0610 9.1552 9.1552 9.8951 9.8951 11.7098 11.7098 k = 0.5000 0.2142 0.3095 ( 6168 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6871 -17.6871 -17.6670 -17.6670 -17.5242 -17.5242 -17.4973 -17.4973 -17.4878 -17.4878 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6871 -7.6871 -7.6574 -7.6574 -6.9117 -6.9117 -6.8879 -6.8879 -6.8503 -6.8503 -6.7702 -6.7702 -6.7470 -6.7470 -6.7237 -6.7237 0.8156 0.8156 2.5405 2.5405 5.8061 5.8061 6.6626 6.6626 7.9612 7.9612 9.1770 9.1770 9.7853 9.7853 11.5909 11.5909 k = 0.5000 0.2235 0.2963 ( 6166 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6873 -17.6873 -17.6668 -17.6668 -17.5242 -17.5242 -17.4974 -17.4974 -17.4876 -17.4876 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6869 -7.6869 -7.6576 -7.6576 -6.9115 -6.9115 -6.8887 -6.8887 -6.8507 -6.8507 -6.7674 -6.7674 -6.7469 -6.7469 -6.7258 -6.7258 0.7955 0.7955 2.5351 2.5351 5.9354 5.9354 6.7135 6.7135 7.8545 7.8545 9.2035 9.2035 9.6887 9.6887 11.4679 11.4679 k = 0.5000 0.2328 0.2831 ( 6162 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6874 -17.6874 -17.6666 -17.6666 -17.5242 -17.5242 -17.4976 -17.4976 -17.4875 -17.4875 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6867 -7.6867 -7.6579 -7.6579 -6.9113 -6.9113 -6.8894 -6.8894 -6.8511 -6.8511 -6.7646 -6.7646 -6.7467 -6.7467 -6.7279 -6.7279 0.7781 0.7781 2.5300 2.5300 6.0679 6.0679 6.7584 6.7584 7.7409 7.7409 9.2335 9.2335 9.6059 9.6059 11.3496 11.3496 k = 0.5000 0.2421 0.2700 ( 6168 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6875 -17.6875 -17.6664 -17.6664 -17.5242 -17.5242 -17.4977 -17.4977 -17.4874 -17.4874 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6865 -7.6865 -7.6581 -7.6581 -6.9111 -6.9111 -6.8900 -6.8900 -6.8514 -6.8514 -6.7619 -6.7619 -6.7465 -6.7465 -6.7301 -6.7301 0.7634 0.7634 2.5253 2.5253 6.2025 6.2025 6.7970 6.7970 7.6211 7.6211 9.2648 9.2648 9.5375 9.5375 11.2406 11.2406 k = 0.5000 0.2514 0.2568 ( 6174 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6876 -17.6876 -17.6663 -17.6663 -17.5243 -17.5243 -17.4979 -17.4979 -17.4873 -17.4873 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6863 -7.6863 -7.6582 -7.6582 -6.9110 -6.9110 -6.8905 -6.8905 -6.8516 -6.8516 -6.7594 -6.7594 -6.7463 -6.7463 -6.7323 -6.7323 0.7513 0.7513 2.5212 2.5212 6.3382 6.3382 6.8296 6.8296 7.4960 7.4960 9.2945 9.2945 9.4841 9.4841 11.1444 11.1444 k = 0.5000 0.2607 0.2436 ( 6168 PWs) bands (ev): -45.6187 -45.6187 -45.6131 -45.6131 -17.6877 -17.6877 -17.6662 -17.6662 -17.5243 -17.5243 -17.4979 -17.4979 -17.4872 -17.4872 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6861 -7.6861 -7.6584 -7.6584 -6.9108 -6.9108 -6.8910 -6.8910 -6.8518 -6.8518 -6.7571 -6.7571 -6.7460 -6.7460 -6.7345 -6.7345 0.7419 0.7419 2.5178 2.5178 6.4726 6.4726 6.8572 6.8572 7.3670 7.3670 9.3186 9.3186 9.4470 9.4470 11.0646 11.0646 k = 0.5000 0.2701 0.2305 ( 6166 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4980 -17.4980 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6860 -7.6860 -7.6585 -7.6585 -6.9107 -6.9107 -6.8912 -6.8912 -6.8519 -6.8519 -6.7553 -6.7553 -6.7456 -6.7456 -6.7364 -6.7364 0.7352 0.7352 2.5153 2.5153 6.6005 6.6005 6.8830 6.8830 7.2366 7.2366 9.3321 9.3321 9.4275 9.4275 11.0043 11.0043 k = 0.5000 