Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:25:10 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: ./Hf.save/ 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 18 13 4 295 173 32 Max 19 14 5 297 187 35 Sum 657 471 155 10641 6531 1205 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.7279 a.u. unit-cell volume = 144.6674 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.727927 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 425 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0055556 -0.0039284 0.0068041), wk = 0.0023529 k( 3) = ( 0.0111111 -0.0078567 0.0136083), wk = 0.0023529 k( 4) = ( 0.0166667 -0.0117851 0.0204124), wk = 0.0023529 k( 5) = ( 0.0222222 -0.0157135 0.0272165), wk = 0.0023529 k( 6) = ( 0.0277778 -0.0196419 0.0340207), wk = 0.0023529 k( 7) = ( 0.0333333 -0.0235702 0.0408248), wk = 0.0023529 k( 8) = ( 0.0388889 -0.0274986 0.0476290), wk = 0.0023529 k( 9) = ( 0.0444444 -0.0314270 0.0544331), wk = 0.0023529 k( 10) = ( 0.0500000 -0.0353553 0.0612372), wk = 0.0023529 k( 11) = ( 0.0555556 -0.0392837 0.0680414), wk = 0.0023529 k( 12) = ( 0.0611111 -0.0432121 0.0748455), wk = 0.0023529 k( 13) = ( 0.0666667 -0.0471405 0.0816497), wk = 0.0023529 k( 14) = ( 0.0722222 -0.0510688 0.0884538), wk = 0.0023529 k( 15) = ( 0.0777778 -0.0549972 0.0952579), wk = 0.0023529 k( 16) = ( 0.0833333 -0.0589256 0.1020621), wk = 0.0023529 k( 17) = ( 0.0888889 -0.0628539 0.1088662), wk = 0.0023529 k( 18) = ( 0.0944444 -0.0667823 0.1156703), wk = 0.0023529 k( 19) = ( 0.1000000 -0.0707107 0.1224745), wk = 0.0023529 k( 20) = ( 0.1055556 -0.0746391 0.1292786), wk = 0.0023529 k( 21) = ( 0.1111111 -0.0785674 0.1360828), wk = 0.0023529 k( 22) = ( 0.1166667 -0.0824958 0.1428869), wk = 0.0023529 k( 23) = ( 0.1222222 -0.0864242 0.1496910), wk = 0.0023529 k( 24) = ( 0.1277778 -0.0903525 0.1564952), wk = 0.0023529 k( 25) = ( 0.1333333 -0.0942809 0.1632993), wk = 0.0023529 k( 26) = ( 0.1388889 -0.0982093 0.1701035), wk = 0.0023529 k( 27) = ( 0.1444444 -0.1021376 0.1769076), wk = 0.0023529 k( 28) = ( 0.1500000 -0.1060660 0.1837117), wk = 0.0023529 k( 29) = ( 0.1555556 -0.1099944 0.1905159), wk = 0.0023529 k( 30) = ( 0.1611111 -0.1139228 0.1973200), wk = 0.0023529 k( 31) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0023529 k( 32) = ( 0.1722222 -0.1217795 0.2109283), wk = 0.0023529 k( 33) = ( 0.1777778 -0.1257079 0.2177324), wk = 0.0023529 k( 34) = ( 0.1833333 -0.1296362 0.2245366), wk = 0.0023529 k( 35) = ( 0.1888889 -0.1335646 0.2313407), wk = 0.0023529 k( 36) = ( 0.1944444 -0.1374930 0.2381448), wk = 0.0023529 k( 37) = ( 0.2000000 -0.1414214 0.2449490), wk = 0.0023529 k( 38) = ( 0.2055556 -0.1453497 0.2517531), wk = 0.0023529 k( 39) = ( 0.2111111 -0.1492781 0.2585572), wk = 0.0023529 k( 40) = ( 0.2166667 -0.1532065 0.2653614), wk = 0.0023529 k( 41) = ( 0.2222222 -0.1571348 0.2721655), wk = 0.0023529 k( 42) = ( 0.2277778 -0.1610632 0.2789697), wk = 0.0023529 k( 43) = ( 0.2333333 -0.1649916 0.2857738), wk = 0.0023529 k( 44) = ( 0.2388889 -0.1689200 0.2925779), wk = 0.0023529 k( 45) = ( 0.2444444 -0.1728483 0.2993821), wk = 0.0023529 k( 46) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0023529 k( 47) = ( 0.2555556 -0.1807051 0.3129904), wk = 0.0023529 k( 48) = ( 0.2611111 -0.1846334 0.3197945), wk = 0.0023529 k( 49) = ( 0.2666667 -0.1885618 0.3265986), wk = 0.0023529 k( 50) = ( 0.2722222 -0.1924902 0.3334028), wk = 0.0023529 k( 51) = ( 0.2777778 -0.1964186 0.3402069), wk = 0.0023529 k( 52) = ( 0.2833333 -0.2003469 0.3470110), wk = 0.0023529 k( 53) = ( 0.2888889 -0.2042753 0.3538152), wk = 0.0023529 k( 54) = ( 0.2944444 -0.2082037 0.3606193), wk = 0.0023529 k( 55) = ( 0.3000000 -0.2121320 0.3674235), wk = 0.0023529 k( 56) = ( 0.3055556 -0.2160604 0.3742276), wk = 0.0023529 k( 57) = ( 0.3111111 -0.2199888 0.3810317), wk = 0.0023529 k( 58) = ( 0.3166667 -0.2239171 0.3878359), wk = 0.0023529 k( 59) = ( 0.3222222 -0.2278455 0.3946400), wk = 0.0023529 k( 60) = ( 0.3277778 -0.2317739 0.4014442), wk = 0.0023529 k( 61) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0023529 k( 62) = ( 0.3388889 -0.2396306 0.4150524), wk = 0.0023529 k( 63) = ( 0.3444444 -0.2435590 0.4218566), wk = 0.0023529 k( 64) = ( 0.3500000 -0.2474874 0.4286607), wk = 0.0023529 k( 65) = ( 0.3555556 -0.2514157 0.4354648), wk = 0.0023529 k( 66) = ( 0.3611111 -0.2553441 0.4422690), wk = 0.0023529 k( 67) = ( 0.3666667 -0.2592725 0.4490731), wk = 0.0023529 k( 68) = ( 0.3722222 -0.2632009 0.4558773), wk = 0.0023529 k( 69) = ( 0.3777778 -0.2671292 0.4626814), wk = 0.0023529 k( 70) = ( 0.3833333 -0.2710576 0.4694855), wk = 0.0023529 k( 71) = ( 0.3888889 -0.2749860 0.4762897), wk = 0.0023529 k( 72) = ( 0.3944444 -0.2789143 0.4830938), wk = 0.0023529 k( 73) = ( 0.4000000 -0.2828427 0.4898979), wk = 0.0023529 k( 74) = ( 0.4055556 -0.2867711 0.4967021), wk = 0.0023529 k( 75) = ( 0.4111111 -0.2906995 0.5035062), wk = 0.0023529 k( 76) = ( 0.4166667 -0.2946278 0.5103104), wk = 0.0023529 k( 77) = ( 0.4222222 -0.2985562 0.5171145), wk = 0.0023529 k( 78) = ( 0.4277778 -0.3024846 0.5239186), wk = 0.0023529 k( 79) = ( 0.4333333 -0.3064129 0.5307228), wk = 0.0023529 k( 80) = ( 0.4388889 -0.3103413 0.5375269), wk = 0.0023529 k( 81) = ( 0.4444444 -0.3142697 0.5443310), wk = 0.0023529 k( 82) = ( 0.4500000 -0.3181981 0.5511352), wk = 0.0023529 k( 83) = ( 0.4555556 -0.3221264 0.5579393), wk = 0.0023529 k( 84) = ( 0.4611111 -0.3260548 0.5647435), wk = 0.0023529 k( 85) = ( 0.4666667 -0.3299832 0.5715476), wk = 0.0023529 k( 86) = ( 0.4722222 -0.3339115 0.5783517), wk = 0.0023529 k( 87) = ( 0.4777778 -0.3378399 0.5851559), wk = 0.0023529 k( 88) = ( 0.4833333 -0.3417683 0.5919600), wk = 0.0023529 k( 89) = ( 0.4888889 -0.3456966 0.5987642), wk = 0.0023529 k( 90) = ( 0.4944444 -0.3496250 0.6055683), wk = 0.0023529 k( 91) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0023529 k( 92) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0023529 k( 93) = ( 0.4921875 -0.3480291 0.6123724), wk = 0.0023529 k( 94) = ( 0.4843750 -0.3425048 0.6123724), wk = 0.0023529 k( 95) = ( 0.4765625 -0.3369806 0.6123724), wk = 0.0023529 k( 96) = ( 0.4687500 -0.3314563 0.6123724), wk = 0.0023529 k( 97) = ( 0.4609375 -0.3259320 0.6123724), wk = 0.0023529 k( 98) = ( 0.4531250 -0.3204078 0.6123724), wk = 0.0023529 k( 99) = ( 0.4453125 -0.3148835 0.6123724), wk = 0.0023529 k( 100) = ( 0.4375000 -0.3093592 0.6123724), wk = 0.0023529 k( 101) = ( 0.4296875 -0.3038349 0.6123724), wk = 0.0023529 k( 102) = ( 0.4218750 -0.2983107 0.6123724), wk = 0.0023529 k( 103) = ( 0.4140625 -0.2927864 0.6123724), wk = 0.0023529 k( 104) = ( 0.4062500 -0.2872621 0.6123724), wk = 0.0023529 k( 105) = ( 0.3984375 -0.2817379 0.6123724), wk = 0.0023529 k( 106) = ( 0.3906250 -0.2762136 0.6123724), wk = 0.0023529 k( 107) = ( 0.3828125 -0.2706893 0.6123724), wk = 0.0023529 k( 108) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0023529 k( 109) = ( 0.3671875 -0.2596408 0.6123724), wk = 0.0023529 k( 110) = ( 0.3593750 -0.2541165 0.6123724), wk = 0.0023529 k( 111) = ( 0.3515625 -0.2485922 0.6123724), wk = 0.0023529 k( 112) = ( 0.3437500 -0.2430680 0.6123724), wk = 0.0023529 k( 113) = ( 0.3359375 -0.2375437 0.6123724), wk = 0.0023529 k( 114) = ( 0.3281250 -0.2320194 0.6123724), wk = 0.0023529 k( 115) = ( 0.3203125 -0.2264951 0.6123724), wk = 0.0023529 k( 116) = ( 0.3125000 -0.2209709 0.6123724), wk = 0.0023529 k( 117) = ( 0.3046875 -0.2154466 0.6123724), wk = 0.0023529 k( 118) = ( 0.2968750 -0.2099223 0.6123724), wk = 0.0023529 k( 119) = ( 0.2890625 -0.2043981 0.6123724), wk = 0.0023529 k( 120) = ( 0.2812500 -0.1988738 0.6123724), wk = 0.0023529 k( 121) = ( 0.2734375 -0.1933495 0.6123724), wk = 0.0023529 k( 122) = ( 0.2656250 -0.1878252 0.6123724), wk = 0.0023529 k( 123) = ( 0.2578125 -0.1823010 0.6123724), wk = 0.0023529 k( 124) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0023529 k( 125) = ( 0.2421875 -0.1712524 0.6123724), wk = 0.0023529 k( 126) = ( 0.2343750 -0.1657282 0.6123724), wk = 0.0023529 k( 127) = ( 0.2265625 -0.1602039 0.6123724), wk = 0.0023529 k( 128) = ( 0.2187500 -0.1546796 0.6123724), wk = 0.0023529 k( 129) = ( 0.2109375 -0.1491553 0.6123724), wk = 0.0023529 k( 130) = ( 0.2031250 -0.1436311 0.6123724), wk = 0.0023529 k( 131) = ( 0.1953125 -0.1381068 0.6123724), wk = 0.0023529 k( 132) = ( 0.1875000 -0.1325825 0.6123724), wk = 0.0023529 k( 133) = ( 0.1796875 -0.1270582 0.6123724), wk = 0.0023529 k( 134) = ( 0.1718750 -0.1215340 0.6123724), wk = 0.0023529 k( 135) = ( 0.1640625 -0.1160097 0.6123724), wk = 0.0023529 k( 136) = ( 0.1562500 -0.1104854 0.6123724), wk = 0.0023529 k( 137) = ( 0.1484375 -0.1049612 0.6123724), wk = 0.0023529 k( 138) = ( 0.1406250 -0.0994369 0.6123724), wk = 0.0023529 k( 139) = ( 0.1328125 -0.0939126 0.6123724), wk = 0.0023529 k( 140) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0023529 k( 141) = ( 0.1171875 -0.0828641 0.6123724), wk = 0.0023529 k( 142) = ( 0.1093750 -0.0773398 0.6123724), wk = 0.0023529 k( 143) = ( 0.1015625 -0.0718155 0.6123724), wk = 0.0023529 k( 144) = ( 0.0937500 -0.0662913 0.6123724), wk = 0.0023529 k( 145) = ( 0.0859375 -0.0607670 0.6123724), wk = 0.0023529 k( 146) = ( 0.0781250 -0.0552427 0.6123724), wk = 0.0023529 k( 147) = ( 0.0703125 -0.0497184 0.6123724), wk = 0.0023529 k( 148) = ( 0.0625000 -0.0441942 0.6123724), wk = 0.0023529 k( 149) = ( 0.0546875 -0.0386699 0.6123724), wk = 0.0023529 k( 150) = ( 0.0468750 -0.0331456 0.6123724), wk = 0.0023529 k( 151) = ( 0.0390625 -0.0276214 0.6123724), wk = 0.0023529 k( 152) = ( 0.0312500 -0.0220971 0.6123724), wk = 0.0023529 k( 153) = ( 0.0234375 -0.0165728 0.6123724), wk = 0.0023529 k( 154) = ( 0.0156250 -0.0110485 0.6123724), wk = 0.0023529 k( 155) = ( 0.0078125 -0.0055243 0.6123724), wk = 0.0023529 k( 156) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0023529 k( 157) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0023529 k( 158) = ( 0.0000000 0.0000000 0.6028041), wk = 0.0023529 k( 159) = ( 0.0000000 0.0000000 0.5932358), wk = 0.0023529 k( 160) = ( 0.0000000 0.0000000 0.5836675), wk = 0.0023529 k( 161) = ( 0.0000000 0.0000000 0.5740992), wk = 0.0023529 k( 162) = ( 0.0000000 0.0000000 0.5645308), wk = 0.0023529 k( 163) = ( 0.0000000 0.0000000 0.5549625), wk = 0.0023529 k( 164) = ( 0.0000000 0.0000000 0.5453942), wk = 0.0023529 k( 165) = ( 0.0000000 0.0000000 0.5358259), wk = 0.0023529 k( 166) = ( 0.0000000 0.0000000 0.5262576), wk = 0.0023529 k( 167) = ( 0.0000000 0.0000000 0.5166892), wk = 0.0023529 k( 168) = ( 0.0000000 0.0000000 0.5071209), wk = 0.0023529 k( 169) = ( 0.0000000 0.0000000 0.4975526), wk = 0.0023529 k( 170) = ( 0.0000000 0.0000000 0.4879843), wk = 0.0023529 k( 171) = ( 0.0000000 0.0000000 0.4784160), wk = 0.0023529 k( 172) = ( 0.0000000 0.0000000 0.4688476), wk = 0.0023529 k( 173) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0023529 k( 174) = ( 0.0000000 0.0000000 0.4497110), wk = 0.0023529 k( 175) = ( 0.0000000 0.0000000 0.4401427), wk = 0.0023529 k( 176) = ( 0.0000000 0.0000000 0.4305744), wk = 0.0023529 k( 177) = ( 0.0000000 0.0000000 0.4210060), wk = 0.0023529 k( 178) = ( 0.0000000 0.0000000 0.4114377), wk = 0.0023529 k( 179) = ( 0.0000000 0.0000000 0.4018694), wk = 0.0023529 k( 180) = ( 0.0000000 0.0000000 0.3923011), wk = 0.0023529 k( 181) = ( 0.0000000 0.0000000 0.3827328), wk = 0.0023529 k( 182) = ( 0.0000000 0.0000000 0.3731645), wk = 0.0023529 k( 183) = ( 0.0000000 0.0000000 0.3635961), wk = 0.0023529 k( 184) = ( 0.0000000 0.0000000 0.3540278), wk = 0.0023529 k( 185) = ( 0.0000000 0.0000000 0.3444595), wk = 0.0023529 k( 186) = ( 0.0000000 0.0000000 0.3348912), wk = 0.0023529 k( 187) = ( 0.0000000 0.0000000 0.3253229), wk = 0.0023529 k( 188) = ( 0.0000000 0.0000000 0.3157545), wk = 0.0023529 k( 189) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0023529 k( 190) = ( 0.0000000 0.0000000 0.2966179), wk = 0.0023529 k( 191) = ( 0.0000000 0.0000000 0.2870496), wk = 0.0023529 k( 192) = ( 0.0000000 0.0000000 0.2774813), wk = 0.0023529 k( 193) = ( 0.0000000 0.0000000 0.2679129), wk = 0.0023529 k( 194) = ( 0.0000000 0.0000000 0.2583446), wk = 0.0023529 k( 195) = ( 0.0000000 0.0000000 0.2487763), wk = 0.0023529 k( 196) = ( 0.0000000 0.0000000 0.2392080), wk = 0.0023529 k( 197) = ( 0.0000000 0.0000000 0.2296397), wk = 0.0023529 k( 198) = ( 0.0000000 0.0000000 0.2200713), wk = 0.0023529 k( 199) = ( 0.0000000 0.0000000 0.2105030), wk = 0.0023529 k( 200) = ( 0.0000000 0.0000000 0.2009347), wk = 0.0023529 k( 201) = ( 0.0000000 0.0000000 0.1913664), wk = 0.0023529 k( 202) = ( 0.0000000 0.0000000 0.1817981), wk = 0.0023529 k( 203) = ( 0.0000000 0.0000000 0.1722297), wk = 0.0023529 k( 204) = ( 0.0000000 0.0000000 0.1626614), wk = 0.0023529 k( 205) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0023529 k( 206) = ( 0.0000000 0.0000000 0.1435248), wk = 0.0023529 k( 207) = ( 0.0000000 0.0000000 0.1339565), wk = 0.0023529 k( 208) = ( 0.0000000 0.0000000 0.1243882), wk = 0.0023529 k( 209) = ( 0.0000000 0.0000000 0.1148198), wk = 0.0023529 k( 210) = ( 0.0000000 0.0000000 0.1052515), wk = 0.0023529 k( 211) = ( 0.0000000 0.0000000 0.0956832), wk = 0.0023529 k( 212) = ( 0.0000000 0.0000000 0.0861149), wk = 0.0023529 k( 213) = ( 0.0000000 0.0000000 