0.2794 0.2173 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9107 -6.9107 -6.8914 -6.8914 -6.8520 -6.8520 -6.7541 -6.7541 -6.7451 -6.7451 -6.7379 -6.7379 0.7312 0.7312 2.5138 2.5138 6.7057 6.7057 6.9189 6.9189 7.1092 7.1092 9.3351 9.3351 9.4225 9.4225 10.9666 10.9666 k = 0.5000 0.2887 0.2041 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6660 -17.6660 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4663 -17.4663 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9106 -6.9106 -6.8915 -6.8915 -6.8520 -6.8520 -6.7536 -6.7536 -6.7449 -6.7449 -6.7385 -6.7385 0.7298 0.7298 2.5133 2.5133 6.7490 6.7490 6.9806 6.9806 7.0088 7.0088 9.3348 9.3348 9.4224 9.4224 10.9538 10.9538 k = 0.5000 0.2887 0.2041 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6660 -17.6660 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4663 -17.4663 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9106 -6.9106 -6.8915 -6.8915 -6.8520 -6.8520 -6.7536 -6.7536 -6.7449 -6.7449 -6.7385 -6.7385 0.7298 0.7298 2.5133 2.5133 6.7490 6.7490 6.9806 6.9806 7.0088 7.0088 9.3348 9.3348 9.4224 9.4224 10.9538 10.9538 k = 0.4954 0.2860 0.2192 ( 6164 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4981 -17.4981 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6859 -7.6859 -7.6586 -7.6586 -6.9107 -6.9107 -6.8914 -6.8914 -6.8520 -6.8520 -6.7541 -6.7541 -6.7451 -6.7451 -6.7379 -6.7379 0.7312 0.7312 2.5138 2.5138 6.7061 6.7061 6.9192 6.9192 7.1085 7.1085 9.3351 9.3351 9.4224 9.4224 10.9665 10.9665 k = 0.4907 0.2833 0.2344 ( 6165 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6661 -17.6661 -17.5243 -17.5243 -17.4980 -17.4980 -17.4870 -17.4870 -17.4662 -17.4662 -7.7274 -7.7274 -7.7016 -7.7016 -7.6860 -7.6860 -7.6585 -7.6585 -6.9107 -6.9107 -6.8912 -6.8912 -6.8519 -6.8519 -6.7553 -6.7553 -6.7456 -6.7456 -6.7364 -6.7364 0.7351 0.7351 2.5153 2.5153 6.6018 6.6018 6.8834 6.8834 7.2350 7.2350 9.3323 9.3323 9.4272 9.4272 11.0037 11.0037 k = 0.4861 0.2807 0.2495 ( 6169 PWs) bands (ev): -45.6188 -45.6188 -45.6131 -45.6131 -17.6877 -17.6877 -17.6662 -17.6662 -17.5243 -17.5243 -17.4979 -17.4979 -17.4872 -17.4872 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6861 -7.6861 -7.6584 -7.6584 -6.9108 -6.9108 -6.8910 -6.8910 -6.8518 -6.8518 -6.7571 -6.7571 -6.7460 -6.7460 -6.7345 -6.7345 0.7418 0.7418 2.5178 2.5178 6.4746 6.4746 6.8583 6.8583 7.3643 7.3643 9.3200 9.3200 9.4455 9.4455 11.0634 11.0634 k = 0.4815 0.2780 0.2646 ( 6172 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6876 -17.6876 -17.6663 -17.6663 -17.5243 -17.5243 -17.4978 -17.4978 -17.4873 -17.4873 -17.4662 -17.4662 -7.7274 -7.7274 -7.7015 -7.7015 -7.6863 -7.6863 -7.6582 -7.6582 -6.9109 -6.9109 -6.8906 -6.8906 -6.8516 -6.8516 -6.7593 -6.7593 -6.7463 -6.7463 -6.7324 -6.7324 0.7511 0.7511 2.5211 2.5211 6.3405 6.3405 6.8324 6.8324 7.4911 7.4911 9.2993 9.2993 9.4795 9.4795 11.1425 11.1425 k = 0.4769 0.2753 0.2797 ( 6172 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6875 -17.6875 -17.6664 -17.6664 -17.5243 -17.5243 -17.4977 -17.4977 -17.4874 -17.4874 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6865 -7.6865 -7.6581 -7.6581 -6.9111 -6.9111 -6.8901 -6.8901 -6.8514 -6.8514 -6.7618 -6.7618 -6.7465 -6.7465 -6.7302 -6.7302 0.7630 0.7630 2.5251 2.5251 6.2047 6.2047 6.8031 6.8031 7.6120 7.6120 9.2766 9.2766 9.5269 9.5269 11.2378 11.2378 k = 0.4722 0.2726 0.2948 ( 6166 PWs) bands (ev): -45.6187 -45.6187 -45.6132 -45.6132 -17.6874 -17.6874 -17.6666 -17.6666 -17.5242 -17.5242 -17.4976 -17.4976 -17.4875 -17.4875 -17.4662 -17.4662 -7.7274 -7.7274 -7.7014 -7.7014 -7.6867 -7.6867 -7.6579 -7.6579 -6.9113 -6.9113 -6.8895 -6.8895 -6.8511 -6.8511 -6.7645 -6.7645 -6.7467 -6.7467 -6.7280 -6.7280 0.7776 0.7776 2.5298 2.5298 6.0693 6.0693 6.7700 6.7700 7.7235 7.7235 9.2583 9.2583 9.5855 9.5855 11.3459 11.3459 k = 0.4676 0.2700 0.3100 ( 6170 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6873 -17.6873 -17.6668 -17.6668 -17.5242 -17.5242 -17.4975 -17.4975 -17.4876 -17.4876 -17.4662 -17.4662 -7.7275 -7.7275 -7.7013 -7.7013 -7.6869 -7.6869 -7.6576 -7.6576 -6.9115 -6.9115 -6.8888 -6.8888 -6.8507 -6.8507 -6.7673 -6.7673 -6.7468 -6.7468 -6.7259 -6.7259 0.7948 0.7948 2.5349 2.5349 5.9354 5.9354 6.7334 6.7334 7.8219 7.8219 9.2506 9.2506 9.6538 9.6538 11.4632 11.4632 k = 0.4630 0.2673 0.3251 ( 6162 PWs) bands (ev): -45.6186 -45.6186 -45.6133 -45.6133 -17.6871 -17.6871 -17.6670 -17.6670 -17.5241 -17.5241 -17.4973 -17.4973 -17.4878 -17.4878 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6871 -7.6871 -7.6574 -7.6574 -6.9117 -6.9117 -6.8880 -6.8880 -6.8504 -6.8504 -6.7701 -6.7701 -6.7469 -6.7469 -6.7238 -6.7238 0.8146 0.8146 2.5402 2.5402 5.8039 5.8039 6.6939 6.6939 7.9034 7.9034 9.2589 9.2589 9.7307 9.7307 11.5844 11.5844 k = 0.4583 0.2646 0.3402 ( 6175 PWs) bands (ev): -45.6185 -45.6185 -45.6134 -45.6134 -17.6870 -17.6870 -17.6673 -17.6673 -17.5241 -17.5241 -17.4971 -17.4971 -17.4880 -17.4880 -17.4662 -17.4662 -7.7275 -7.7275 -7.7013 -7.7013 -7.6873 -7.6873 -7.6572 -7.6572 -6.9119 -6.9119 -6.8871 -6.8871 -6.8499 -6.8499 -6.7730 -6.7730 -6.7470 -6.7470 -6.7218 -6.7218 0.8370 0.8370 2.5454 2.5454 5.6754 5.6754 6.6520 6.6520 7.9648 7.9648 9.2875 9.2875 9.8154 9.8154 11.6987 11.6987 k = 0.4537 0.2619 0.3553 ( 6167 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6867 -17.6867 -17.6676 -17.6676 -17.5241 -17.5241 -17.4969 -17.4969 -17.4881 -17.4881 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6875 -7.6875 -7.6569 -7.6569 -6.9122 -6.9122 -6.8862 -6.8862 -6.8495 -6.8495 -6.7759 -6.7759 -6.7471 -6.7471 -6.7198 -6.7198 0.8620 0.8620 2.5501 2.5501 5.5505 5.5505 6.6085 6.6085 8.0045 8.0045 9.3388 9.3388 9.9069 9.9069 11.7772 11.7772 k = 0.4491 0.2593 0.3704 ( 6167 PWs) bands (ev): -45.6184 -45.6184 -45.6135 -45.6135 -17.6865 -17.6865 -17.6679 -17.6679 -17.5240 -17.5240 -17.4968 -17.4968 -17.4883 -17.4883 -17.4661 -17.4661 -7.7275 -7.7275 -7.7013 -7.7013 -7.6877 -7.6877 -7.6567 -7.6567 -6.9124 -6.9124 -6.8853 -6.8853 -6.8489 -6.8489 -6.7788 -6.7788 -6.7472 -6.7472 -6.7180 -6.7180 0.8895 0.8895 2.5540 2.5540 5.4299 5.4299 6.5637 6.5637 8.0233 8.0233 9.4124 9.4124 10.0047 10.0047 11.7700 11.7700 k = 0.4444 0.2566 0.3856 ( 6165 PWs) bands (ev): -45.6183 -45.6183 -45.6136 -45.6136 -17.6863 -17.6863 -17.6682 -17.6682 -17.5239 -17.5239 -17.4966 -17.4966 -17.4884 -17.4884 -17.4661 -17.4661 -7.7275 -7.7275 -7.7014 -7.7014 -7.6877 -7.6877 -7.6565 -7.6565 -6.9126 -6.9126 -6.8843 -6.8843 -6.8484 -6.8484 -6.7817 -6.7817 -6.7473 -6.7473 -6.7162 -6.7162 0.9196 0.9196 2.5566 2.5566 5.3142 5.3142 6.5183 6.5183 8.0242 8.0242 9.5057 9.5057 10.1081 10.1081 11.6847 11.6847 k = 0.4398 0.2539 0.4007 ( 6165 PWs) bands (ev): -45.6182 -45.6182 -45.6137 -45.6137 -17.6860 -17.6860 -17.6686 -17.6686 -17.5239 -17.5239 -17.4965 -17.4965 -17.4886 -17.4886 -17.4661 -17.4661 -7.7274 -7.7274 -7.7016 -7.7016 -7.6878 -7.6878 -7.6563 -7.6563 -6.9129 -6.9129 -6.8833 -6.8833 -6.8478 -6.8478 -6.7846 -6.7846 -6.7473 -6.7473 -6.7146 -6.7146 0.9522 0.9522 2.5574 2.5574 5.2041 5.2041 6.4726 6.4726 8.0111 8.0111 9.6146 9.6146 10.2164 10.2164 11.5675 11.5675 k = 0.4352 0.2513 0.4158 ( 6166 PWs) bands (ev): -45.6181 -45.6181 -45.6138 -45.6138 -17.6858 -17.6858 -17.6689 -17.6689 -17.5238 -17.5238 -17.4963 -17.4963 -17.4887 -17.4887 -17.4661 -17.4661 -7.7274 -7.7274 -7.7018 -7.7018 -7.6878 -7.6878 -7.6561 -7.6561 -6.9131 -6.9131 -6.8823 -6.8823 -6.8471 -6.8471 -6.7875 -6.7875 -6.7473 -6.7473 -6.7131 -6.7131 0.9872 0.9872 2.5558 2.5558 5.1004 5.1004 6.4271 6.4271 7.9877 7.9877 9.7349 9.7349 10.3290 10.3290 11.4407 11.4407 k = 0.4306 0.2486 0.4309 ( 6159 PWs) bands (ev): -45.6180 -45.6180 -45.6139 -45.6139 -17.6855 -17.6855 -17.6693 -17.6693 -17.5237 -17.5237 -17.4962 -17.4962 -17.4888 -17.4888 -17.4661 -17.4661 -7.7273 -7.7273 -7.7020 -7.7020 -7.6877 -7.6877 -7.6560 -7.6560 -6.9133 -6.9133 -6.8812 -6.8812 -6.8464 -6.8464 -6.7903 -6.7903 -6.7473 -6.7473 -6.7117 -6.7117 1.0246 1.0246 2.5513 2.5513 5.0037 5.0037 6.3821 6.3821 7.9573 7.9573 9.8621 9.8621 10.4452 10.4452 11.3130 11.3130 k = 0.4259 0.2459 0.4460 ( 6159 PWs) bands (ev): -45.6179 -45.6179 -45.6140 -45.6140 -17.6851 -17.6851 -17.6697 -17.6697 -17.5236 -17.5236 -17.4962 -17.4962 -17.4888 -17.4888 -17.4662 -17.4662 -7.7273 -7.7273 -7.7023 -7.7023 -7.6876 -7.6876 -7.6559 -7.6559 -6.9134 -6.9134 -6.8802 -6.8802 -6.8457 -6.8457 -6.7930 -6.7930 -6.7473 -6.7473 -6.7104 -6.7104 1.0642 1.0642 2.5433 2.5433 4.9149 4.9149 6.3379 6.3379 7.9226 7.9226 9.9916 9.9916 10.5640 10.5640 11.1903 11.1903 k = 0.4213 0.2432 0.4612 ( 6153 PWs) bands (ev): -45.6178 -45.6178 -45.6141 -45.6141 -17.6848 -17.6848 -17.6702 -17.6702 -17.5235 -17.5235 -17.4962 -17.4962 -17.4887 -17.4887 -17.4662 -17.4662 -7.7272 -7.7272 -7.7026 -7.7026 -7.6874 -7.6874 -7.6558 -7.6558 -6.9136 -6.9136 -6.8793 -6.8793 -6.8449 -6.8449 -6.7957 -6.7957 -6.7472 -6.7472 -6.7092 -6.7092 1.1061 1.1061 2.5310 2.5310 4.8347 4.8347 6.2948 6.2948 7.8854 7.8854 10.1165 10.1165 10.6833 10.6833 11.0802 11.0802 k = 0.4167 0.2406 0.4763 ( 6157 PWs) bands (ev): -45.6177 -45.6177 -45.6142 -45.6142 -17.6845 -17.6845 -17.6706 -17.6706 -17.5234 -17.5234 -17.4963 -17.4963 -17.4886 -17.4886 -17.4662 -17.4662 -7.7271 -7.7271 -7.7029 -7.7029 -7.6872 -7.6872 -7.6557 -7.6557 -6.9137 -6.9137 -6.8784 -6.8784 -6.8440 -6.8440 -6.7984 -6.7984 -6.7471 -6.7471 -6.7082 -6.7082 1.1501 1.1501 2.5141 2.5141 4.7639 4.7639 6.2529 6.2529 7.8472 7.8472 10.2250 10.2250 10.7960 10.7960 11.0004 11.0004 k = 0.4120 0.2379 0.4914 ( 6156 PWs) bands (ev): -45.6176 -45.6176 -45.6143 -45.6143 -17.6841 -17.6841 -17.6710 -17.6710 -17.5233 -17.5233 -17.4965 -17.4965 -17.4885 -17.4885 -17.4662 -17.4662 -7.7270 -7.7270 -7.7033 -7.7033 -7.6869 -7.6869 -7.6557 -7.6557 -6.9138 -6.9138 -6.8776 -6.8776 -6.8431 -6.8431 -6.8009 -6.8009 -6.7470 -6.7470 -6.7073 -6.7073 1.1959 1.1959 2.4921 2.4921 4.7031 4.7031 6.2126 6.2126 7.8090 7.8090 10.2947 10.2947 10.8694 10.8694 11.0040 11.0040 k = 0.4074 0.2352 0.5065 ( 6160 PWs) bands (ev): -45.6175 -45.6175 -45.6144 -45.6144 -17.6838 -17.6838 -17.6715 -17.6715 -17.5232 -17.5232 -17.4967 -17.4967 -17.4883 -17.4883 -17.4663 -17.4663 -7.7268 -7.7268 -7.7037 -7.7037 -7.6866 -7.6866 -7.6557 -7.6557 -6.9138 -6.9138 -6.8769 -6.8769 -6.8422 -6.8422 -6.8034 -6.8034 -6.7469 -6.7469 -6.7065 -6.7065 1.2434 1.2434 2.4648 2.4648 4.6527 4.6527 6.1740 6.1740 7.7717 7.7717 10.3004 10.3004 10.9157 10.9157 11.1024 11.1024 k = 0.4028 0.2325 0.5217 ( 6160 PWs) bands (ev): -45.6174 -45.6174 -45.6145 -45.6145 -17.6834 -17.6834 -17.6720 -17.6720 -17.5231 -17.5231 -17.4970 -17.4970 -17.4880 -17.4880 -17.4663 -17.4663 -7.7267 -7.7267 -7.7041 -7.7041 -7.6863 -7.6863 -7.6558 -7.6558 -6.9139 -6.9139 -6.8762 -6.8762 -6.8412 -6.8412 -6.8057 -6.8057 -6.7467 -6.7467 -6.7058 -6.7058 1.2922 1.2922 2.4323 2.4323 4.6130 4.6130 6.1372 6.1372 7.7357 7.7357 10.2450 10.2450 11.0017 11.0017 11.2236 11.2236 k = 0.3981 0.2299 0.5368 ( 6158 PWs) bands (ev): -45.6172 -45.6172 -45.6146 -45.6146 -17.6830 -17.6830 -17.6724 -17.6724 -17.5229 -17.5229 -17.4973 -17.4973 -17.4877 -17.4877 -17.4664 -17.4664 -7.7265 -7.7265 -7.7045 -7.7045 -7.6859 -7.6859 -7.6559 -7.6559 -6.9138 -6.9138 -6.8758 -6.8758 -6.8402 -6.8402 -6.8078 -6.8078 -6.7465 -6.7465 -6.7053 -6.7053 1.3418 1.3418 2.3950 2.3950 4.5841 4.5841 6.1024 6.1024 7.7017 7.7017 10.1542 10.1542 11.1182 11.1182 11.3478 11.3478 k = 0.3935 0.2272 0.5519 ( 6154 PWs) bands (ev): -45.6171 -45.6171 -45.6147 -45.6147 -17.6827 -17.6827 -17.6728 -17.6728 -17.5228 -17.5228 -17.4977 -17.4977 -17.4873 -17.4873 -17.4665 -17.4665 -7.7263 -7.7263 -7.7049 -7.7049 -7.6855 -7.6855 -7.6560 -7.6560 -6.9138 -6.9138 -6.8754 -6.8754 -6.8391 -6.8391 -6.8098 -6.8098 -6.7462 -6.7462 -6.7049 -6.7049 1.3915 1.3915 2.3539 2.3539 4.5658 4.5658 6.0696 6.0696 7.6698 7.6698 10.0471 10.0471 11.2470 11.2470 11.4699 11.4699 k = 0.3889 0.2245 0.5670 ( 6164 PWs) bands (ev): -45.6170 -45.6170 -45.6149 -45.6149 -17.6824 -17.6824 -17.6732 -17.6732 -17.5227 -17.5227 -17.4981 -17.4981 -17.4869 -17.4869 -17.4666 -17.4666 -7.7262 -7.7262 -7.7053 -7.7053 -7.6851 -7.6851 -7.6562 -7.6562 -6.9137 -6.9137 -6.8752 -6.8752 -6.8381 -6.8381 -6.8116 -6.8116 -6.7459 -6.7459 -6.7047 -6.7047 1.4401 1.4401 2.3104 2.3104 4.5579 4.5579 6.0391 6.0391 7.6404 7.6404 9.9331 9.9331 11.3763 11.3763 11.5865 11.5865 k = 0.3843 0.2219 0.5821 ( 6166 PWs) bands (ev): -45.6169 -45.6169 -45.6149 -45.6149 -17.6820 -17.6820 -17.6737 -17.6737 -17.5225 -17.5225 -17.4986 -17.4986 -17.4865 -17.4865 -17.4667 -17.4667 -7.7260 -7.7260 -7.7057 -7.7057 -7.6847 -7.6847 -7.6564 -7.6564 -6.9135 -6.9135 -6.8752 -6.8752 -6.8372 -6.8372 -6.8131 -6.8131 -6.7456 -6.7456 -6.7045 -6.7045 1.4859 1.4859 2.2667 2.2667 4.5597 4.5597 6.0108 6.0108 7.6136 7.6136 9.8163 9.8163 11.4974 11.4974 11.6936 11.6936 k = 0.3796 0.2192 0.5973 ( 6172 PWs) bands (ev): -45.6168 -45.6168 -45.6150 -45.6150 -17.6818 -17.6818 -17.6740 -17.6740 -17.5224 -17.5224 -17.4991 -17.4991 -17.4860 -17.4860 -17.4668 -17.4668 -7.7258 -7.7258 -7.7061 -7.7061 -7.6843 -7.6843 -7.6567 -7.6567 -6.9134 -6.9134 -6.8753 -6.8753 -6.8364 -6.8364 -6.8143 -6.8143 -6.7452 -6.7452 -6.7045 -6.7045 1.5262 1.5262 2.2261 2.2261 4.5706 4.5706 5.9850 5.9850 7.5896 7.5896 9.6991 9.6991 11.6019 11.6019 11.7876 11.7876 k = 0.3750 0.2165 0.6124 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.6250-0.0722 0.4082 ( 6169 PWs) bands (ev): -45.6168 -45.6168 -45.6151 -45.6151 -17.6816 -17.6816 -17.6742 -17.6742 -17.5222 -17.5222 -17.4996 -17.4996 -17.4855 -17.4855 -17.4669 -17.4669 -7.7256 -7.7256 -7.7065 -7.7065 -7.6839 -7.6839 -7.6569 -7.6569 -6.9131 -6.9131 -6.8756 -6.8756 -6.8358 -6.8358 -6.8150 -6.8150 -6.7449 -6.7449 -6.7046 -6.7046 1.5573 1.5573 2.1932 2.1932 4.5900 4.5900 5.9615 5.9615 7.5686 7.5686 9.5826 9.5826 11.6828 11.6828 11.8656 11.8656 k = 0.6172-0.0857 0.4082 ( 6166 PWs) bands (ev): -45.6167 -45.6167 -45.6152 -45.6152 -17.6812 -17.6812 -17.6746 -17.6746 -17.5219 -17.5219 -17.5005 -17.5005 -17.4847 -17.4847 -17.4671 -17.4671 -7.7252 -7.7252 -7.7072 -7.7072 -7.6831 -7.6831 -7.6574 -7.6574 -6.9127 -6.9127 -6.8762 -6.8762 -6.8351 -6.8351 -6.8158 -6.8158 -6.7442 -6.7442 -6.7049 -6.7049 1.5970 1.5970 2.1486 2.1486 4.6334 4.6334 5.9252 5.9252 7.5364 7.5364 9.3878 9.3878 11.7978 11.7978 11.9835 11.9835 k = 0.6094-0.0992 0.4082 ( 6162 PWs) bands (ev): -45.6166 -45.6166 -45.6153 -45.6153 -17.6809 -17.6809 -17.6749 -17.6749 -17.5215 -17.5215 -17.5014 -17.5014 -17.4838 -17.4838 -17.4673 -17.4673 -7.7248 -7.7248 -7.7078 -7.7078 -7.6824 -7.6824 -7.6579 -7.6579 -6.9122 -6.9122 -6.8771 -6.8771 -6.8343 -6.8343 -6.8166 -6.8166 -6.7434 -6.7434 -6.7054 -6.7054 1.6329 1.6329 2.1070 2.1070 4.6846 4.6846 5.8910 5.8910 7.5058 7.5058 9.1946 9.1946 11.9154 11.9154 12.1026 12.1026 k = 0.6016-0.1128 0.4082 ( 6142 PWs) bands (ev): -45.6165 -45.6165 -45.6154 -45.6154 -17.6806 -17.6806 -17.6752 -17.6752 -17.5211 -17.5211 -17.5022 -17.5022 -17.4830 -17.4830 -17.4676 -17.4676 -7.7244 -7.7244 -7.7085 -7.7085 -7.6816 -7.6816 -7.6585 -7.6585 -6.9116 -6.9116 -6.8781 -6.8781 -6.8335 -6.8335 -6.8172 -6.8172 -6.7424 -6.7424 -6.7060 -6.7060 1.6650 1.6650 2.0682 2.0682 4.7434 4.7434 5.8589 5.8589 7.4771 7.4771 9.0038 9.0038 12.0350 12.0350 12.2225 12.2225 k = 0.5938-0.1263 0.4082 ( 6146 PWs) bands (ev): -45.6164 -45.6164 -45.6154 -45.6154 -17.6803 -17.6803 -17.6755 -17.6755 -17.5207 -17.5207 -17.5032 -17.5032 -17.4822 -17.4822 -17.4679 -17.4679 -7.7239 -7.7239 -7.7092 -7.7092 -7.6808 -7.6808 -7.6592 -7.6592 -6.9109 -6.9109 -6.8792 -6.8792 -6.8327 -6.8327 -6.8178 -6.8178 -6.7414 -6.7414 -6.7067 -6.7067 1.6933 1.6933 2.0322 2.0322 4.8092 4.8092 5.8292 5.8292 7.4502 7.4502 8.8162 8.8162 12.1565 12.1565 12.3430 12.3430 k = 0.5859-0.1398 0.4082 ( 6154 PWs) bands (ev): -45.6163 -45.6163 -45.6155 -45.6155 -17.6800 -17.6800 -17.6758 -17.6758 -17.5202 -17.5202 -17.5041 -17.5041 -17.4814 -17.4814 -17.4682 -17.4682 -7.7235 -7.7235 -7.7098 -7.7098 -7.6799 -7.6799 -7.6599 -7.6599 -6.9102 -6.9102 -6.8805 -6.8805 -6.8319 -6.8319 -6.8183 -6.8183 -6.7403 -6.7403 -6.7075 -6.7075 1.7182 1.7182 1.9992 1.9992 4.8815 4.8815 5.8017 5.8017 7.4252 7.4252 8.6325 8.6325 12.2794 12.2794 12.4636 12.4636 k = 0.5781-0.1534 0.4082 ( 6154 PWs) bands (ev): -45.6163 -45.6163 -45.6156 -45.6156 -17.6798 -17.6798 -17.6761 -17.6761 -17.5198 -17.5198 -17.5050 -17.5050 -17.4806 -17.4806 -17.4686 -17.4686 -7.7230 -7.7230 -7.7105 -7.7105 -7.6791 -7.6791 -7.6606 -7.6606 -6.9094 -6.9094 -6.8819 -6.8819 -6.8310 -6.8310 -6.8188 -6.8188 -6.7390 -6.7390 -6.7085 -6.7085 1.7397 1.7397 1.9690 1.9690 4.9595 4.9595 5.7765 5.7765 7.4022 7.4022 8.4534 8.4534 12.4033 12.4033 12.5837 12.5837 k = 0.5703-0.1669 0.4082 ( 6158 PWs) bands (ev): -45.6162 -45.6162 -45.6157 -45.6157 -17.6795 -17.6795 -17.6764 -17.6764 -17.5193 -17.5193 -17.5059 -17.5059 -17.4798 -17.4798 -17.4690 -17.4690 -7.7225 -7.7225 -7.7112 -7.7112 -7.6782 -7.6782 -7.6614 -7.6614 -6.9085 -6.9085 -6.8834 -6.8834 -6.8302 -6.8302 -6.8193 -6.8193 -6.7377 -6.7377 -6.7096 -6.7096 1.7581 1.7581 1.9417 1.9417 5.0423 5.0423 5.7536 5.7536 7.3812 7.3812 8.2799 8.2799 12.5275 12.5275 12.7027 12.7027 k = 0.5625-0.1804 0.4082 ( 6154 PWs) bands (ev): -45.6162 -45.6162 -45.6157 -45.6157 -17.6793 -17.6793 -17.6766 -17.6766 -17.5187 -17.5187 -17.5068 -17.5068 -17.4790 -17.4790 -17.4694 -17.4694 -7.7219 -7.7219 -7.7119 -7.7119 -7.6773 -7.6773 -7.6622 -7.6622 -6.9075 -6.9075 -6.8849 -6.8849 -6.8294 -6.8294 -6.8198 -6.8198 -6.7363 -6.7363 -6.7107 -6.7107 1.7738 1.7738 1.9173 1.9173 5.1286 5.1286 5.7331 5.7331 7.3624 7.3624 8.1130 8.1130 12.6512 12.6512 12.8194 12.8194 k = 0.5547-0.1940 0.4082 ( 6164 PWs) bands (ev): -45.6161 -45.6161 -45.6158 -45.6158 -17.6791 -17.6791 -17.6768 -17.6768 -17.5182 -17.5182 -17.5077 -17.5077 -17.4783 -17.4783 -17.4698 -17.4698 -7.7214 -7.7214 -7.7125 -7.7125 -7.6764 -7.6764 -7.6631 -7.6631 -6.9065 -6.9065 -6.8865 -6.8865 -6.8286 -6.8286 -6.8202 -6.8202 -6.7348 -6.7348 -6.7120 -6.7120 1.7869 1.7869 1.8958 1.8958 5.2170 5.2170 5.7149 5.7149 7.3456 7.3456 7.9540 7.9540 12.7736 12.7736 12.9327 12.9327 k = 0.5469-0.2075 0.4082 ( 6160 PWs) bands (ev): -45.6161 -45.6161 -45.6158 -45.6158 -17.6789 -17.6789 -17.6770 -17.6770 -17.5176 -17.5176 -17.5086 -17.5086 -17.4776 -17.4776 -17.4703 -17.4703 -7.7208 -7.7208 -7.7132 -7.7132 -7.6755 -7.6755 -7.6640 -7.6640 -6.9054 -6.9054 -6.8881 -6.8881 -6.8278 -6.8278 -6.8207 -6.8207 -6.7332 -6.7332 -6.7134 -6.7134 1.7977 1.7977 1.8771 1.8771 5.3057 5.3057 5.6991 5.6991 7.3310 7.3310 7.8046 7.8046 12.8932 12.8932 13.0406 13.0406 k = 0.5391-0.2210 0.4082 ( 6156 PWs) bands (ev): -45.6160 -45.6160 -45.6158 -45.6158 -17.6787 -17.6787 -17.6772 -17.6772 -17.5169 -17.5169 -17.5094 -17.5094 -17.4768 -17.4768 -17.4708 -17.4708 -7.7202 -7.7202 -7.7139 -7.7139 -7.6745 -7.6745 -7.6649 -7.6649 -6.9042 -6.9042 -6.8897 -6.8897 -6.8271 -6.8271 -6.8212 -6.8212 -6.7315 -6.7315 -6.7148 -6.7148 1.8064 1.8064 1.8613 1.8613 5.3920 5.3920 5.6858 5.6858 7.3187 7.3187 7.6672 7.6672 13.0081 13.0081 13.1409 13.1409 k = 0.5312-0.2345 0.4082 ( 6156 PWs) bands (ev): -45.6160 -45.6160 -45.6159 -45.6159 -17.6786 -17.6786 -17.6773 -17.6773 -17.5163 -17.5163 -17.5103 -17.5103 -17.4761 -17.4761 -17.4713 -17.4713 -7.7196 -7.7196 -7.7145 -7.7145 -7.6736 -7.6736 -7.6658 -7.6658 -6.9030 -6.9030 -6.8913 -6.8913 -6.8264 -6.8264 -6.8217 -6.8217 -6.7299 -6.7299 -6.7164 -6.7164 1.8132 1.8132 1.8484 1.8484 5.4729 5.4729 5.6748 5.6748 7.3085 7.3085 7.5448 7.5448 13.1157 13.1157 13.2301 13.2301 k = 0.5234-0.2481 