0.0765466), wk = 0.0023529 k( 214) = ( 0.0000000 0.0000000 0.0669782), wk = 0.0023529 k( 215) = ( 0.0000000 0.0000000 0.0574099), wk = 0.0023529 k( 216) = ( 0.0000000 0.0000000 0.0478416), wk = 0.0023529 k( 217) = ( 0.0000000 0.0000000 0.0382733), wk = 0.0023529 k( 218) = ( 0.0000000 0.0000000 0.0287050), wk = 0.0023529 k( 219) = ( 0.0000000 0.0000000 0.0191366), wk = 0.0023529 k( 220) = ( 0.0000000 0.0000000 0.0095683), wk = 0.0023529 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 223) = ( 0.0032051 0.0045327 0.0078509), wk = 0.0023529 k( 224) = ( 0.0064103 0.0090655 0.0157019), wk = 0.0023529 k( 225) = ( 0.0096154 0.0135982 0.0235528), wk = 0.0023529 k( 226) = ( 0.0128205 0.0181309 0.0314037), wk = 0.0023529 k( 227) = ( 0.0160256 0.0226637 0.0392546), wk = 0.0023529 k( 228) = ( 0.0192308 0.0271964 0.0471056), wk = 0.0023529 k( 229) = ( 0.0224359 0.0317292 0.0549565), wk = 0.0023529 k( 230) = ( 0.0256410 0.0362619 0.0628074), wk = 0.0023529 k( 231) = ( 0.0288462 0.0407946 0.0706583), wk = 0.0023529 k( 232) = ( 0.0320513 0.0453274 0.0785093), wk = 0.0023529 k( 233) = ( 0.0352564 0.0498601 0.0863602), wk = 0.0023529 k( 234) = ( 0.0384615 0.0543928 0.0942111), wk = 0.0023529 k( 235) = ( 0.0416667 0.0589256 0.1020621), wk = 0.0023529 k( 236) = ( 0.0448718 0.0634583 0.1099130), wk = 0.0023529 k( 237) = ( 0.0480769 0.0679910 0.1177639), wk = 0.0023529 k( 238) = ( 0.0512821 0.0725238 0.1256149), wk = 0.0023529 k( 239) = ( 0.0544872 0.0770565 0.1334658), wk = 0.0023529 k( 240) = ( 0.0576923 0.0815892 0.1413167), wk = 0.0023529 k( 241) = ( 0.0608974 0.0861220 0.1491677), wk = 0.0023529 k( 242) = ( 0.0641026 0.0906547 0.1570186), wk = 0.0023529 k( 243) = ( 0.0673077 0.0951874 0.1648695), wk = 0.0023529 k( 244) = ( 0.0705128 0.0997202 0.1727204), wk = 0.0023529 k( 245) = ( 0.0737180 0.1042529 0.1805714), wk = 0.0023529 k( 246) = ( 0.0769231 0.1087857 0.1884223), wk = 0.0023529 k( 247) = ( 0.0801282 0.1133184 0.1962732), wk = 0.0023529 k( 248) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0023529 k( 249) = ( 0.0865385 0.1223839 0.2119751), wk = 0.0023529 k( 250) = ( 0.0897436 0.1269166 0.2198260), wk = 0.0023529 k( 251) = ( 0.0929487 0.1314493 0.2276769), wk = 0.0023529 k( 252) = ( 0.0961538 0.1359821 0.2355279), wk = 0.0023529 k( 253) = ( 0.0993590 0.1405148 0.2433788), wk = 0.0023529 k( 254) = ( 0.1025641 0.1450475 0.2512297), wk = 0.0023529 k( 255) = ( 0.1057692 0.1495803 0.2590806), wk = 0.0023529 k( 256) = ( 0.1089744 0.1541130 0.2669316), wk = 0.0023529 k( 257) = ( 0.1121795 0.1586458 0.2747825), wk = 0.0023529 k( 258) = ( 0.1153846 0.1631785 0.2826334), wk = 0.0023529 k( 259) = ( 0.1185897 0.1677112 0.2904844), wk = 0.0023529 k( 260) = ( 0.1217949 0.1722440 0.2983353), wk = 0.0023529 k( 261) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0023529 k( 262) = ( 0.1282051 0.1813094 0.3140372), wk = 0.0023529 k( 263) = ( 0.1314103 0.1858422 0.3218881), wk = 0.0023529 k( 264) = ( 0.1346154 0.1903749 0.3297390), wk = 0.0023529 k( 265) = ( 0.1378205 0.1949076 0.3375899), wk = 0.0023529 k( 266) = ( 0.1410256 0.1994404 0.3454409), wk = 0.0023529 k( 267) = ( 0.1442308 0.2039731 0.3532918), wk = 0.0023529 k( 268) = ( 0.1474359 0.2085058 0.3611427), wk = 0.0023529 k( 269) = ( 0.1506410 0.2130386 0.3689937), wk = 0.0023529 k( 270) = ( 0.1538461 0.2175713 0.3768446), wk = 0.0023529 k( 271) = ( 0.1570513 0.2221041 0.3846955), wk = 0.0023529 k( 272) = ( 0.1602564 0.2266368 0.3925464), wk = 0.0023529 k( 273) = ( 0.1634615 0.2311695 0.4003974), wk = 0.0023529 k( 274) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0023529 k( 275) = ( 0.1698718 0.2402350 0.4160992), wk = 0.0023529 k( 276) = ( 0.1730769 0.2447677 0.4239501), wk = 0.0023529 k( 277) = ( 0.1762820 0.2493005 0.4318011), wk = 0.0023529 k( 278) = ( 0.1794872 0.2538332 0.4396520), wk = 0.0023529 k( 279) = ( 0.1826923 0.2583659 0.4475029), wk = 0.0023529 k( 280) = ( 0.1858974 0.2628987 0.4553539), wk = 0.0023529 k( 281) = ( 0.1891026 0.2674314 0.4632048), wk = 0.0023529 k( 282) = ( 0.1923077 0.2719641 0.4710557), wk = 0.0023529 k( 283) = ( 0.1955128 0.2764969 0.4789066), wk = 0.0023529 k( 284) = ( 0.1987180 0.2810296 0.4867576), wk = 0.0023529 k( 285) = ( 0.2019231 0.2855624 0.4946085), wk = 0.0023529 k( 286) = ( 0.2051282 0.2900951 0.5024594), wk = 0.0023529 k( 287) = ( 0.2083333 0.2946278 0.5103104), wk = 0.0023529 k( 288) = ( 0.2115385 0.2991606 0.5181613), wk = 0.0023529 k( 289) = ( 0.2147436 0.3036933 0.5260122), wk = 0.0023529 k( 290) = ( 0.2179487 0.3082260 0.5338632), wk = 0.0023529 k( 291) = ( 0.2211539 0.3127588 0.5417141), wk = 0.0023529 k( 292) = ( 0.2243590 0.3172915 0.5495650), wk = 0.0023529 k( 293) = ( 0.2275641 0.3218242 0.5574159), wk = 0.0023529 k( 294) = ( 0.2307692 0.3263570 0.5652669), wk = 0.0023529 k( 295) = ( 0.2339744 0.3308897 0.5731178), wk = 0.0023529 k( 296) = ( 0.2371795 0.3354225 0.5809687), wk = 0.0023529 k( 297) = ( 0.2403846 0.3399552 0.5888197), wk = 0.0023529 k( 298) = ( 0.2435897 0.3444879 0.5966706), wk = 0.0023529 k( 299) = ( 0.2467949 0.3490207 0.6045215), wk = 0.0023529 k( 300) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0023529 k( 301) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0023529 k( 302) = ( 0.2532051 0.3444879 0.6123724), wk = 0.0023529 k( 303) = ( 0.2564103 0.3354224 0.6123724), wk = 0.0023529 k( 304) = ( 0.2596154 0.3263570 0.6123724), wk = 0.0023529 k( 305) = ( 0.2628205 0.3172915 0.6123724), wk = 0.0023529 k( 306) = ( 0.2660256 0.3082260 0.6123724), wk = 0.0023529 k( 307) = ( 0.2692308 0.2991606 0.6123724), wk = 0.0023529 k( 308) = ( 0.2724359 0.2900951 0.6123724), wk = 0.0023529 k( 309) = ( 0.2756410 0.2810296 0.6123724), wk = 0.0023529 k( 310) = ( 0.2788462 0.2719641 0.6123724), wk = 0.0023529 k( 311) = ( 0.2820513 0.2628987 0.6123724), wk = 0.0023529 k( 312) = ( 0.2852564 0.2538332 0.6123724), wk = 0.0023529 k( 313) = ( 0.2884615 0.2447677 0.6123724), wk = 0.0023529 k( 314) = ( 0.2916667 0.2357023 0.6123724), wk = 0.0023529 k( 315) = ( 0.2948718 0.2266368 0.6123724), wk = 0.0023529 k( 316) = ( 0.2980769 0.2175713 0.6123724), wk = 0.0023529 k( 317) = ( 0.3012821 0.2085058 0.6123724), wk = 0.0023529 k( 318) = ( 0.3044872 0.1994404 0.6123724), wk = 0.0023529 k( 319) = ( 0.3076923 0.1903749 0.6123724), wk = 0.0023529 k( 320) = ( 0.3108974 0.1813094 0.6123724), wk = 0.0023529 k( 321) = ( 0.3141026 0.1722440 0.6123724), wk = 0.0023529 k( 322) = ( 0.3173077 0.1631785 0.6123724), wk = 0.0023529 k( 323) = ( 0.3205128 0.1541130 0.6123724), wk = 0.0023529 k( 324) = ( 0.3237179 0.1450475 0.6123724), wk = 0.0023529 k( 325) = ( 0.3269231 0.1359821 0.6123724), wk = 0.0023529 k( 326) = ( 0.3301282 0.1269166 0.6123724), wk = 0.0023529 k( 327) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0023529 k( 328) = ( 0.3365385 0.1087857 0.6123724), wk = 0.0023529 k( 329) = ( 0.3397436 0.0997202 0.6123724), wk = 0.0023529 k( 330) = ( 0.3429487 0.0906547 0.6123724), wk = 0.0023529 k( 331) = ( 0.3461538 0.0815892 0.6123724), wk = 0.0023529 k( 332) = ( 0.3493590 0.0725238 0.6123724), wk = 0.0023529 k( 333) = ( 0.3525641 0.0634583 0.6123724), wk = 0.0023529 k( 334) = ( 0.3557692 0.0543928 0.6123724), wk = 0.0023529 k( 335) = ( 0.3589744 0.0453274 0.6123724), wk = 0.0023529 k( 336) = ( 0.3621795 0.0362619 0.6123724), wk = 0.0023529 k( 337) = ( 0.3653846 0.0271964 0.6123724), wk = 0.0023529 k( 338) = ( 0.3685897 0.0181309 0.6123724), wk = 0.0023529 k( 339) = ( 0.3717949 0.0090655 0.6123724), wk = 0.0023529 k( 340) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0023529 k( 341) = ( 0.3782051 -0.0090655 0.6123724), wk = 0.0023529 k( 342) = ( 0.3814103 -0.0181309 0.6123724), wk = 0.0023529 k( 343) = ( 0.3846154 -0.0271964 0.6123724), wk = 0.0023529 k( 344) = ( 0.3878205 -0.0362619 0.6123724), wk = 0.0023529 k( 345) = ( 0.3910256 -0.0453274 0.6123724), wk = 0.0023529 k( 346) = ( 0.3942308 -0.0543928 0.6123724), wk = 0.0023529 k( 347) = ( 0.3974359 -0.0634583 0.6123724), wk = 0.0023529 k( 348) = ( 0.4006410 -0.0725238 0.6123724), wk = 0.0023529 k( 349) = ( 0.4038462 -0.0815892 0.6123724), wk = 0.0023529 k( 350) = ( 0.4070513 -0.0906547 0.6123724), wk = 0.0023529 k( 351) = ( 0.4102564 -0.0997202 0.6123724), wk = 0.0023529 k( 352) = ( 0.4134615 -0.1087857 0.6123724), wk = 0.0023529 k( 353) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0023529 k( 354) = ( 0.4198718 -0.1269166 0.6123724), wk = 0.0023529 k( 355) = ( 0.4230769 -0.1359821 0.6123724), wk = 0.0023529 k( 356) = ( 0.4262821 -0.1450475 0.6123724), wk = 0.0023529 k( 357) = ( 0.4294872 -0.1541130 0.6123724), wk = 0.0023529 k( 358) = ( 0.4326923 -0.1631785 0.6123724), wk = 0.0023529 k( 359) = ( 0.4358974 -0.1722440 0.6123724), wk = 0.0023529 k( 360) = ( 0.4391026 -0.1813094 0.6123724), wk = 0.0023529 k( 361) = ( 0.4423077 -0.1903749 0.6123724), wk = 0.0023529 k( 362) = ( 0.4455128 -0.1994404 0.6123724), wk = 0.0023529 k( 363) = ( 0.4487179 -0.2085058 0.6123724), wk = 0.0023529 k( 364) = ( 0.4519231 -0.2175713 0.6123724), wk = 0.0023529 k( 365) = ( 0.4551282 -0.2266368 0.6123724), wk = 0.0023529 k( 366) = ( 0.4583333 -0.2357023 0.6123724), wk = 0.0023529 k( 367) = ( 0.4615385 -0.2447677 0.6123724), wk = 0.0023529 k( 368) = ( 0.4647436 -0.2538332 0.6123724), wk = 0.0023529 k( 369) = ( 0.4679487 -0.2628987 0.6123724), wk = 0.0023529 k( 370) = ( 0.4711538 -0.2719641 0.6123724), wk = 0.0023529 k( 371) = ( 0.4743590 -0.2810296 0.6123724), wk = 0.0023529 k( 372) = ( 0.4775641 -0.2900951 0.6123724), wk = 0.0023529 k( 373) = ( 0.4807692 -0.2991606 0.6123724), wk = 0.0023529 k( 374) = ( 0.4839744 -0.3082260 0.6123724), wk = 0.0023529 k( 375) = ( 0.4871795 -0.3172915 0.6123724), wk = 0.0023529 k( 376) = ( 0.4903846 -0.3263570 0.6123724), wk = 0.0023529 k( 377) = ( 0.4935897 -0.3354224 0.6123724), wk = 0.0023529 k( 378) = ( 0.4967949 -0.3444879 0.6123724), wk = 0.0023529 k( 379) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0023529 k( 380) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0023529 k( 381) = ( 0.2444444 0.3456966 0.6123724), wk = 0.0023529 k( 382) = ( 0.2388889 0.3378399 0.6123724), wk = 0.0023529 k( 383) = ( 0.2333333 0.3299832 0.6123724), wk = 0.0023529 k( 384) = ( 0.2277778 0.3221264 0.6123724), wk = 0.0023529 k( 385) = ( 0.2222222 0.3142697 0.6123724), wk = 0.0023529 k( 386) = ( 0.2166667 0.3064129 0.6123724), wk = 0.0023529 k( 387) = ( 0.2111111 0.2985562 0.6123724), wk = 0.0023529 k( 388) = ( 0.2055556 0.2906995 0.6123724), wk = 0.0023529 k( 389) = ( 0.2000000 0.2828427 0.6123724), wk = 0.0023529 k( 390) = ( 0.1944444 0.2749860 0.6123724), wk = 0.0023529 k( 391) = ( 0.1888889 0.2671292 0.6123724), wk = 0.0023529 k( 392) = ( 0.1833333 0.2592725 0.6123724), wk = 0.0023529 k( 393) = ( 0.1777778 0.2514157 0.6123724), wk = 0.0023529 k( 394) = ( 0.1722222 0.2435590 0.6123724), wk = 0.0023529 k( 395) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0023529 k( 396) = ( 0.1611111 0.2278455 0.6123724), wk = 0.0023529 k( 397) = ( 0.1555556 0.2199888 0.6123724), wk = 0.0023529 k( 398) = ( 0.1500000 0.2121320 0.6123724), wk = 0.0023529 k( 399) = ( 0.1444444 0.2042753 0.6123724), wk = 0.0023529 k( 400) = ( 0.1388889 0.1964186 0.6123724), wk = 0.0023529 k( 401) = ( 0.1333333 0.1885618 0.6123724), wk = 0.0023529 k( 402) = ( 0.1277778 0.1807051 0.6123724), wk = 0.0023529 k( 403) = ( 0.1222222 0.1728483 0.6123724), wk = 0.0023529 k( 404) = ( 0.1166667 0.1649916 0.6123724), wk = 0.0023529 k( 405) = ( 0.1111111 0.1571348 0.6123724), wk = 0.0023529 k( 406) = ( 0.1055556 0.1492781 0.6123724), wk = 0.0023529 k( 407) = ( 0.1000000 0.1414214 0.6123724), wk = 0.0023529 k( 408) = ( 0.0944444 0.1335646 0.6123724), wk = 0.0023529 k( 409) = ( 0.0888889 0.1257079 0.6123724), wk = 0.0023529 k( 410) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0023529 k( 411) = ( 0.0777778 0.1099944 0.6123724), wk = 0.0023529 k( 412) = ( 0.0722222 0.1021376 0.6123724), wk = 0.0023529 k( 413) = ( 0.0666667 0.0942809 0.6123724), wk = 0.0023529 k( 414) = ( 0.0611111 0.0864242 0.6123724), wk = 0.0023529 k( 415) = ( 0.0555556 0.0785674 0.6123724), wk = 0.0023529 k( 416) = ( 0.0500000 0.0707107 0.6123724), wk = 0.0023529 k( 417) = ( 0.0444444 0.0628539 0.6123724), wk = 0.0023529 k( 418) = ( 0.0388889 0.0549972 0.6123724), wk = 0.0023529 k( 419) = ( 0.0333333 0.0471404 0.6123724), wk = 0.0023529 k( 420) = ( 0.0277778 0.0392837 0.6123724), wk = 0.0023529 k( 421) = ( 0.0222222 0.0314270 0.6123724), wk = 0.0023529 k( 422) = ( 0.0166667 0.0235702 0.6123724), wk = 0.0023529 k( 423) = ( 0.0111111 0.0157135 0.6123724), wk = 0.0023529 k( 424) = ( 0.0055556 0.0078567 0.6123724), wk = 0.0023529 k( 425) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0023529 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0055556 -0.0055556 0.0055556), wk = 0.0023529 k( 3) = ( 0.0111111 -0.0111111 0.0111111), wk = 0.0023529 k( 4) = ( 0.0166667 -0.0166667 0.0166667), wk = 0.0023529 k( 5) = ( 0.0222222 -0.0222222 0.0222222), wk = 0.0023529 k( 6) = ( 0.0277778 -0.0277778 0.0277778), wk = 0.0023529 k( 7) = ( 0.0333333 -0.0333333 0.0333333), wk = 0.0023529 k( 8) = ( 0.0388889 -0.0388889 0.0388889), wk = 0.0023529 k( 9) = ( 0.0444444 -0.0444444 0.0444444), wk = 0.0023529 k( 10) = ( 0.0500000 -0.0500000 0.0500000), wk = 0.0023529 k( 11) = ( 0.0555556 -0.0555556 0.0555556), wk = 0.0023529 k( 12) = ( 0.0611111 -0.0611111 0.0611111), wk = 0.0023529 k( 13) = ( 0.0666667 -0.0666667 0.0666667), wk = 0.0023529 k( 14) = ( 0.0722222 -0.0722222 0.0722222), wk = 0.0023529 k( 15) = ( 0.0777778 -0.0777778 0.0777778), wk = 0.0023529 k( 16) = ( 0.0833333 -0.0833333 0.0833333), wk = 0.0023529 k( 17) = ( 0.0888889 -0.0888889 0.0888889), wk = 0.0023529 k( 18) = ( 0.0944444 -0.0944444 0.0944444), wk = 0.0023529 k( 19) = ( 0.1000000 -0.1000000 0.1000000), wk = 0.0023529 k( 20) = ( 0.1055556 -0.1055556 0.1055556), wk = 0.0023529 k( 21) = ( 0.1111111 -0.1111111 0.1111111), wk = 0.0023529 k( 22) = ( 0.1166667 -0.1166667 0.1166667), wk = 0.0023529 k( 23) = ( 0.1222222 -0.1222222 0.1222222), wk = 0.0023529 k( 24) = ( 0.1277778 -0.1277778 0.1277778), wk = 0.0023529 k( 25) = ( 0.1333333 -0.1333333 0.1333333), wk = 0.0023529 k( 26) = ( 0.1388889 -0.1388889 0.1388889), wk = 0.0023529 k( 27) = ( 0.1444444 -0.1444444 0.1444444), wk = 0.0023529 k( 28) = ( 0.1500000 -0.1500000 0.1500000), wk = 0.0023529 k( 29) = ( 0.1555556 -0.1555556 0.1555556), wk = 0.0023529 k( 30) = ( 0.1611111 -0.1611111 0.1611111), wk = 0.0023529 k( 31) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0023529 k( 32) = ( 0.1722222 -0.1722222 0.1722222), wk = 0.0023529 k( 33) = ( 0.1777778 -0.1777778 0.1777778), wk = 0.0023529 k( 34) = ( 0.1833333 -0.1833333 0.1833333), wk = 0.0023529 k( 35) = ( 0.1888889 -0.1888889 0.1888889), wk = 0.0023529 k( 36) = ( 0.1944444 -0.1944444 0.1944444), wk = 0.0023529 k( 37) = ( 0.2000000 -0.2000000 0.2000000), wk = 0.0023529 k( 38) = ( 0.2055556 -0.2055556 0.2055556), wk = 0.0023529 k( 39) = ( 0.2111111 -0.2111111 0.2111111), wk = 0.0023529 k( 40) = ( 0.2166667 -0.2166667 0.2166667), wk = 0.0023529 k( 41) = ( 0.2222222 -0.2222222 0.2222222), wk = 0.0023529 k( 42) = ( 0.2277778 -0.2277778 0.2277778), wk = 0.0023529 k( 43) = ( 0.2333333 -0.2333333 0.2333333), wk = 0.0023529 k( 44) = ( 0.2388889 -0.2388889 0.2388889), wk = 0.0023529 k( 45) = ( 0.2444444 -0.2444444 0.2444444), wk = 0.0023529 k( 46) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0023529 k( 47) = ( 0.2555556 -0.2555556 0.2555556), wk = 0.0023529 k( 48) = ( 0.2611111 -0.2611111 0.2611111), wk = 0.0023529 k( 49) = ( 0.2666667 -0.2666667 0.2666667), wk = 0.0023529 k( 50) = ( 0.2722222 -0.2722222 0.2722222), wk = 0.0023529 k( 51) = ( 0.2777778 -0.2777778 0.2777778), wk = 0.0023529 k( 52) = ( 0.2833333 -0.2833333 0.2833333), wk = 0.0023529 k( 53) = ( 0.2888889 -0.2888889 0.2888889), wk = 0.0023529 k( 54) = ( 0.2944444 -0.2944444 0.2944444), wk = 0.0023529 k( 55) = ( 0.3000000 -0.3000000 0.3000000), wk = 0.0023529 k( 56) = ( 0.3055556 -0.3055556 0.3055556), wk = 0.0023529 k( 57) = ( 0.3111111 -0.3111111 0.3111111), wk = 0.0023529 k( 58) = ( 0.3166667 -0.3166667 0.3166667), wk = 0.0023529 k( 59) = ( 0.3222222 -0.3222222 0.3222222), wk = 0.0023529 k( 60) = ( 0.3277778 -0.3277778 0.3277778), wk = 0.0023529 k( 61) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0023529 k( 62) = ( 0.3388889 -0.3388889 0.3388889), wk = 0.0023529 k( 63) = ( 0.3444444 -0.3444444 0.3444444), wk = 0.0023529 k( 64) = ( 0.3500000 -0.3500000 0.3500000), wk = 0.0023529 k( 65) = ( 0.3555556 -0.3555556 0.3555556), wk = 0.0023529 k( 66) = ( 0.3611111 -0.3611111 0.3611111), wk = 0.0023529 k( 67) = ( 0.3666667 -0.3666667 0.3666667), wk = 0.0023529 k( 68) = ( 0.3722222 -0.3722222 0.3722222), wk = 0.0023529 k( 69) = ( 0.3777778 -0.3777778 0.3777778), wk = 0.0023529 k( 70) = ( 0.3833333 -0.3833333 0.3833333), wk = 0.0023529 k( 71) = ( 0.3888889 -0.3888889 0.3888889), wk = 0.0023529 k( 72) = ( 0.3944444 -0.3944444 0.3944444), wk = 0.0023529 k( 73) = ( 0.4000000 -0.4000000 0.4000000), wk = 0.0023529 k( 74) = ( 0.4055556 -0.4055556 0.4055556), wk = 0.0023529 k( 75) = ( 0.4111111 -0.4111111 0.4111111), wk = 0.0023529 k( 76) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0023529 k( 77) = ( 0.4222222 -0.4222222 0.4222222), wk = 0.0023529 k( 78) = ( 0.4277778 -0.4277778 0.4277778), wk = 0.0023529 k( 79) = ( 0.4333333 -0.4333333 0.4333333), wk = 0.0023529 k( 80) = ( 0.4388889 -0.4388889 0.4388889), wk = 0.0023529 k( 81) = ( 0.4444444 -0.4444444 0.4444444), wk = 0.0023529 k( 82) = ( 0.4500000 -0.4500000 0.4500000), wk = 0.0023529 k( 83) = ( 0.4555556 -0.4555556 0.4555556), wk = 0.0023529 k( 84) = ( 0.4611111 -0.4611111 0.4611111), wk = 0.0023529 k( 85) = ( 0.4666667 -0.4666667 0.4666667), wk = 0.0023529 k( 86) = ( 0.4722222 -0.4722222 0.4722222), wk = 0.0023529 k( 87) = ( 0.4777778 -0.4777778 0.4777778), wk = 0.0023529 k( 88) = ( 0.4833333 -0.4833333 0.4833333), wk = 0.0023529 k( 89) = ( 0.4888889 -0.4888889 0.4888889), wk = 0.0023529 k( 90) = ( 0.4944444 -0.4944444 0.4944444), wk = 0.0023529 k( 91) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0023529 k( 92) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0023529 k( 93) = ( 0.4921875 -0.4921875 0.5000000), wk = 0.0023529 k( 94) = ( 0.4843750 -0.4843750 0.5000000), wk = 0.0023529 k( 95) = ( 0.4765625 -0.4765625 0.5000000), wk = 0.0023529 k( 96) = ( 0.4687500 -0.4687500 0.5000000), wk = 0.0023529 k( 97) = ( 0.4609375 -0.4609375 0.5000000), wk = 0.0023529 k( 98) = ( 0.4531250 -0.4531250 0.5000000), wk = 0.0023529 k( 99) = ( 0.4453125 -0.4453125 0.5000000), wk = 0.0023529 k( 100) = ( 0.4375000 -0.4375000 0.5000000), wk = 0.0023529 k( 101) = ( 0.4296875 -0.4296875 0.5000000), wk = 0.0023529 k( 102) = ( 0.4218750 -0.4218750 0.5000000), wk = 0.0023529 k( 103) = ( 0.4140625 -0.4140625 0.5000000), wk = 0.0023529 k( 104) = ( 0.4062500 -0.4062500 0.5000000), wk = 0.0023529 k( 105) = ( 0.3984375 -0.3984375 0.5000000), wk = 0.0023529 k( 106) = ( 0.3906250 -0.3906250 0.5000000), wk = 0.0023529 k( 107) = ( 0.3828125 -0.3828125 0.5000000), wk = 0.0023529 k( 108) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0023529 k( 109) = ( 0.3671875 -0.3671875 0.5000000), wk = 0.0023529 k( 110) = ( 0.3593750 -0.3593750 0.5000000), wk = 0.0023529 k( 111) = ( 0.3515625 -0.3515625 0.5000000), wk = 0.0023529 k( 112) = ( 0.3437500 -0.3437500 0.5000000), wk = 0.0023529 k( 113) = ( 0.3359375 -0.3359375 0.5000000), wk = 0.0023529 k( 114) = ( 0.3281250 -0.3281250 0.5000000), wk = 0.0023529 k( 115) = ( 0.3203125 -0.3203125 0.5000000), wk = 0.0023529 k( 116) = ( 0.3125000 -0.3125000 0.5000000), wk = 0.0023529 k( 117) = ( 0.3046875 -0.3046875 0.5000000), wk = 0.0023529 k( 118) = ( 0.2968750 -0.2968750 0.5000000), wk = 0.0023529 k( 119) = ( 0.2890625 -0.2890625 0.5000000), wk = 0.0023529 k( 120) = ( 0.2812500 -0.2812500 0.5000000), wk = 0.0023529 k( 121) = ( 0.2734375 -0.2734375 0.5000000), wk = 0.0023529 k( 122) = ( 0.2656250 -0.2656250 0.5000000), wk = 0.0023529 k( 123) = ( 0.2578125 -0.2578125 0.5000000), wk = 0.0023529 k( 124) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0023529 k( 125) = ( 0.2421875 -0.2421875 0.5000000), wk = 0.0023529 k( 126) = ( 0.2343750 -0.2343750 0.5000000), wk = 0.0023529 k( 127) = ( 0.2265625 -0.2265625 0.5000000), wk = 0.0023529 k( 128) = ( 0.2187500 -0.2187500 0.5000000), wk = 0.0023529 k( 129) = ( 0.2109375 -0.2109375 0.5000000), wk = 0.0023529 k( 130) = ( 0.2031250 -0.2031250 0.5000000), wk = 0.0023529 k( 131) = ( 0.1953125 -0.1953125 0.5000000), wk = 0.0023529 k( 132) = ( 0.1875000 -0.1875000 0.5000000), wk = 0.0023529 k( 133) = ( 0.1796875 -0.1796875 0.5000000), wk = 0.0023529 k( 134) = ( 0.1718750 -0.1718750 0.5000000), wk = 0.0023529 k( 135) = ( 0.1640625 -0.1640625 0.5000000), wk = 0.0023529 k( 136) = ( 0.1562500 -0.1562500 0.5000000), wk = 0.0023529 k( 137) = ( 0.1484375 -0.1484375 0.5000000), wk = 0.0023529 k( 138) = ( 0.1406250 -0.1406250 0.5000000), wk = 0.0023529 k( 139) = ( 0.1328125 -0.1328125 0.5000000), wk = 0.0023529 k( 140) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0023529 k( 141) = ( 0.1171875 -0.1171875 0.5000000), wk = 0.0023529 k( 142) = ( 0.1093750 -0.1093750 0.5000000), wk = 0.0023529 k( 143) = ( 0.1015625 -0.1015625 0.5000000), wk = 0.0023529 k( 144) = ( 0.0937500 -0.0937500 0.5000000), wk = 0.0023529 k( 145) = ( 0.0859375 -0.0859375 0.5000000), wk = 0.0023529 k( 146) = ( 0.0781250 -0.0781250 0.5000000), wk = 0.0023529 k( 147) = ( 0.0703125 -0.0703125 0.5000000), wk = 0.0023529 k( 148) = ( 0.0625000 -0.0625000 0.5000000), wk = 0.0023529 k( 149) = ( 0.0546875 -0.0546875 0.5000000), wk = 0.0023529 k( 150) = ( 0.0468750 -0.0468750 0.5000000), wk = 0.0023529 k( 151) = ( 0.0390625 -0.0390625 0.5000000), wk = 0.0023529 k( 152) = ( 0.0312500 -0.0312500 0.5000000), wk = 0.0023529 k( 153) = ( 0.0234375 -0.0234375 0.5000000), wk = 0.0023529 k( 154) = ( 0.0156250 -0.0156250 0.5000000), wk = 0.0023529 k( 155) = ( 0.0078125 -0.0078125 0.5000000), wk = 0.0023529 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023529 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023529 k( 158) = ( 0.0000000 0.0000000 0.4921875), wk = 0.0023529 k( 159) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0023529 k( 160) = ( 0.0000000 0.0000000 0.4765625), wk = 0.0023529 k( 161) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0023529 k( 162) = ( 0.0000000 0.0000000 0.4609375), wk = 0.0023529 k( 163) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0023529 k( 164) = ( 0.0000000 0.0000000 0.4453125), wk = 0.0023529 k( 165) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0023529 k( 166) = ( 0.0000000 0.0000000 0.4296875), wk = 0.0023529 k( 167) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0023529 k( 168) = ( 0.0000000 0.0000000 0.4140625), wk = 0.0023529 k( 169) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0023529 k( 170) = ( 0.0000000 0.0000000 0.3984375), wk = 0.0023529 k( 171) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0023529 k( 172) = ( 0.0000000 0.0000000 0.3828125), wk = 0.0023529 k( 173) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023529 k( 174) = ( 0.0000000 0.0000000 0.3671875), wk = 0.0023529 k( 175) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0023529 k( 176) = ( 0.0000000 0.0000000 0.3515625), wk = 0.0023529 k( 177) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0023529 k( 178) = ( 0.0000000 0.0000000 0.3359375), wk = 0.0023529 k( 179) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0023529 k( 180) = ( 0.0000000 0.0000000 0.3203125), wk = 0.0023529 k( 181) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0023529 k( 182) = ( 0.0000000 0.0000000 0.3046875), wk = 0.0023529 k( 183) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0023529 k( 184) = ( 0.0000000 0.0000000 0.2890625), wk = 0.0023529 k( 185) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0023529 k( 186) = ( 0.0000000 0.0000000 0.2734375), wk = 0.0023529 k( 187) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0023529 k( 188) = ( 0.0000000 0.0000000 0.2578125), wk = 0.0023529 k( 189) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023529 k( 190) = ( 0.0000000 0.0000000 0.2421875), wk = 0.0023529 k( 191) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0023529 k( 192) = ( 0.0000000 0.0000000 0.2265625), wk = 0.0023529 k( 193) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0023529 k( 194) = ( 0.0000000 0.0000000 0.2109375), wk = 0.0023529 k( 195) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0023529 k( 196) = ( 0.0000000 0.0000000 0.1953125), wk = 0.0023529 k( 197) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0023529 k( 198) = ( 0.0000000 0.0000000 0.1796875), wk = 0.0023529 k( 199) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0023529 k( 200) = ( 0.0000000 0.0000000 0.1640625), wk = 0.0023529 k( 201) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0023529 k( 202) = ( 0.0000000 0.0000000 0.1484375), wk = 0.0023529 k( 203) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0023529 k( 204) = ( 0.0000000 0.0000000 0.1328125), wk = 0.0023529 k( 205) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023529 k( 206) = ( 0.0000000 0.0000000 0.1171875), wk = 0.0023529 k( 207) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0023529 k( 208) = ( 0.0000000 0.0000000 0.1015625), wk = 0.0023529 k( 209) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0023529 k( 210) = ( 0.0000000 0.0000000 0.0859375), wk = 0.0023529 k( 211) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0023529 k( 212) = ( 0.0000000 0.0000000 0.0703125), wk = 0.0023529 k( 213) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0023529 k( 214) = ( 0.0000000 0.0000000 0.0546875), wk = 0.0023529 k( 215) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0023529 k( 216) = ( 0.0000000 0.0000000 0.0390625), wk = 0.0023529 k( 217) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0023529 k( 218) = ( 0.0000000 0.0000000 0.0234375), wk = 0.0023529 k( 219) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0023529 k( 220) = ( 0.0000000 0.0000000 0.0078125), wk = 0.0023529 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 223) = ( 0.0032051 0.0032051 0.0032051), wk = 0.0023529 k( 224) = ( 0.0064103 0.0064103 0.0064103), wk = 0.0023529 k( 225) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0023529 k( 226) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0023529 k( 227) = ( 