0.4082 ( 6146 PWs) bands (ev): -45.6160 -45.6160 -45.6159 -45.6159 -17.6784 -17.6784 -17.6775 -17.6775 -17.5156 -17.5156 -17.5111 -17.5111 -17.4754 -17.4754 -17.4718 -17.4718 -7.7190 -7.7190 -7.7152 -7.7152 -7.6726 -7.6726 -7.6668 -7.6668 -6.9017 -6.9017 -6.8928 -6.8928 -6.8257 -6.8257 -6.8222 -6.8222 -6.7282 -6.7282 -6.7179 -6.7179 1.8183 1.8183 1.8383 1.8383 5.5441 5.5441 5.6662 5.6662 7.3006 7.3006 7.4414 7.4414 13.2122 13.2122 13.3041 13.3041 k = 0.5156-0.2616 0.4082 ( 6150 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6782 -17.6782 -17.6776 -17.6776 -17.5149 -17.5149 -17.5119 -17.5119 -17.4748 -17.4748 -17.4723 -17.4723 -7.7184 -7.7184 -7.7158 -7.7158 -7.6716 -7.6716 -7.6677 -7.6677 -6.9003 -6.9003 -6.8944 -6.8944 -6.8250 -6.8250 -6.8227 -6.8227 -6.7264 -6.7264 -6.7196 -6.7196 1.8219 1.8219 1.8311 1.8311 5.6007 5.6007 5.6601 5.6601 7.2950 7.2950 7.3619 7.3619 13.2929 13.2929 13.3576 13.3576 k = 0.5078-0.2751 0.4082 ( 6162 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6781 -17.6781 -17.6778 -17.6778 -17.5142 -17.5142 -17.5127 -17.5127 -17.4742 -17.4742 -17.4729 -17.4729 -7.7178 -7.7178 -7.7165 -7.7165 -7.6706 -7.6706 -7.6687 -7.6687 -6.8989 -6.8989 -6.8959 -6.8959 -6.8244 -6.8244 -6.8232 -6.8232 -6.7247 -6.7247 -6.7213 -6.7213 1.8241 1.8241 1.8268 1.8268 5.6378 5.6378 5.6562 5.6562 7.2917 7.2917 7.3112 7.3112 13.3519 13.3519 13.3855 13.3855 k = 0.5000-0.2887 0.4082 ( 6130 PWs) bands (ev): -45.6159 -45.6159 -45.6159 -45.6159 -17.6779 -17.6779 -17.6779 -17.6779 -17.5134 -17.5134 -17.5134 -17.5134 -17.4735 -17.4735 -17.4735 -17.4735 -7.7171 -7.7171 -7.7171 -7.7171 -7.6697 -7.6697 -7.6697 -7.6697 -6.8974 -6.8974 -6.8974 -6.8974 -6.8238 -6.8238 -6.8238 -6.8238 -6.7230 -6.7230 -6.7230 -6.7230 1.8250 1.8250 1.8250 1.8250 5.6528 5.6528 5.6528 5.6528 7.2922 7.2922 7.2922 7.2922 13.3838 13.3838 13.3838 13.3838 Writing output data file NaIn.save init_run : 0.18s CPU 0.30s WALL ( 1 calls) electrons : 144.36s CPU 146.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 144.35s CPU 146.42s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 292 calls) cegterg : 130.46s CPU 131.97s WALL ( 301 calls) Called by sum_band: Called by *egterg: h_psi : 91.62s CPU 92.83s WALL ( 5160 calls) s_psi : 3.78s CPU 3.77s WALL ( 5160 calls) g_psi : 0.30s CPU 0.25s WALL ( 4567 calls) cdiaghg : 30.62s CPU 31.21s WALL ( 4859 calls) cegterg:over : 5.63s CPU 5.62s WALL ( 4567 calls) cegterg:upda : 4.70s CPU 4.78s WALL ( 4567 calls) cegterg:last : 3.05s CPU 2.98s WALL ( 885 calls) cdiaghg:chol : 1.74s CPU 1.80s WALL ( 4859 calls) cdiaghg:inve : 1.04s CPU 1.14s WALL ( 4859 calls) cdiaghg:para : 1.94s CPU 1.85s WALL ( 9718 calls) Called by h_psi: h_psi:vloc : 85.11s CPU 86.24s WALL ( 5160 calls) h_psi:vnl : 6.26s CPU 6.34s WALL ( 5160 calls) add_vuspsi : 2.97s CPU 3.04s WALL ( 5160 calls) General routines calbec : 3.28s CPU 3.28s WALL ( 5160 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 80.48s CPU 81.47s WALL ( 576872 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.29s WALL ( 584 calls) Parallel routines fft_scatter : 22.64s CPU 23.09s WALL ( 576895 calls) PWSCF : 2m41.99s CPU 2m54.55s WALL This run was terminated on: 19:36:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=