0.0160256 0.0160256 0.0160256), wk = 0.0023529 k( 228) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0023529 k( 229) = ( 0.0224359 0.0224359 0.0224359), wk = 0.0023529 k( 230) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0023529 k( 231) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0023529 k( 232) = ( 0.0320513 0.0320513 0.0320513), wk = 0.0023529 k( 233) = ( 0.0352564 0.0352564 0.0352564), wk = 0.0023529 k( 234) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0023529 k( 235) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0023529 k( 236) = ( 0.0448718 0.0448718 0.0448718), wk = 0.0023529 k( 237) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0023529 k( 238) = ( 0.0512821 0.0512821 0.0512820), wk = 0.0023529 k( 239) = ( 0.0544872 0.0544872 0.0544872), wk = 0.0023529 k( 240) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0023529 k( 241) = ( 0.0608974 0.0608974 0.0608974), wk = 0.0023529 k( 242) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0023529 k( 243) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0023529 k( 244) = ( 0.0705128 0.0705128 0.0705128), wk = 0.0023529 k( 245) = ( 0.0737180 0.0737180 0.0737180), wk = 0.0023529 k( 246) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0023529 k( 247) = ( 0.0801282 0.0801282 0.0801282), wk = 0.0023529 k( 248) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0023529 k( 249) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0023529 k( 250) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0023529 k( 251) = ( 0.0929487 0.0929487 0.0929487), wk = 0.0023529 k( 252) = ( 0.0961538 0.0961539 0.0961539), wk = 0.0023529 k( 253) = ( 0.0993590 0.0993590 0.0993590), wk = 0.0023529 k( 254) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0023529 k( 255) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0023529 k( 256) = ( 0.1089744 0.1089744 0.1089744), wk = 0.0023529 k( 257) = ( 0.1121795 0.1121795 0.1121795), wk = 0.0023529 k( 258) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0023529 k( 259) = ( 0.1185897 0.1185897 0.1185897), wk = 0.0023529 k( 260) = ( 0.1217949 0.1217949 0.1217949), wk = 0.0023529 k( 261) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023529 k( 262) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0023529 k( 263) = ( 0.1314103 0.1314103 0.1314103), wk = 0.0023529 k( 264) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0023529 k( 265) = ( 0.1378205 0.1378205 0.1378205), wk = 0.0023529 k( 266) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0023529 k( 267) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0023529 k( 268) = ( 0.1474359 0.1474359 0.1474359), wk = 0.0023529 k( 269) = ( 0.1506410 0.1506410 0.1506410), wk = 0.0023529 k( 270) = ( 0.1538461 0.1538461 0.1538462), wk = 0.0023529 k( 271) = ( 0.1570513 0.1570513 0.1570513), wk = 0.0023529 k( 272) = ( 0.1602564 0.1602564 0.1602564), wk = 0.0023529 k( 273) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0023529 k( 274) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023529 k( 275) = ( 0.1698718 0.1698718 0.1698718), wk = 0.0023529 k( 276) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0023529 k( 277) = ( 0.1762820 0.1762820 0.1762821), wk = 0.0023529 k( 278) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0023529 k( 279) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0023529 k( 280) = ( 0.1858974 0.1858974 0.1858974), wk = 0.0023529 k( 281) = ( 0.1891026 0.1891026 0.1891026), wk = 0.0023529 k( 282) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0023529 k( 283) = ( 0.1955128 0.1955128 0.1955128), wk = 0.0023529 k( 284) = ( 0.1987180 0.1987180 0.1987179), wk = 0.0023529 k( 285) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0023529 k( 286) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0023529 k( 287) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0023529 k( 288) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0023529 k( 289) = ( 0.2147436 0.2147436 0.2147436), wk = 0.0023529 k( 290) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0023529 k( 291) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0023529 k( 292) = ( 0.2243590 0.2243590 0.2243590), wk = 0.0023529 k( 293) = ( 0.2275641 0.2275641 0.2275641), wk = 0.0023529 k( 294) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0023529 k( 295) = ( 0.2339744 0.2339744 0.2339744), wk = 0.0023529 k( 296) = ( 0.2371795 0.2371795 0.2371795), wk = 0.0023529 k( 297) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0023529 k( 298) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0023529 k( 299) = ( 0.2467949 0.2467949 0.2467949), wk = 0.0023529 k( 300) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023529 k( 301) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023529 k( 302) = ( 0.2532051 0.2403846 0.2532051), wk = 0.0023529 k( 303) = ( 0.2564103 0.2307692 0.2564103), wk = 0.0023529 k( 304) = ( 0.2596154 0.2211539 0.2596154), wk = 0.0023529 k( 305) = ( 0.2628205 0.2115385 0.2628205), wk = 0.0023529 k( 306) = ( 0.2660256 0.2019231 0.2660256), wk = 0.0023529 k( 307) = ( 0.2692308 0.1923077 0.2692308), wk = 0.0023529 k( 308) = ( 0.2724359 0.1826923 0.2724359), wk = 0.0023529 k( 309) = ( 0.2756410 0.1730769 0.2756410), wk = 0.0023529 k( 310) = ( 0.2788462 0.1634615 0.2788462), wk = 0.0023529 k( 311) = ( 0.2820513 0.1538461 0.2820513), wk = 0.0023529 k( 312) = ( 0.2852564 0.1442308 0.2852564), wk = 0.0023529 k( 313) = ( 0.2884615 0.1346154 0.2884615), wk = 0.0023529 k( 314) = ( 0.2916667 0.1250000 0.2916667), wk = 0.0023529 k( 315) = ( 0.2948718 0.1153846 0.2948718), wk = 0.0023529 k( 316) = ( 0.2980769 0.1057692 0.2980769), wk = 0.0023529 k( 317) = ( 0.3012821 0.0961538 0.3012821), wk = 0.0023529 k( 318) = ( 0.3044872 0.0865385 0.3044872), wk = 0.0023529 k( 319) = ( 0.3076923 0.0769231 0.3076923), wk = 0.0023529 k( 320) = ( 0.3108974 0.0673077 0.3108974), wk = 0.0023529 k( 321) = ( 0.3141026 0.0576923 0.3141026), wk = 0.0023529 k( 322) = ( 0.3173077 0.0480769 0.3173077), wk = 0.0023529 k( 323) = ( 0.3205128 0.0384615 0.3205128), wk = 0.0023529 k( 324) = ( 0.3237179 0.0288462 0.3237180), wk = 0.0023529 k( 325) = ( 0.3269231 0.0192308 0.3269231), wk = 0.0023529 k( 326) = ( 0.3301282 0.0096154 0.3301282), wk = 0.0023529 k( 327) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0023529 k( 328) = ( 0.3365385 -0.0096154 0.3365385), wk = 0.0023529 k( 329) = ( 0.3397436 -0.0192308 0.3397436), wk = 0.0023529 k( 330) = ( 0.3429487 -0.0288461 0.3429487), wk = 0.0023529 k( 331) = ( 0.3461538 -0.0384615 0.3461538), wk = 0.0023529 k( 332) = ( 0.3493590 -0.0480769 0.3493590), wk = 0.0023529 k( 333) = ( 0.3525641 -0.0576923 0.3525641), wk = 0.0023529 k( 334) = ( 0.3557692 -0.0673077 0.3557692), wk = 0.0023529 k( 335) = ( 0.3589744 -0.0769231 0.3589744), wk = 0.0023529 k( 336) = ( 0.3621795 -0.0865385 0.3621795), wk = 0.0023529 k( 337) = ( 0.3653846 -0.0961538 0.3653846), wk = 0.0023529 k( 338) = ( 0.3685897 -0.1057692 0.3685897), wk = 0.0023529 k( 339) = ( 0.3717949 -0.1153846 0.3717949), wk = 0.0023529 k( 340) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0023529 k( 341) = ( 0.3782051 -0.1346154 0.3782051), wk = 0.0023529 k( 342) = ( 0.3814103 -0.1442308 0.3814103), wk = 0.0023529 k( 343) = ( 0.3846154 -0.1538461 0.3846154), wk = 0.0023529 k( 344) = ( 0.3878205 -0.1634615 0.3878205), wk = 0.0023529 k( 345) = ( 0.3910256 -0.1730769 0.3910256), wk = 0.0023529 k( 346) = ( 0.3942308 -0.1826923 0.3942308), wk = 0.0023529 k( 347) = ( 0.3974359 -0.1923077 0.3974359), wk = 0.0023529 k( 348) = ( 0.4006410 -0.2019231 0.4006410), wk = 0.0023529 k( 349) = ( 0.4038462 -0.2115385 0.4038462), wk = 0.0023529 k( 350) = ( 0.4070513 -0.2211539 0.4070513), wk = 0.0023529 k( 351) = ( 0.4102564 -0.2307692 0.4102564), wk = 0.0023529 k( 352) = ( 0.4134615 -0.2403846 0.4134615), wk = 0.0023529 k( 353) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0023529 k( 354) = ( 0.4198718 -0.2596154 0.4198718), wk = 0.0023529 k( 355) = ( 0.4230769 -0.2692308 0.4230769), wk = 0.0023529 k( 356) = ( 0.4262821 -0.2788462 0.4262821), wk = 0.0023529 k( 357) = ( 0.4294872 -0.2884615 0.4294872), wk = 0.0023529 k( 358) = ( 0.4326923 -0.2980769 0.4326923), wk = 0.0023529 k( 359) = ( 0.4358974 -0.3076923 0.4358974), wk = 0.0023529 k( 360) = ( 0.4391026 -0.3173077 0.4391026), wk = 0.0023529 k( 361) = ( 0.4423077 -0.3269231 0.4423077), wk = 0.0023529 k( 362) = ( 0.4455128 -0.3365385 0.4455128), wk = 0.0023529 k( 363) = ( 0.4487179 -0.3461538 0.4487180), wk = 0.0023529 k( 364) = ( 0.4519231 -0.3557692 0.4519231), wk = 0.0023529 k( 365) = ( 0.4551282 -0.3653846 0.4551282), wk = 0.0023529 k( 366) = ( 0.4583333 -0.3750000 0.4583333), wk = 0.0023529 k( 367) = ( 0.4615385 -0.3846154 0.4615385), wk = 0.0023529 k( 368) = ( 0.4647436 -0.3942308 0.4647436), wk = 0.0023529 k( 369) = ( 0.4679487 -0.4038462 0.4679487), wk = 0.0023529 k( 370) = ( 0.4711538 -0.4134615 0.4711538), wk = 0.0023529 k( 371) = ( 0.4743590 -0.4230769 0.4743590), wk = 0.0023529 k( 372) = ( 0.4775641 -0.4326923 0.4775641), wk = 0.0023529 k( 373) = ( 0.4807692 -0.4423077 0.4807692), wk = 0.0023529 k( 374) = ( 0.4839744 -0.4519231 0.4839744), wk = 0.0023529 k( 375) = ( 0.4871795 -0.4615385 0.4871795), wk = 0.0023529 k( 376) = ( 0.4903846 -0.4711539 0.4903846), wk = 0.0023529 k( 377) = ( 0.4935897 -0.4807692 0.4935897), wk = 0.0023529 k( 378) = ( 0.4967949 -0.4903846 0.4967949), wk = 0.0023529 k( 379) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0023529 k( 380) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023529 k( 381) = ( 0.2444444 0.2444444 0.2555556), wk = 0.0023529 k( 382) = ( 0.2388889 0.2388889 0.2611111), wk = 0.0023529 k( 383) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0023529 k( 384) = ( 0.2277778 0.2277778 0.2722222), wk = 0.0023529 k( 385) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0023529 k( 386) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0023529 k( 387) = ( 0.2111111 0.2111111 0.2888889), wk = 0.0023529 k( 388) = ( 0.2055556 0.2055556 0.2944444), wk = 0.0023529 k( 389) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0023529 k( 390) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0023529 k( 391) = ( 0.1888889 0.1888889 0.3111111), wk = 0.0023529 k( 392) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0023529 k( 393) = ( 0.1777778 0.1777778 0.3222222), wk = 0.0023529 k( 394) = ( 0.1722222 0.1722222 0.3277778), wk = 0.0023529 k( 395) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0023529 k( 396) = ( 0.1611111 0.1611111 0.3388889), wk = 0.0023529 k( 397) = ( 0.1555556 0.1555556 0.3444444), wk = 0.0023529 k( 398) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0023529 k( 399) = ( 0.1444444 0.1444444 0.3555556), wk = 0.0023529 k( 400) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0023529 k( 401) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0023529 k( 402) = ( 0.1277778 0.1277778 0.3722222), wk = 0.0023529 k( 403) = ( 0.1222222 0.1222222 0.3777778), wk = 0.0023529 k( 404) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0023529 k( 405) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0023529 k( 406) = ( 0.1055556 0.1055556 0.3944444), wk = 0.0023529 k( 407) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0023529 k( 408) = ( 0.0944444 0.0944444 0.4055556), wk = 0.0023529 k( 409) = ( 0.0888889 0.0888889 0.4111111), wk = 0.0023529 k( 410) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0023529 k( 411) = ( 0.0777778 0.0777778 0.4222222), wk = 0.0023529 k( 412) = ( 0.0722222 0.0722222 0.4277778), wk = 0.0023529 k( 413) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0023529 k( 414) = ( 0.0611111 0.0611111 0.4388889), wk = 0.0023529 k( 415) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0023529 k( 416) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0023529 k( 417) = ( 0.0444444 0.0444444 0.4555556), wk = 0.0023529 k( 418) = ( 0.0388889 0.0388889 0.4611111), wk = 0.0023529 k( 419) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0023529 k( 420) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0023529 k( 421) = ( 0.0222222 0.0222222 0.4777778), wk = 0.0023529 k( 422) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0023529 k( 423) = ( 0.0111111 0.0111111 0.4888889), wk = 0.0023529 k( 424) = ( 0.0055556 0.0055556 0.4944444), wk = 0.0023529 k( 425) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023529 Dense grid: 10641 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 6531 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 48, 20) NL pseudopotentials 0.01 Mb ( 24, 34) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 296) G-vector shells 0.00 Mb ( 86) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 48, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 34, 2, 20) The potential is recalculated from file : ./Hf.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.3 secs Computing kpt #: 10 total cpu time spent up to now is 2.3 secs Computing kpt #: 11 total cpu time spent up to now is 2.4 secs Computing kpt #: 12 total cpu time spent up to now is 2.4 secs Computing kpt #: 13 total cpu time spent up to now is 2.5 secs Computing kpt #: 14 total cpu time spent up to now is 2.5 secs Computing kpt #: 15 total cpu time spent up to now is 2.5 secs Computing kpt #: 16 total cpu time spent up to now is 2.6 secs Computing kpt #: 17 total cpu time spent up to now is 2.6 secs Computing kpt #: 18 total cpu time spent up to now is 2.6 secs Computing kpt #: 19 total cpu time spent up to now is 2.7 secs Computing kpt #: 20 total cpu time spent up to now is 2.7 secs Computing kpt #: 21 total cpu time spent up to now is 2.8 secs Computing kpt #: 22 total cpu time spent up to now is 2.9 secs Computing kpt #: 23 total cpu time spent up to now is 2.9 secs Computing kpt #: 24 total cpu time spent up to now is 3.0 secs Computing kpt #: 25 total cpu time spent up to now is 3.0 secs Computing kpt #: 26 total cpu time spent up to now is 3.0 secs Computing kpt #: 27 total cpu time spent up to now is 3.1 secs Computing kpt #: 28 total cpu time spent up to now is 3.1 secs Computing kpt #: 29 total cpu time spent up to now is 3.2 secs Computing kpt #: 30 total cpu time spent up to now is 3.2 secs Computing kpt #: 31 total cpu time spent up to now is 3.2 secs Computing kpt #: 32 total cpu time spent up to now is 3.3 secs Computing kpt #: 33 total cpu time spent up to now is 3.3 secs Computing kpt #: 34 total cpu time spent up to now is 3.3 secs Computing kpt #: 35 total cpu time spent up to now is 3.4 secs Computing kpt #: 36 total cpu time spent up to now is 3.4 secs Computing kpt #: 37 total cpu time spent up to now is 3.5 secs Computing kpt #: 38 total cpu time spent up to now is 3.5 secs Computing kpt #: 39 total cpu time spent up to now is 3.5 secs Computing kpt #: 40 total cpu time spent up to now is 3.6 secs Computing kpt #: 41 total cpu time spent up to now is 3.6 secs Computing kpt #: 42 total cpu time spent up to now is 3.7 secs Computing kpt #: 43 total cpu time spent up to now is 3.7 secs Computing kpt #: 44 total cpu time spent up to now is 3.7 secs Computing kpt #: 45 total cpu time spent up to now is 3.8 secs Computing kpt #: 46 total cpu time spent up to now is 3.8 secs Computing kpt #: 47 total cpu time spent up to now is 3.8 secs Computing kpt #: 48 total cpu time spent up to now is 3.9 secs Computing kpt #: 49 total cpu time spent up to now is 3.9 secs Computing kpt #: 50 total cpu time spent up to now is 4.0 secs Computing kpt #: 51 total cpu time spent up to now is 4.0 secs Computing kpt #: 52 total cpu time spent up to now is 4.0 secs Computing kpt #: 53 total cpu time spent up to now is 4.1 secs Computing kpt #: 54 total cpu time spent up to now is 4.1 secs Computing kpt #: 55 total cpu time spent up to now is 4.2 secs Computing kpt #: 56 total cpu time spent up to now is 4.2 secs Computing kpt #: 57 total cpu time spent up to now is 4.2 secs Computing kpt #: 58 total cpu time spent up to now is 4.3 secs Computing kpt #: 59 total cpu time spent up to now is 4.3 secs Computing kpt #: 60 total cpu time spent up to now is 4.3 secs Computing kpt #: 61 total cpu time spent up to now is 4.4 secs Computing kpt #: 62 total cpu time spent up to now is 4.4 secs Computing kpt #: 63 total cpu time spent up to now is 4.5 secs Computing kpt #: 64 total cpu time spent up to now is 4.5 secs Computing kpt #: 65 total cpu time spent up to now is 4.6 secs Computing kpt #: 66 total cpu time spent up to now is 4.6 secs Computing kpt #: 67 total cpu time spent up to now is 4.6 secs Computing kpt #: 68 total cpu time spent up to now is 4.7 secs Computing kpt #: 69 total cpu time spent up to now is 4.7 secs Computing kpt #: 70 total cpu time spent up to now is 4.8 secs Computing kpt #: 71 total cpu time spent up to now is 4.8 secs Computing kpt #: 72 total cpu time spent up to now is 4.9 secs Computing kpt #: 73 total cpu time spent up to now is 4.9 secs Computing kpt #: 74 total cpu time spent up to now is 5.0 secs Computing kpt #: 75 total cpu time spent up to now is 5.0 secs Computing kpt #: 76 total cpu time spent up to now is 5.1 secs Computing kpt #: 77 total cpu time spent up to now is 5.1 secs Computing kpt #: 78 total cpu time spent up to now is 5.2 secs Computing kpt #: 79 total cpu time spent up to now is 5.2 secs Computing kpt #: 80 total cpu time spent up to now is 5.3 secs Computing kpt #: 81 total cpu time spent up to now is 5.3 secs Computing kpt #: 82 total cpu time spent up to now is 5.4 secs Computing kpt #: 83 total cpu time spent up to now is 5.4 secs Computing kpt #: 84 total cpu time spent up to now is 5.5 secs Computing kpt #: 85 total cpu time spent up to now is 5.5 secs Computing kpt #: 86 total cpu time spent up to now is 5.6 secs Computing kpt #: 87 total cpu time spent up to now is 5.7 secs Computing kpt #: 88 total cpu time spent up to now is 5.7 secs Computing kpt #: 89 total cpu time spent up to now is 5.8 secs Computing kpt #: 90 total cpu time spent up to now is 5.9 secs Computing kpt #: 91 total cpu time spent up to now is 5.9 secs Computing kpt #: 92 total cpu time spent up to now is 6.0 secs Computing kpt #: 93 total cpu time spent up to now is 6.0 secs Computing kpt #: 94 total cpu time spent up to now is 6.1 secs Computing kpt #: 95 total cpu time spent up to now is 6.1 secs Computing kpt #: 96 total cpu time spent up to now is 6.2 secs Computing kpt #: 97 total cpu time spent up to now is 6.3 secs Computing kpt #: 98 total cpu time spent up to now is 6.3 secs Computing kpt #: 99 total cpu time spent up to now is 6.4 secs Computing kpt #: 100 total cpu time spent up to now is 6.5 secs Computing kpt #: 101 total cpu time spent up to now is 6.6 secs Computing kpt #: 102 total cpu time spent up to now is 6.6 secs Computing kpt #: 103 total cpu time spent up to now is 6.7 secs Computing kpt #: 104 total cpu time spent up to now is 6.8 secs Computing kpt #: 105 total cpu time spent up to now is 6.8 secs Computing kpt #: 106 total cpu time spent up to now is 6.9 secs Computing kpt #: 107 total cpu time spent up to now is 7.0 secs Computing kpt #: 108 total cpu time spent up to now is 7.0 secs Computing kpt #: 109 total cpu time spent up to now is 7.1 secs Computing kpt #: 110 total cpu time spent up to now is 7.2 secs Computing kpt #: 111 total cpu time spent up to now is 7.2 secs Computing kpt #: 112 total cpu time spent up to now is 7.3 secs Computing kpt #: 113 total cpu time spent up to now is 7.4 secs Computing kpt #: 114 total cpu time spent up to now is 7.4 secs Computing kpt #: 115 total cpu time spent up to now is 7.5 secs Computing kpt #: 116 total cpu time spent up to now is 7.5 secs Computing kpt #: 117 total cpu time spent up to now is 7.6 secs Computing kpt #: 118 total cpu time spent up to now is 7.7 secs Computing kpt #: 119 total cpu time spent up to now is 7.7 secs Computing kpt #: 120 total cpu time spent up to now is 7.8 secs Computing kpt #: 121 total cpu time spent up to now is 7.9 secs Computing kpt #: 122 total cpu time spent up to now is 8.0 secs Computing kpt #: 123 total cpu time spent up to now is 8.1 secs Computing kpt #: 124 total cpu time spent up to now is 8.1 secs Computing kpt #: 125 total cpu time spent up to now is 8.2 secs Computing kpt #: 126 total cpu time spent up to now is 8.2 secs Computing kpt #: 127 total cpu time spent up to now is 8.3 secs Computing kpt #: 128 total cpu time spent up to now is 8.3 secs Computing kpt #: 129 total cpu time spent up to now is 8.4 secs Computing kpt #: 130 total cpu time spent up to now is 8.5 secs Computing kpt #: 131 total cpu time spent up to now is 8.5 secs Computing kpt #: 132 total cpu time spent up to now is 8.6 secs Computing kpt #: 133 total cpu time spent up to now is 8.6 secs Computing kpt #: 134 total cpu time spent up to now is 8.7 secs Computing kpt #: 135 total cpu time spent up to now is 8.7 secs Computing kpt #: 136 total cpu time spent up to now is 8.8 secs Computing kpt #: 137 total cpu time spent up to now is 8.8 secs Computing kpt #: 138 total cpu time spent up to now is 8.9 secs Computing kpt #: 139 total cpu time spent up to now is 8.9 secs Computing kpt #: 140 total cpu time spent up to now is 9.0 secs Computing kpt #: 141 total cpu time spent up to now is 9.0 secs Computing kpt #: 142 total cpu time spent up to now is 9.1 secs Computing kpt #: 143 total cpu time spent up to now is 9.1 secs Computing kpt #: 144 total cpu time spent up to now is 9.2 secs Computing kpt #: 145 total cpu time spent up to now is 9.2 secs Computing kpt #: 146 total cpu time spent up to now is 9.3 secs Computing kpt #: 147 total cpu time spent up to now is 9.3 secs Computing kpt #: 148 total cpu time spent up to now is 9.4 secs Computing kpt #: 149 total cpu time spent up to now is 9.4 secs Computing kpt #: 150 total cpu time spent up to now is 9.5 secs Computing kpt #: 151 total cpu time spent up to now is 9.5 secs Computing kpt #: 152 total cpu time spent up to now is 9.6 secs Computing kpt #: 153 total cpu time spent up to now is 9.6 secs Computing kpt #: 154 total cpu time spent up to now is 9.7 secs Computing kpt #: 155 total cpu time spent up to now is 9.7 secs Computing kpt #: 156 total cpu time spent up to now is 9.8 secs Computing kpt #: 157 total cpu time spent up to now is 9.8 secs Computing kpt #: 158 total cpu time spent up to now is 9.9 secs Computing kpt #: 159 total cpu time spent up to now is 9.9 secs Computing kpt #: 160 total cpu time spent up to now is 10.0 secs Computing kpt #: 161 total cpu time spent up to now is 10.0 secs Computing kpt #: 162 total cpu time spent up to now is 10.0 secs Computing kpt #: 163 total cpu time spent up to now is 10.1 secs Computing kpt #: 164 total cpu time spent up to now is 10.1 secs Computing kpt #: 165 total cpu time spent up to now is 10.2 secs Computing kpt #: 166 total cpu time spent up to now is 10.2 secs Computing kpt #: 167 total cpu time spent up to now is 10.2 secs Computing kpt #: 168 total cpu time spent up to now is 10.3 secs Computing kpt #: 169 total cpu time spent up to now is 10.3 secs Computing kpt #: 170 total cpu time spent up to now is 10.4 secs Computing kpt #: 171 total cpu time spent up to now is 10.4 secs Computing kpt #: 172 total cpu time spent up to now is 10.4 secs Computing kpt #: 173 total cpu time spent up to now is 10.5 secs Computing kpt #: 174 total cpu time spent up to now is 10.5 secs Computing kpt #: 175 total cpu time spent up to now is 10.6 secs Computing kpt #: 176 total cpu time spent up to now is 10.6 secs Computing kpt #: 177 total cpu time spent up to now is 10.6 secs Computing kpt #: 178 total cpu time spent up to now is 10.7 secs Computing kpt #: 179 total cpu time spent up to now is 10.7 secs Computing kpt #: 180 total cpu time spent up to now is 10.8 secs Computing kpt #: 181 total cpu time spent up to now is 10.8 secs Computing kpt #: 182 total cpu time spent up to now is 10.8 secs Computing kpt #: 183 total cpu time spent up to now is 10.9 secs Computing kpt #: 184 total cpu time spent up to now is 10.9 secs Computing kpt #: 185 total cpu time spent up to now is 11.0 secs Computing kpt #: 186 total cpu time spent up to now is 11.0 secs Computing kpt #: 187 total cpu time spent up to now is 11.0 secs Computing kpt #: 188 total cpu time spent up to now is 11.1 secs Computing kpt #: 189 total cpu time spent up to now is 11.1 secs Computing kpt #: 190 total cpu time spent up to now is 11.1 secs Computing kpt #: 191 total cpu time spent up to now is 11.2 secs Computing kpt #: 192 total cpu time spent up to now is 11.2 secs Computing kpt #: 193 total cpu time spent up to now is 11.3 secs Computing kpt #: 194 total cpu time spent up to now is 11.3 secs Computing kpt #: 195 total cpu time spent up to now is 11.3 secs Computing kpt #: 196 total cpu time spent up to now is 11.4 secs Computing kpt #: 197 total cpu time spent up to now is 11.4 secs Computing kpt #: 198 total cpu time spent up to now is 11.4 secs Computing kpt #: 199 total cpu time spent up to now is 11.5 secs Computing kpt #: 200 total cpu time spent up to now is 11.5 secs Computing kpt #: 201 total cpu time spent up to now is 11.6 secs Computing kpt #: 202 total cpu time spent up to now is 11.6 secs Computing kpt #: 203 total cpu time spent up to now is 11.6 secs Computing kpt #: 204 total cpu time spent up to now is 11.7 secs Computing kpt #: 205 total cpu time spent up to now is 11.7 secs Computing kpt #: 206 total cpu time spent up to now is 11.8 secs Computing kpt #: 207 total cpu time spent up to now is 11.8 secs Computing kpt #: 208 total cpu time spent up to now is 11.8 secs Computing kpt #: 209 total cpu time spent up to now is 11.9 secs Computing kpt #: 210 total cpu time spent up to now is 11.9 secs Computing kpt #: 211 total cpu time spent up to now is 11.9 secs Computing kpt #: 212 total cpu time spent up to now is 12.0 secs Computing kpt #: 213 total cpu time spent up to now is 12.0 secs Computing kpt #: 214 total cpu time spent up to now is 12.1 secs Computing kpt #: 215 total cpu time spent up to now is 12.1 secs Computing kpt #: 216 total cpu time spent up to now is 12.1 secs Computing kpt #: 217 total cpu time spent up to now is 12.2 secs Computing kpt #: 218 total cpu time spent up to now is 12.2 secs Computing kpt #: 219 total cpu time spent up to now is 12.2 secs Computing kpt #: 220 total cpu time spent up to now is 12.3 secs Computing kpt #: 221 total cpu time spent up to now is 12.3 secs Computing kpt #: 222 total cpu time spent up to now is 12.4 secs Computing kpt #: 223 total cpu time spent up to now is 12.4 secs Computing kpt #: 224 total cpu time spent up to now is 12.4 secs Computing kpt #: 225 total cpu time spent up to now is 12.5 secs Computing kpt #: 226 total cpu time spent up to now is 12.5 secs Computing kpt #: 227 total cpu time spent up to now is 12.5 secs Computing kpt #: 228 total cpu time spent up to now is 12.6 secs Computing kpt #: 229 total cpu time spent up to now is 12.6 secs Computing kpt #: 230 total cpu time spent up to now is 12.7 secs Computing kpt #: 231 total cpu time spent up to now is 12.7 secs Computing kpt #: 232 total cpu time spent up to now is 12.7 secs Computing kpt #: 233 total cpu time spent up to now is 12.8 secs Computing kpt #: 234 total cpu time spent up to now is 12.8 secs Computing kpt #: 235 total cpu time spent up to now is 12.8 secs Computing kpt #: 236 total cpu time spent up to now is 12.9 secs Computing kpt #: 237 total cpu time spent up to now is 12.9 secs Computing kpt #: 238 total cpu time spent up to now is 13.0 secs Computing kpt #: 239 total cpu time spent up to now is 13.0 secs Computing kpt #: 240 total cpu time spent up to now is 13.0 secs Computing kpt #: 241 total cpu time spent up to now is 13.1 secs Computing kpt #: 242 total cpu time spent up to now is 13.1 secs Computing kpt #: 243 total cpu time spent up to now is 13.1 secs Computing kpt #: 244 total cpu time spent up to now is 13.2 secs Computing kpt #: 245 total cpu time spent up to now is 13.2 secs Computing kpt #: 246 total cpu time spent up to now is 13.3 secs Computing kpt #: 247 total cpu time spent up to now is 13.3 secs Computing kpt #: 248 total cpu time spent up to now is 13.3 secs Computing kpt #: 249 total cpu time spent up to now is 13.4 secs Computing kpt #: 250 total cpu time spent up to now is 13.4 secs Computing kpt #: 251 total cpu time spent up to now is 13.4 secs Computing kpt #: 252 total cpu time spent up to now is 13.5 secs Computing kpt #: 253 total cpu time spent up to now is 13.5 secs Computing kpt #: 254 total cpu time spent up to now is 13.6 secs Computing kpt #: 255 total cpu time spent up to now is 13.6 secs Computing kpt #: 256 total cpu time spent up to now is 13.6 secs Computing kpt #: 257 total cpu time spent up to now is 13.7 secs Computing kpt #: 258 total cpu time spent up to now is 13.7 secs Computing kpt #: 259 total cpu time spent up to now is 13.8 secs Computing kpt #: 260 total cpu time spent up to now is 13.8 secs Computing kpt #: 261 total cpu time spent up to now is 13.8 secs Computing kpt #: 262 total cpu time spent up to now is 13.9 secs Computing kpt #: 263 total cpu time spent up to now is 13.9 secs Computing kpt #: 264 total cpu time spent up to now is 14.0 secs Computing kpt #: 265 total cpu time spent up to now is 14.0 secs Computing kpt #: 266 total cpu time spent up to now is 14.0 secs Computing kpt #: 267 total cpu time spent up to now is 14.1 secs Computing kpt #: 268 total cpu time spent up to now is 14.1 secs Computing kpt #: 269 total cpu time spent up to now is 14.2 secs Computing kpt #: 270 total cpu time spent up to now is 14.2 secs Computing kpt #: 271 total cpu time spent up to now is 14.3 secs Computing kpt #: 272 total cpu time spent up to now is 14.3 secs Computing kpt #: 273 total cpu time spent up to now is 14.4 secs Computing kpt #: 274 total cpu time spent up to now is 14.4 secs Computing kpt #: 275 total cpu time spent up to now is 14.5 secs Computing kpt #: 276 total cpu time spent up to now is 14.5 secs Computing kpt #: 277 total cpu time spent up to now is 14.6 secs Computing kpt #: 278 total cpu time spent up to now is 14.7 secs Computing kpt #: 279 total cpu time spent up to now is 14.7 secs Computing kpt #: 280 total cpu time spent up to now is 14.8 secs Computing kpt #: 281 total cpu time spent up to now is 14.8 secs Computing kpt #: 282 total cpu time spent up to now is 14.9 secs Computing kpt #: 283 total cpu time spent up to now is 15.0 secs Computing kpt #: 284 total cpu time spent up to now is 15.0 secs Computing kpt #: 285 total cpu time spent up to now is 15.1 secs Computing kpt #: 286 total cpu time spent up to now is 15.1 secs Computing kpt #: 287 total cpu time spent up to now is 15.1 secs Computing kpt #: 288 total cpu time spent up to now is 15.2 secs Computing kpt #: 289 total cpu time spent up to now is 15.2 secs Computing kpt #: 290 total cpu time spent up to now is 15.3 secs Computing kpt #: 291 total cpu time spent up to now is 15.3 secs Computing kpt #: 292 total cpu time spent up to now is 15.3 secs Computing kpt #: 293 total cpu time spent up to now is 15.4 secs Computing kpt #: 294 total cpu time spent up to now is 15.4 secs Computing kpt #: 295 total cpu time spent up to now is 15.5 secs Computing kpt #: 296 total cpu time spent up to now is 15.5 secs Computing kpt #: 297 total cpu time spent up to now is 15.5 secs Computing kpt #: 298 total cpu time spent up to now is 15.6 secs Computing kpt #: 299 total cpu time spent up to now is 15.6 secs Computing kpt #: 300 total cpu time spent up to now is 15.6 secs Computing kpt #: 301 total cpu time spent up to now is 15.7 secs Computing kpt #: 302 total cpu time spent up to now is 15.7 secs Computing kpt #: 303 total cpu time spent up to now is 15.8 secs Computing kpt #: 304 total cpu time spent up to now is 15.8 secs Computing kpt #: 305 total cpu time spent up to now is 15.8 secs Computing kpt #: 306 total cpu time spent up to now is 15.9 secs Computing kpt #: 307 total cpu time spent up to now is 15.9 secs Computing kpt #: 308 total cpu time spent up to now is 16.0 secs Computing kpt #: 309 total cpu time spent up to now is 16.0 secs Computing kpt #: 310 total cpu time spent up to now is 16.0 secs Computing kpt #: 311 total cpu time spent up to now is 16.1 secs Computing kpt #: 312 total cpu time spent up to now is 16.1 secs Computing kpt #: 313 total cpu time spent up to now is 16.2 secs Computing kpt #: 314 total cpu time spent up to now is 16.2 secs Computing kpt #: 315 total cpu time spent up to now is 16.3 secs Computing kpt #: 316 total cpu time spent up to now is 16.3 secs Computing kpt #: 317 total cpu time spent up to now is 16.3 secs Computing kpt #: 318 total cpu time spent up to now is 16.4 secs Computing kpt #: 319 total cpu time spent up to now is 16.4 secs Computing kpt #: 320 total cpu time spent up to now is 16.5 secs Computing kpt #: 321 total cpu time spent up to now is 16.5 secs Computing kpt #: 322 total cpu time spent up to now is 16.6 secs Computing kpt #: 323 total cpu time spent up to now is 16.6 secs Computing kpt #: 324 total cpu time spent up to now is 16.7 secs Computing kpt #: 325 total cpu time spent up to now is 16.7 secs Computing kpt #: 326 total cpu time spent up to now is 16.8 secs Computing kpt #: 327 total cpu time spent up to now is 16.8 secs Computing kpt #: 328 total cpu time spent up to now is 16.8 secs Computing kpt #: 329 total cpu time spent up to now is 16.9 secs Computing kpt #: 330 total cpu time spent up to now is 16.9 secs Computing kpt #: 331 total cpu time spent up to now is 17.0 secs Computing kpt #: 332 total cpu time spent up to now is 17.0 secs Computing kpt #: 333 total cpu time spent up to now is 17.0 secs Computing kpt #: 334 total cpu time spent up to now is 17.1 secs Computing kpt #: 335 total cpu time spent up to now is 17.1 secs Computing kpt #: 336 total cpu time spent up to now is 17.2 secs Computing kpt #: 337 total cpu time spent up to now is 17.2 secs Computing kpt #: 338 total cpu time spent up to now is 17.3 secs Computing kpt #: 339 total cpu time spent up to now is 17.3 secs Computing kpt #: 340 total cpu time spent up to now is 17.3 secs Computing kpt #: 341 total cpu time spent up to now is 17.4 secs Computing kpt #: 342 total cpu time spent up to now is 17.4 secs Computing kpt #: 343 total cpu time spent up to now is 17.5 secs Computing kpt #: 344 total cpu time spent up to now is 17.5 secs Computing kpt #: 345 total cpu time spent up to now is 17.6 secs Computing kpt #: 346 total cpu time spent up to now is 17.6 secs Computing kpt #: 347 total cpu time spent up to now is 17.7 secs Computing kpt #: 348 total cpu time spent up to now is 17.7 secs Computing kpt #: 349 total cpu time spent up to now is 17.8 secs Computing kpt #: 350 total cpu time spent up to now is 17.8 secs Computing kpt #: 351 total cpu time spent up to now is 17.9 secs Computing kpt #: 352 total cpu time spent up to now is 17.9 secs Computing kpt #: 353 total cpu time spent up to now is 18.0 secs Computing kpt #: 354 total cpu time spent up to now is 18.0 secs Computing kpt #: 355 total cpu time spent up to now is 18.1 secs Computing kpt #: 356 total cpu time spent up to now is 18.2 secs Computing kpt #: 357 total cpu time spent up to now is 18.3 secs Computing kpt #: 358 total cpu time spent up to now is 18.3 secs Computing kpt #: 359 total cpu time spent up to now is 18.4 secs Computing kpt #: 360 total cpu time spent up to now is 18.4 secs Computing kpt #: 361 total cpu time spent up to now is 18.5 secs Computing kpt #: 362 total cpu time spent up to now is 18.6 secs Computing kpt #: 363 total cpu time spent up to now is 18.6 secs Computing kpt #: 364 total cpu time spent up to now is 18.7 secs Computing kpt #: 365 total cpu time spent up to now is 18.7 secs Computing kpt #: 366 total cpu time spent up to now is 18.8 secs Computing kpt #: 367 total cpu time spent up to now is 18.8 secs Computing kpt #: 368 total cpu time spent up to now is 18.9 secs Computing kpt #: 369 total cpu time spent up to now is 19.0 secs Computing kpt #: 370 total cpu time spent up to now is 19.0 secs Computing kpt #: 371 total cpu time spent up to now is 19.1 secs Computing kpt #: 372 total cpu time spent up to now is 19.1 secs Computing kpt #: 373 total cpu time spent up to now is 19.2 secs Computing kpt #: 374 total cpu time spent up to now is 19.3 secs Computing kpt #: 375 total cpu time spent up to now is 19.3 secs Computing kpt #: 376 total cpu time spent up to now is 19.4 secs Computing kpt #: 377 total cpu time spent up to now is 19.4 secs Computing kpt #: 378 total cpu time spent up to now is 19.5 secs Computing kpt #: 379 total cpu time spent up to now is 19.6 secs Computing kpt #: 380 total cpu time spent up to now is 19.6 secs Computing kpt #: 381 total cpu time spent up to now is 19.6 secs Computing kpt #: 382 total cpu time spent up to now is 19.7 secs Computing kpt #: 383 total cpu time spent up to now is 19.7 secs Computing kpt #: 384 total cpu time spent up to now is 19.8 secs Computing kpt #: 385 total cpu time spent up to now is 19.8 secs Computing kpt #: 386 total cpu time spent up to now is 19.8 secs Computing kpt #: 387 total cpu time spent up to now is 19.9 secs Computing kpt #: 388 total cpu time spent up to now is 19.9 secs Computing kpt #: 389 total cpu time spent up to now is 20.0 secs Computing kpt #: 390 total cpu time spent up to now is 20.0 secs Computing kpt #: 391 total cpu time spent up to now is 20.0 secs Computing kpt #: 392 total cpu time spent up to now is 20.1 secs Computing kpt #: 393 total cpu time spent up to now is 20.1 secs Computing kpt #: 394 total cpu time spent up to now is 20.2 secs Computing kpt #: 395 total cpu time spent up to now is 20.3 secs Computing kpt #: 396 total cpu time spent up to now is 20.3 secs Computing kpt #: 397 total cpu time spent up to now is 20.4 secs Computing kpt #: 398 total cpu time spent up to now is 20.4 secs Computing kpt #: 399 total cpu time spent up to now is 20.5 secs Computing kpt #: 400 total cpu time spent up to now is 20.5 secs Computing kpt #: 401 total cpu time spent up to now is 20.6 secs Computing kpt #: 402 total cpu time spent up to now is 20.6 secs Computing kpt #: 403 total cpu time spent up to now is 20.7 secs Computing kpt #: 404 total cpu time spent up to now is 20.7 secs Computing kpt #: 405 total cpu time spent up to now is 20.8 secs Computing kpt #: 406 total cpu time spent up to now is 20.8 secs Computing kpt #: 407 total cpu time spent up to now is 20.9 secs Computing kpt #: 408 total cpu time spent up to now is 21.0 secs Computing kpt #: 409 total cpu time spent up to now is 21.0 secs Computing kpt #: 410 total cpu time spent up to now is 21.1 secs Computing kpt #: 411 total cpu time spent up to now is 21.1 secs Computing kpt #: 412 total cpu time spent up to now is 21.2 secs Computing kpt #: 413 total cpu time spent up to now is 21.2 secs Computing kpt #: 414 total cpu time spent up to now is 21.3 secs Computing kpt #: 415 total cpu time spent up to now is 21.3 secs Computing kpt #: 416 total cpu time spent up to now is 21.4 secs Computing kpt #: 417 total cpu time spent up to now is 21.4 secs Computing kpt #: 418 total cpu time spent up to now is 21.5 secs Computing kpt #: 419 total cpu time spent up to now is 21.5 secs Computing kpt #: 420 total cpu time spent up to now is 21.6 secs Computing kpt #: 421 total cpu time spent up to now is 21.6 secs Computing kpt #: 422 total cpu time spent up to now is 21.7 secs Computing kpt #: 423 total cpu time spent up to now is 21.7 secs Computing kpt #: 424 total cpu time spent up to now is 21.8 secs Computing kpt #: 425 total cpu time spent up to now is 21.8 secs ethr = 8.33E-08, avg # of iterations = 8.3 total cpu time spent up to now is 21.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 791 PWs) bands (ev): -46.2605 -46.2605 -20.2852 -20.2852 -12.3546 -12.3546 -12.3546 -12.3546 7.8638 7.8638 16.4684 16.4684 16.4684 16.4684 16.8078 16.8078 19.5344 19.5344 19.5344 19.5344 k = 0.0056-0.0039 0.0068 ( 791 PWs) bands (ev): -46.2604 -46.2604 -20.2854 -20.2854 -12.3550 -12.3550 -12.3548 -12.3548 7.8662 7.8662 16.4678 16.4678 16.4690 16.4690 16.8078 16.8078 19.5293 19.5293 19.5359 19.5359 k = 0.0111-0.0079 0.0136 ( 791 PWs) bands (ev): -46.2602 -46.2602 -20.2859 -20.2859 -12.3564 -12.3564 -12.3555 -12.3555 7.8735 7.8735 16.4658 16.4658 16.4706 16.4706 16.8077 16.8077 19.5141 19.5141 19.5404 19.5404 k = 0.0167-0.0118 0.0204 ( 791 PWs) bands (ev): -46.2600 -46.2600 -20.2867 -20.2867 -12.3586 -12.3586 -12.3567 -12.3567 7.8856 7.8856 16.4627 16.4627 16.4732 16.4732 16.8077 16.8077 19.4889 19.4889 19.5479 19.5479 k = 0.0222-0.0157 0.0272 ( 791 PWs) bands (ev): -46.2596 -46.2596 -20.2878 -20.2878 -12.3617 -12.3617 -12.3583 -12.3583 7.9025 7.9025 16.4583 16.4583 16.4766 16.4766 16.8079 16.8079 19.4540 19.4540 19.5583 19.5583 k = 0.0278-0.0196 0.0340 ( 791 PWs) bands (ev): -46.2592 -46.2592 -20.2892 -20.2892 -12.3657 -12.3657 -12.3604 -12.3604 7.9243 7.9243 16.4527 16.4527 16.4809 16.4809 16.8085 16.8085 19.4097 19.4097 19.5717 19.5717 k = 0.0333-0.0236 0.0408 ( 799 PWs) bands (ev): -46.2587 -46.2587 -20.2913 -20.2913 -12.3709 -12.3709 -12.3629 -12.3629 7.9508 7.9508 16.4460 16.4460 16.4856 16.4856 16.8098 16.8098 19.3564 19.3564 19.5880 19.5880 k = 0.0389-0.0275 0.0476 ( 803 PWs) bands (ev): -46.2580 -46.2580 -20.2935 -20.2935 -12.3767 -12.3767 -12.3660 -12.3660 7.9820 7.9820 16.4384 16.4384 16.4906 16.4906 16.8120 16.8120 19.2947 19.2947 19.6072 19.6072 k = 0.0444-0.0314 0.0544 ( 811 PWs) bands (ev): -46.2573 -46.2573 -20.2962 -20.2962 -12.3834 -12.3834 -12.3695 -12.3695 8.0180 8.0180 16.4298 16.4298 16.4957 16.4957 16.8157 16.8157 19.2250 19.2250 19.6292 19.6292 k = 0.0500-0.0354 0.0612 ( 807 PWs) bands (ev): -46.2565 -46.2565 -20.2987 -20.2987 -12.3906 -12.3906 -12.3734 -12.3734 8.0586 8.0586 16.4203 16.4203 16.5004 16.5004 16.8211 16.8211 19.1479 19.1479 19.6539 19.6539 k = 0.0556-0.0393 0.0680 ( 807 PWs) bands (ev): -46.2555 -46.2555 -20.3017 -20.3017 -12.3986 -12.3986 -12.3777 -12.3777 8.1037 8.1037 16.4102 16.4102 16.5045 16.5045 16.8287 16.8287 19.0641 19.0641 19.6813 19.6813 k = 0.0611-0.0432 0.0748 ( 807 PWs) bands (ev): -46.2545 -46.2545 -20.3050 -20.3050 -12.4075 -12.4075 -12.3825 -12.3825 8.1534 8.1534 16.3995 16.3995 16.5077 16.5077 16.8388 16.8388 18.9740 18.9740 19.7113 19.7113 k = 0.0667-0.0471 0.0816 ( 807 PWs) bands (ev): -46.2534 -46.2534 -20.3086 -20.3086 -12.4170 -12.4170 -12.3877 -12.3877 8.2075 8.2075 16.3884 16.3884 16.5099 16.5099 16.8518 16.8518 18.8783 18.8783 19.7437 19.7437 k = 0.0722-0.0511 0.0885 ( 815 PWs) bands (ev): -46.2522 -46.2522 -20.3127 -20.3127 -12.4274 -12.4274 -12.3936 -12.3936 8.2660 8.2660 16.3769 16.3769 16.5109 16.5109 16.8679 16.8679 18.7775 18.7775 19.7786 19.7786 k = 0.0778-0.0550 0.0953 ( 811 PWs) bands (ev): -46.2509 -46.2509 -20.3167 -20.3167 -12.4383 -12.4383 -12.3995 -12.3995 8.3288 8.3288 16.3653 16.3653 16.5107 16.5107 16.8870 16.8870 18.6724 18.6724 19.8157 19.8157 k = 0.0833-0.0589 0.1021 ( 811 PWs) bands (ev): -46.2495 -46.2495 -20.3211 -20.3211 -12.4498 -12.4498 -12.4060 -12.4060 8.3958 8.3958 16.3536 16.3536 16.5095 16.5095 16.9093 16.9093 18.5633 18.5633 19.8548 19.8548 k = 0.0889-0.0629 0.1089 ( 811 PWs) bands (ev): -46.2481 -46.2481 -20.3258 -20.3258 -12.4619 -12.4619 -12.4129 -12.4129 8.4669 8.4669 16.3421 16.3421 16.5073 16.5073 16.9346 16.9346 18.4509 18.4509 19.8959 19.8959 k = 0.0944-0.0668 0.1157 ( 811 PWs) bands (ev): -46.2465 -46.2465 -20.3307 -20.3307 -12.4746 -12.4746 -12.4202 -12.4202 8.5420 8.5420 16.3308 16.3308 16.5045 16.5045 16.9626 16.9626 18.3358 18.3358 19.9388 19.9388 k = 0.1000-0.0707 0.1225 ( 811 PWs) bands (ev): -46.2449 -46.2449 -20.3358 -20.3358 -12.4879 -12.4879 -12.4279 -12.4279 8.6210 8.6210 16.3200 16.3200 16.5013 16.5013 16.9932 16.9932 18.2186 18.2186 19.9831 19.9831 k = 0.1056-0.0746 0.1293 ( 811 PWs) bands (ev): -46.2432 -46.2432 -20.3412 -20.3412 -12.5016 -12.5016 -12.4359 -12.4359 8.7038 8.7038 16.3097 16.3097 16.4978 16.4978 17.0260 17.0260 18.1000 18.1000 20.0288 20.0288 k = 0.1111-0.0786 0.1361 ( 823 PWs) bands (ev): -46.2415 -46.2415 -20.3472 -20.3472 -12.5159 -12.5159 -12.4448 -12.4448 8.7902 8.7902 16.3001 16.3001 16.4944 16.4944 17.0603 17.0603 17.9808 17.9808 20.0754 20.0754 k = 0.1167-0.0825 0.1429 ( 819 PWs) bands (ev): -46.2396 -46.2396 -20.3528 -20.3528 -12.5303 -12.5303 -12.4536 -12.4536 8.8803 8.8803 16.2913 16.2913 16.4912 16.4912 17.0952 17.0952 17.8623 17.8623 20.1228 20.1228 k = 0.1222-0.0864 0.1497 ( 827 PWs) bands (ev): -46.2377 -46.2377 -20.3591 -20.3591 -12.5455 -12.5455 -12.4629 -12.4629 8.9737 8.9737 16.2836 16.2836 16.4883 16.4883 17.1290 17.1290 17.7465 17.7465 20.1705 20.1705 k = 0.1278-0.0904 0.1565 ( 827 PWs) bands (ev): -46.2358 -46.2358 -20.3652 -20.3652 -12.5608 -12.5608 -12.4724 -12.4724 9.0705 9.0705 16.2769 16.2769 16.4858 16.4858 17.1579 17.1579 17.6376 17.6376 20.2183 20.2183 k = 0.1333-0.0943 0.1633 ( 827 PWs) bands (ev): -46.2337 -46.2337 -20.3716 -20.3716 -12.5763 -12.5763 -12.4822 -12.4822 9.1703 9.1703 16.2715 16.2715 16.4838 16.4838 17.1729 17.1729 17.5449 17.5449 20.2657 20.2657 k = 0.1389-0.0982 0.1701 ( 827 PWs) bands (ev): -46.2316 -46.2316 -20.3781 -20.3781 -12.5921 -12.5921 -12.4924 -12.4924 9.2732 9.2732 16.2675 16.2675 16.4821 16.4821 17.1565 17.1565 17.4863 17.4863 20.3122 20.3122 k = 0.1444-0.1021 0.1769 ( 827 PWs) bands (ev): -46.2295 -46.2295 -20.3847 -20.3847 -12.6081 -12.6081 -12.5029 -12.5029 9.3789 9.3789 16.2650 16.2650 16.4804 16.4804 17.0966 17.0966 17.4747 17.4747 20.3573 20.3573 k = 0.1500-0.1061 0.1837 ( 827 PWs) bands (ev): -46.2273 -46.2273 -20.3915 -20.3915 -12.6243 -12.6243 -12.5137 -12.5137 9.4873 9.4873 16.2641 16.2641 16.4777 16.4777 17.0066 17.0066 17.4978 17.4978 20.4006 20.4006 k = 0.1556-0.1100 0.1905 ( 815 PWs) bands (ev): -46.2250 -46.2250 -20.3981 -20.3981 -12.6403 -12.6403 -12.5247 -12.5247 9.5983 9.5983 16.2650 16.2650 16.4723 16.4723 16.9057 16.9057 17.5388 17.5388 20.4415 20.4415 k = 0.1611-0.1139 0.1973 ( 815 PWs) bands (ev): -46.2227 -46.2227 -20.4051 -20.4051 -12.6567 -12.6567 -12.5360 -12.5360 9.7115 9.7115 16.2677 16.2677 16.4597 16.4597 16.8069 16.8069 17.5891 17.5891 20.4793 20.4793 k = 0.1667-0.1179 0.2041 ( 815 PWs) bands (ev): -46.2204 -46.2204 -20.4122 -20.4122 -12.6731 -12.6731 -12.5477 -12.5477 9.8269 9.8269 16.2723 16.2723 16.4309 16.4309 16.7230 16.7230 17.6451 17.6451 20.5133 20.5133 k = 0.1722-0.1218 0.2109 ( 815 PWs) bands (ev): -46.2180 -46.2180 -20.4195 -20.4195 -12.6896 -12.6896 -12.5596 -12.5596 9.9443 9.9443 16.2790 16.2790 16.3741 16.3741 16.6679 16.6679 17.7053 17.7053 20.5430 20.5430 k = 0.1778-0.1257 0.2177 ( 819 PWs) bands (ev): -46.2156 -46.2156 -20.4269 -20.4269 -12.7063 -12.7063 -12.5718 -12.5718 10.0634 10.0634 16.2878 16.2878 16.2882 16.2882 16.6436 16.6436 17.7687 17.7687 20.5677 20.5677 k = 0.1833-0.1296 0.2245 ( 819 PWs) bands (ev): -46.2132 -46.2132 -20.4343 -20.4343 -12.7227 -12.7227 -12.5841 -12.5841 10.1840 10.1840 16.1844 16.1844 16.2988 16.2988 16.6395 16.6395 17.8348 17.8348 20.5867 20.5867 k = 0.1889-0.1336 0.2313 ( 827 PWs) bands (ev): -46.2107 -46.2107 -20.4420 -20.4420 -12.7392 -12.7392 -12.5969 -12.5969 10.3060 10.3060 16.0720 16.0720 16.3121 16.3121 16.6469 16.6469 17.9034 17.9034 20.5994 20.5994 k = 0.1944-0.1375 0.2381 ( 819 PWs) bands (ev): -46.2082 -46.2082 -20.4492 -20.4492 -12.7553 -12.7553 -12.6095 -12.6095 10.4290 10.4290 15.9558 15.9558 16.3278 16.3278 16.6614 16.6614 17.9743 17.9743 20.6052 20.6052 k = 0.2000-0.1414 0.2449 ( 819 PWs) bands (ev): -46.2057 -46.2057 -20.4567 -20.4567 -12.7713 -12.7713 -12.6225 -12.6225 10.5529 10.5529 15.8380 15.8380 16.3459 16.3459 16.6810 16.6810 18.0473 18.0473 20.6037 20.6037 k = 0.2056-0.1453 0.2518 ( 819 PWs) bands (ev): -46.2032 -46.2032 -20.4642 -20.4642 -12.7873 -12.7873 -12.6356 -12.6356 10.6773 10.6773 15.7197 15.7197 16.3666 16.3666 16.7047 16.7047 18.1223 18.1223 20.5945 20.5945 k = 0.2111-0.1493 0.2586 ( 819 PWs) bands (ev): -46.2006 -46.2006 -20.4717 -20.4717 -12.8030 -12.8030 -12.6489 -12.6489 10.8020 10.8020 15.6017 15.6017 16.3898 16.3898 16.7322 16.7322 18.1992 18.1992 20.5776 20.5776 k = 0.2167-0.1532 0.2654 ( 819 PWs) bands (ev): -46.1981 -46.1981 -20.4793 -20.4793 -12.8185 -12.8185 -12.6623 -12.6623 10.9266 10.9266 15.4845 15.4845 16.4156 16.4156 16.7630 16.7630 18.2779 18.2779 20.5528 20.5528 k = 0.2222-0.1571 0.2722 ( 819 PWs) bands (ev): -46.1955 -46.1955 -20.4868 -20.4868 -12.8337 -12.8337 -12.6758 -12.6758 11.0510 11.0510 15.3682 15.3682 16.4441 16.4441 16.7972 16.7972 18.3584 18.3584 20.5204 20.5204 k = 0.2278-0.1611 0.2790 ( 819 PWs) bands (ev): -46.1929 -46.1929 -20.4943 -20.4943 -12.8487 -12.8487 -12.6894 -12.6894 11.1746 11.1746 15.2532 15.2532 16.4753 16.4753 16.8346 16.8346 18.4405 18.4405 20.4807 20.4807 k = 0.2333-0.1650 0.2858 ( 819 PWs) bands (ev): -46.1904 -46.1904 -20.5017 -20.5017 -12.8634 -12.8634 -12.7031 -12.7031 11.2972 11.2972 15.1395 15.1395 16.5092 16.5092 16.8751 16.8751 18.5243 18.5243 20.4344 20.4344 k = 0.2389-0.1689 0.2926 ( 819 PWs) bands (ev): -46.1878 -46.1878 -20.5091 -20.5091 -12.8777 -12.8777 -12.7169 -12.7169 11.4184 11.4184 15.0273 15.0273 16.5459 16.5459 16.9189 16.9189 18.6095 18.6095 20.3822 20.3822 k = 0.2444-0.1728 0.2994 ( 819 PWs) bands (ev): -46.1853 -46.1853 -20.5165 -20.5165 -12.8918 -12.8918 -12.7307 -12.7307 11.5378 11.5378 14.9168 14.9168 16.5855 16.5855 16.9658 16.9658 18.6963 18.6963 20.3252 20.3252 k = 0.2500-0.1768 0.3062 ( 811 PWs) bands (ev): -46.1827 -46.1827 -20.5235 -20.5235 -12.9053 -12.9053 -12.7444 -12.7444 11.6550 11.6550 14.8079 14.8079 16.6278 16.6278 17.0160 17.0160 18.7844 18.7844 20.2643 20.2643 k = 0.2556-0.1807 0.3130 ( 811 PWs) bands (ev): -46.1801 -46.1801 -20.5307 -20.5307 -12.9186 -12.9186 -12.7583 -12.7583 11.7695 11.7695 14.7009 14.7009 16.6730 16.6730 17.0693 17.0693 18.8739 18.8739 20.2007 20.2007 k = 0.2611-0.1846 0.3198 ( 811 PWs) bands (ev): -46.1776 -46.1776 -20.5379 -20.5379 -12.9315 -12.9315 -12.7722 -12.7722 11.8808 11.8808 14.5957 14.5957 16.7210 16.7210 17.1259 17.1259 18.9646 18.9646 20.1358 20.1358 k = 0.2667-0.1886 0.3266 ( 811 PWs) bands (ev): -46.1751 -46.1751 -20.5449 -20.5449 -12.9441 -12.9441 -12.7860 -12.7860 11.9885 11.9885 14.4924 14.4924 16.7718 16.7718 17.1857 17.1857 19.0565 19.0565 20.0708 20.0708 k = 0.2722-0.1925 0.3334 ( 811 PWs) bands (ev): -46.1726 -46.1726 -20.5519 -20.5519 -12.9563 -12.9563 -12.7999 -12.7999 12.0920 12.0920 14.3911 14.3911 16.8254 16.8254 17.2487 17.2487 19.1494 19.1494 20.0070 20.0070 k = 0.2778-0.1964 0.3402 ( 811 PWs) bands (ev): -46.1702 -46.1702 -20.5587 -20.5587 -12.9680 -12.9680 -12.8136 -12.8136 12.1909 12.1909 14.2917 14.2917 16.8819 16.8819 17.3151 17.3151 19.2434 19.2434 19.9458 19.9458 k = 0.2833-0.2003 0.3470 ( 819 PWs) bands (ev): -46.1678 -46.1678 -20.5657 -20.5657 -12.9794 -12.9794 -12.8276 -12.8276 12.2846 12.2846 14.1945 14.1945 16.9412 16.9412 17.3846 17.3846 19.3384 19.3384 19.8885 19.8885 k = 0.2889-0.2043 0.3538 ( 811 PWs) bands (ev): -46.1653 -46.1653 -20.5721 -20.5721 -12.9900 -12.9900 -12.8412 -12.8412 12.3727 12.3727 14.0994 14.0994 17.0033 17.0033 17.4575 17.4575 19.4341 19.4341 19.8363 19.8363 k = 0.2944-0.2082 0.3606 ( 811 PWs) bands (ev): -46.1630 -46.1630 -20.5786 -20.5786 -13.0005 -13.0005 -12.8547 -12.8547 12.4546 12.4546 14.0064 14.0064 17.0681 17.0681 17.5336 17.5336 19.5306 19.5306 19.7903 19.7903 k = 0.3000-0.2121 0.3674 ( 811 PWs) bands (ev): -46.1606 -46.1606 -20.5850 -20.5850 -13.0106 -13.0106 -12.8681 -12.8681 12.5299 12.5299 13.9155 13.9155 17.1358 17.1358 17.6131 17.6131 19.6278 19.6278 19.7517 19.7517 k = 0.3056-0.2161 0.3742 ( 807 PWs) bands (ev): -46.1583 -46.1583 -20.5911 -20.5911 -13.0201 -13.0201 -12.8813 -12.8813 12.5981 12.5981 13.8269 13.8269 17.2062 17.2062 17.6958 17.6958 19.7214 19.7214 19.7254 19.7254 k = 0.3111-0.2200 0.3810 ( 807 PWs) bands (ev): -46.1561 -46.1561 -20.5972 -20.5972 -13.0293 -13.0293 -12.8944 -12.8944 12.6589 12.6589 13.7406 13.7406 17.2793 17.2793 17.7818 17.7818 19.7002 19.7002 19.8235 19.8235 k = 0.3167-0.2239 0.3878 ( 807 PWs) bands (ev): -46.1539 -46.1539 -20.6031 -20.6031 -13.0381 -13.0381 -12.9073 -12.9073 12.7120 12.7120 13.6565 13.6565 17.3552 17.3552 17.8712 17.8712 19.6889 19.6889 19.9219 19.9219 k = 0.3222-0.2278 0.3946 ( 807 PWs) bands (ev): -46.1517 -46.1517 -20.6089 -20.6089 -13.0465 -13.0465 -12.9201 -12.9201 12.7573 12.7573 13.5746 13.5746 17.4339 17.4339 17.9638 17.9638 19.6880 19.6880 20.0205 20.0205 k = 0.3278-0.2318 0.4014 ( 807 PWs) bands (ev): -46.1496 -46.1496 -20.6146 -20.6146 -13.0544 -13.0544 -12.9326 -12.9326 12.7946 12.7946 13.4952 13.4952 17.5154 17.5154 18.0597 18.0597 19.6979 19.6979 20.1192 20.1192 k = 0.3333-0.2357 0.4082 ( 815 PWs) bands (ev): -46.1475 -46.1475 -20.6203 -20.6203 -13.0622 -13.0622 -12.9450 -12.9450 12.8239 12.8239 13.4180 13.4180 17.5998 17.5998 18.1590 18.1590 19.7189 19.7189 20.2177 20.2177 k = 0.3389-0.2396 0.4151 ( 815 PWs) bands (ev): -46.1455 -46.1455 -20.6257 -20.6257 -13.0694 -13.0694 -12.9571 -12.9571 12.8454 12.8454 13.3432 13.3432 17.6871 17.6871 18.2615 18.2615 19.7509 19.7509 20.3161 20.3161 k = 0.3444-0.2436 0.4219 ( 815 PWs) bands (ev): -46.1435 -46.1435 -20.6308 -20.6308 -13.0761 -13.0761 -12.9689 -12.9689 12.8593 12.8593 13.2708 13.2708 17.7773 17.7773 18.3673 18.3673 19.7939 19.7939 20.4140 20.4140 k = 0.3500-0.2475 0.4287 ( 815 PWs) bands (ev): -46.1416 -46.1416 -20.6358 -20.6358 -13.0824 -13.0824 -12.9805 -12.9805 12.8660 12.8660 13.2008 13.2008 17.8706 17.8706 18.4763 18.4763 19.8476 19.8476 20.5115 20.5115 k = 0.3556-0.2514 0.4355 ( 816 PWs) bands (ev): -46.1398 -46.1398 -20.6407 -20.6407 -13.0884 -13.0884 -12.9918 -12.9918 12.8659 12.8659 13.1332 13.1332 17.9669 17.9669 18.5886 18.5886 19.9116 19.9116 20.6082 20.6082 k = 0.3611-0.2553 0.4423 ( 812 PWs) bands (ev): -46.1379 -46.1379 -20.6452 -20.6452 -13.0938 -13.0938 -13.0028 -13.0028 12.8595 12.8595 13.0681 13.0681 18.0664 18.0664 18.7042 18.7042 19.9854 19.9854 20.7040 20.7040 k = 0.3667-0.2593 0.4491 ( 812 PWs) bands (ev): -46.1362 -46.1362 -20.6497 -20.6497 -13.0991 -13.0991 -13.0134 -13.0134 12.8473 12.8473 13.0054 13.0054 18.1691 18.1691 18.8229 18.8229 20.0684 20.0684 20.7988 20.7988 k = 0.3722-0.2632 0.4559 ( 812 PWs) bands (ev): -46.1345 -46.1345 -20.6540 -20.6540 -13.1039 -13.1039 -13.0238 -13.0238 12.8301 12.8301 12.9451 12.9451 18.2750 18.2750 18.9449 18.9449 20.1599 20.1599 20.8924 20.8924 k = 0.3778-0.2671 0.4627 ( 812 PWs) bands (ev): -46.1329 -46.1329 -20.6581 -20.6581 -13.1085 -13.1085 -13.0338 -13.0338 12.8083 12.8083 12.8874 12.8874 18.3841 18.3841 19.0700 19.0700 20.2592 20.2592 20.9845 20.9845 k = 0.3833-0.2711 0.4695 ( 812 PWs) bands (ev): -46.1313 -46.1313 -20.6621 -20.6621 -13.1127 -13.1127 -13.0435 -13.0435 12.7827 12.7827 12.8321 12.8321 18.4964 18.4964 19.1982 19.1982 20.3654 20.3654 21.0750 21.0750 k = 0.3889-0.2750 0.4763 ( 812 PWs) bands (ev): -46.1299 -46.1299 -20.6659 -20.6659 -13.1166 -13.1166 -13.0528 -13.0528 12.7540 12.7540 12.7793 12.7793 18.6118 18.6118 19.3296 19.3296 20.4777 20.4777 21.1636 21.1636 k = 0.3944-0.2789 0.4831 ( 820 PWs) bands (ev): -46.1285 -46.1285 -20.6697 -20.6697 -13.1204 -13.1204 -13.0619 -13.0619 12.7228 12.7228 12.7290 12.7290 18.7304 18.7304 19.4641 19.4641 20.5953 20.5953 21.2502 21.2502 k = 0.4000-0.2828 0.4899 ( 820 PWs) bands (ev): -46.1271 -46.1271 -20.6731 -20.6731 -13.1237 -13.1237 -13.0704 -13.0704 12.6813 12.6813 12.6896 12.6896 18.8520 18.8520 19.6016 19.6016 20.7172 20.7172 21.3345 21.3345 k = 0.4056-0.2868 0.4967 ( 820 PWs) bands (ev): -46.1258 -46.1258 -20.6764 -20.6764 -13.1268 -13.1268 -13.0786 -13.0786 12.6361 12.6361 12.6551 12.6551 18.9767 18.9767 19.7420 19.7420 20.8425 20.8425 21.4162 21.4162 k = 0.4111-0.2907 0.5035 ( 820 PWs) bands (ev): -46.1246 -46.1246 -20.6794 -20.6794 -13.1295 -13.1295 -13.0863 -13.0863 12.5934 12.5934 12.6198 12.6198 19.1041 19.1041 19.8854 19.8854 20.9701 20.9701 21.4953 21.4953 k = 0.4167-0.2946 0.5103 ( 820 PWs) bands (ev): -46.1234 -46.1234 -20.6823 -20.6823 -13.1321 -13.1321 -13.0936 -13.0936 12.5533 12.5533 12.5843 12.5843 19.2344 19.2344 20.0316 20.0316 21.0990 21.0990 21.5714 21.5714 k = 0.4222-0.2986 0.5171 ( 820 PWs) bands (ev): -46.1223 -46.1223 -20.6850 -20.6850 -13.1344 -13.1344 -13.1005 -13.1005 12.5157 12.5157 12.5491 12.5491 19.3672 19.3672 20.1806 20.1806 21.2279 21.2279 21.6443 21.6443 k = 0.4278-0.3025 0.5239 ( 824 PWs) bands (ev): -46.1214 -46.1214 -20.6876 -20.6876 -13.1366 -13.1366 -13.1070 -13.1070 12.4807 12.4807 12.5144 12.5144 19.5025 19.5025 20.3322 20.3322 21.3557 21.3557 21.7139 21.7139 k = 0.4333-0.3064 0.5307 ( 824 PWs) bands (ev): -46.1204 -46.1204 -20.6899 -20.6899 -13.1385 -13.1385 -13.1130 -13.1130 12.4483 12.4483 12.4809 12.4809 19.6399 19.6399 20.4863 20.4863 21.4808 21.4808 21.7800 21.7800 k = 0.4389-0.3103 0.5375 ( 824 PWs) bands (ev): -46.1195 -46.1195 -20.6920 -20.6920 -13.1402 -13.1402 -13.1186 -13.1186 12.4184 12.4184 12.4488 12.4488 19.7792 19.7792 20.6426 20.6426 21.6015 21.6015 21.8425 21.8425 k = 0.4444-0.3143 0.5443 ( 824 PWs) bands (ev): -46.1188 -46.1188 -20.6939 -20.6939 -13.1417 -13.1417 -13.1237 -13.1237 12.3911 12.3911 12.4185 12.4185 19.9201 19.9201 20.8009 20.8009 21.7158 21.7158 21.9013 21.9013 k = 0.4500-0.3182 0.5511 ( 824 PWs) bands (ev): -46.1180 -46.1180 -20.6957 -20.6957 -13.1430 -13.1430 -13.1283 -13.1283 12.3664 12.3664 12.3902 12.3902 20.0620 20.0620 20.9607 20.9607 21.8213 21.8213 21.9564 21.9564 k = 0.4556-0.3221 0.5579 ( 832 PWs) bands (ev): -46.1174 -46.1174 -20.6975 -20.6975 -13.1442 -13.1442 -13.1327 -13.1327 12.3443 12.3443 12.3642 12.3642 20.2043 20.2043 21.1213 21.1213 21.9150 21.9150 22.0082 22.0082 k = 0.4611-0.3261 0.5647 ( 832 PWs) bands (ev): -46.1169 -46.1169 -20.6989 -20.6989 -13.1452 -13.1452 -13.1364 -13.1364 12.3248 12.3248 12.3408 12.3408 20.3462 20.3462 21.2816 21.2816 21.9931 21.9931 22.0572 22.0572 k = 0.4667-0.3300 0.5715 ( 832 PWs) bands (ev): -46.1164 -46.1164 -20.7001 -20.7001 -13.1460 -13.1460 -13.1396 -13.1396 12.3079 12.3079 12.3201 12.3201 20.4862 20.4862 21.4396 21.4396 22.0510 22.0510 22.1048 22.1048 k = 0.4722-0.3339 0.5784 ( 832 PWs) bands (ev): -46.1159 -46.1159 -20.7011 -20.7011 -13.1467 -13.1467 -13.1423 -13.1423 12.2936 12.2936 12.3023 12.3023 20.6225 20.6225 21.5916 21.5916 22.0842 22.0842 22.1535 22.1535 k = 0.4778-0.3378 0.5852 ( 836 PWs) bands (ev): -46.1156 -46.1156 -20.7021 -20.7021 -13.1474 -13.1474 -13.1447 -13.1447 12.2818 12.2818 12.2876 12.2876 20.7520 20.7520 21.7312 21.7312 22.0898 22.0898 22.2086 22.2086 k = 0.4833-0.3418 0.5920 ( 836 PWs) bands (ev): -46.1153 -46.1153 -20.7027 -20.7027 -13.1478 -13.1478 -13.1464 -13.1464 12.2727 12.2727 12.2760 12.2760 20.8697 20.8697 21.8476 21.8476 22.0703 22.0703 22.2778 22.2778 k = 0.4889-0.3457 0.5988 ( 844 PWs) bands (ev): -46.1152 -46.1152 -20.7034 -20.7034 -13.1483 -13.1483 -13.1479 -13.1479 12.2662 12.2662 12.2677 12.2677 20.9678 20.9678 21.9299 21.9299 22.0359 22.0359 22.3657 22.3657 k = 0.4944-0.3496 0.6056 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7041 -20.7041 -13.1489 -13.1489 -13.1487 -13.1487 12.2623 12.2623 12.2627 12.2627 21.0352 21.0352 21.9758 21.9758 22.0034 22.0034 22.4579 22.4579 k = 0.5000-0.3536 0.6124 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7042 -20.7042 -13.1489 -13.1489 -13.1489 -13.1489 12.2610 12.2610 12.2610 12.2610 21.0597 21.0597 21.9900 21.9900 21.9900 21.9900 22.5038 22.5038 k = 0.5000-0.3536 0.6124 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7042 -20.7042 -13.1489 -13.1489 -13.1489 -13.1489 12.2610 12.2610 12.2610 12.2610 21.0597 21.0597 21.9900 21.9900 21.9900 21.9900 22.5038 22.5038 k = 0.4922-0.3480 0.6124 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7041 -20.7041 -13.1490 -13.1490 -13.1486 -13.1486 12.2623 12.2623 12.2626 12.2626 21.0354 21.0354 21.9777 21.9777 22.0015 22.0015 22.4582 22.4582 k = 0.4844-0.3425 0.6124 ( 842 PWs) bands (ev): -46.1152 -46.1152 -20.7033 -20.7033 -13.1489 -13.1489 -13.1471 -13.1471 12.2664 12.2664 12.2674 12.2674 20.9672 20.9672 21.9351 21.9351 22.0317 22.0317 22.3675 22.3675 k = 0.4766-0.3370 0.6124 ( 832 PWs) bands (ev): -46.1153 -46.1153 -20.7026 -20.7026 -13.1489 -13.1489 -13.1452 -13.1452 12.2731 12.2731 12.2754 12.2754 20.8653 20.8653 21.8498 21.8498 22.0714 22.0714 22.2882 22.2882 k = 0.4688-0.3315 0.6124 ( 828 PWs) bands (ev): -46.1156 -46.1156 -20.7018 -20.7018 -13.1491 -13.1491 -13.1427 -13.1427 12.2824 12.2824 12.2866 12.2866 20.7395 20.7395 21.7200 21.7200 22.1124 22.1124 22.2395 22.2395 k = 0.4609-0.3259 0.6124 ( 828 PWs) bands (ev): -46.1159 -46.1159 -20.7010 -20.7010 -13.1495 -13.1495 -13.1395 -13.1395 12.2944 12.2944 12.3009 12.3009 20.5972 20.5972 21.5592 21.5592 22.1501 22.1501 22.2145 22.2145 k = 0.4531-0.3204 0.6124 ( 820 PWs) bands (ev): -46.1163 -46.1163 -20.6998 -20.6998 -13.1497 -13.1497 -13.1356 -13.1356 12.3089 12.3089 12.3184 12.3184 20.4434 20.4434 21.3812 21.3812 22.1825 22.1825 22.2033 22.2033 k = 0.4453-0.3149 0.6124 ( 820 PWs) bands (ev): -46.1168 -46.1168 -20.6986 -20.6986 -13.1503 -13.1503 -13.1311 -13.1311 12.3260 12.3260 12.3391 12.3391 20.2816 20.2816 21.1938 21.1938 22.1972 22.1972 22.2120 22.2120 k = 0.4375-0.3094 0.6124 ( 820 PWs) bands (ev): -46.1173 -46.1173 -20.6973 -20.6973 -13.1509 -13.1509 -13.1260 -13.1260 12.3454 12.3454 12.3628 12.3628 20.1141 20.1141 21.0012 21.0012 22.1977 22.1977 22.2345 22.2345 k = 0.4297-0.3038 0.6124 ( 820 PWs) bands (ev): -46.1180 -46.1180 -20.6958 -20.6958 -13.1516 -13.1516 -13.1202 -13.1202 12.3671 12.3671 12.3897 12.3897 19.9426 19.9426 20.8060 20.8060 22.2004 22.2004 22.2540 22.2540 k = 0.4219-0.2983 0.6124 ( 820 PWs) bands (ev): -46.1186 -46.1186 -20.6941 -20.6941 -13.1524 -13.1524 -13.1137 -13.1137 12.3911 12.3911 12.4196 12.4196 19.7684 19.7684 20.6096 20.6096 22.2050 22.2050 22.2707 22.2707 k = 0.4141-0.2928 0.6124 ( 820 PWs) bands (ev): -46.1194 -46.1194 -20.6923 -20.6923 -13.1532 -13.1532 -13.1066 -13.1066 12.4172 12.4172 12.4525 12.4525 19.5926 19.5926 20.4131 20.4131 22.2109 22.2109 22.2852 22.2852 k = 0.4062-0.2873 0.6124 ( 820 PWs) bands (ev): -46.1202 -46.1202 -20.6903 -20.6903 -13.1541 -13.1541 -13.0989 -13.0989 12.4451 12.4451 12.4884 12.4884 19.4162 19.4162 20.2172 20.2172 22.2179 22.2179 22.2981 22.2981 k = 0.3984-0.2817 0.6124 ( 820 PWs) bands (ev): -46.1211 -46.1211 -20.6882 -20.6882 -13.1551 -13.1551 -13.0906 -13.0906 12.4749 12.4749 12.5273 12.5273 19.2397 19.2397 20.0227 20.0227 22.2256 22.2256 22.3096 22.3096 k = 0.3906-0.2762 0.6124 ( 818 PWs) bands (ev): -46.1220 -46.1220 -20.6859 -20.6859 -13.1561 -13.1561 -13.0816 -13.0816 12.5062 12.5062 12.5690 12.5690 19.0641 19.0641 19.8299 19.8299 22.2338 22.2338 22.3202 22.3202 k = 0.3828-0.2707 0.6124 ( 818 PWs) bands (ev): -46.1230 -46.1230 -20.6835 -20.6835 -13.1572 -13.1572 -13.0721 -13.0721 12.5388 12.5388 12.6137 12.6137 18.8899 18.8899 19.6392 19.6392 22.2421 22.2421 22.3302 22.3302 k = 0.3750-0.2652 0.6124 ( 818 PWs) bands (ev): -46.1241 -46.1241 -20.6809 -20.6809 -13.1583 -13.1583 -13.0621 -13.0621 12.5725 12.5725 12.6611 12.6611 18.7178 18.7178 19.4509 19.4509 22.2503 22.2503 22.3399 22.3399 k = 0.3672-0.2596 0.6124 ( 818 PWs) bands (ev): -46.1252 -46.1252 -20.6783 -20.6783 -13.1595 -13.1595 -13.0516 -13.0516 12.6069 12.6069 12.7114 12.7114 18.5483 18.5483 19.2654 19.2654 22.2580 22.2580 22.3495 22.3495 k = 0.3594-0.2541 0.6124 ( 814 PWs) bands (ev): -46.1264 -46.1264 -20.6754 -20.6754 -13.1606 -13.1606 -13.0404 -13.0404 12.6418 12.6418 12.7643 12.7643 18.3822 18.3822 19.0830 19.0830 22.2646 22.2646 22.3595 22.3595 k = 0.3516-0.2486 0.6124 ( 814 PWs) bands (ev): -46.1276 -46.1276 -20.6725 -20.6725 -13.1618 -13.1618 -13.0289 -13.0289 12.6766 12.6766 12.8200 12.8200 18.2201 18.2201 18.9037 18.9037 22.2697 22.2697 22.3701 22.3701 k = 0.3438-0.2431 0.6124 ( 814 PWs) bands (ev): -46.1288 -46.1288 -20.6695 -20.6695 -13.1631 -13.1631 -13.0169 -13.0169 12.7111 12.7111 12.8783 12.8783 18.0625 18.0625 18.7280 18.7280 22.2730 22.2730 22.3817 22.3817 k = 0.3359-0.2375 0.6124 ( 814 PWs) bands (ev): -46.1301 -46.1301 -20.6664 -20.6664 -13.1644 -13.1644 -13.0045 -13.0045 12.7448 12.7448 12.9391 12.9391 17.9100 17.9100 18.5561 18.5561 22.2739 22.2739 22.3945 22.3945 k = 0.3281-0.2320 0.6124 ( 814 PWs) bands (ev): -46.1315 -46.1315 -20.6632 -20.6632 -13.1656 -13.1656 -12.9916 -12.9916 12.7770 12.7770 13.0024 13.0024 17.7632 17.7632 18.3884 18.3884 22.2725 22.2725 22.4084 22.4084 k = 0.3203-0.2265 0.6124 ( 806 PWs) bands (ev): -46.1328 -46.1328 -20.6597 -20.6597 -13.1668 -13.1668 -12.9783 -12.9783 12.8072 12.8072 13.0682 13.0682 17.6225 17.6225 18.2251 18.2251 22.2683 22.2683 22.4235 22.4235 k = 0.3125-0.2210 0.6124 ( 806 PWs) bands (ev): -46.1342 -46.1342 -20.6564 -20.6564 -13.1681 -13.1681 -12.9647 -12.9647 12.8349 12.8349 13.1364 13.1364 17.4885 17.4885 18.0668 18.0668 22.2615 22.2615 22.4397 22.4397 k = 0.3047-0.2154 0.6124 ( 806 PWs) bands (ev): -46.1356 -46.1356 -20.6530 -20.6530 -13.1694 -13.1694 -12.9508 -12.9508 12.8593 12.8593 13.2069 13.2069 17.3611 17.3611 17.9142 17.9142 22.2518 22.2518 22.4568 22.4568 k = 0.2969-0.2099 0.6124 ( 806 PWs) bands (ev): -46.1371 -46.1371 -20.6496 -20.6496 -13.1707 -13.1707 -12.9366 -12.9366 12.8798 12.8798 13.2796 13.2796 17.2406 17.2406 17.7683 17.7683 22.2392 22.2392 22.4747 22.4747 k = 0.2891-0.2044 0.6124 ( 806 PWs) bands (ev): -46.1385 -46.1385 -20.6461 -20.6461 -13.1720 -13.1720 -12.9222 -12.9222 12.8957 12.8957 13.3545 13.3545 17.1263 17.1263 17.6304 17.6304 22.2236 22.2236 22.4934 22.4934 k = 0.2812-0.1989 0.6124 ( 814 PWs) bands (ev): -46.1401 -46.1401 -20.6428 -20.6428 -13.1734 -13.1734 -12.9078 -12.9078 12.9064 12.9064 13.4315 13.4315 17.0172 17.0172 17.5022 17.5022 22.2050 22.2050 22.5127 22.5127 k = 0.2734-0.1933 0.6124 ( 814 PWs) bands (ev): -46.1416 -46.1416 -20.6393 -20.6393 -13.1746 -13.1746 -12.8929 -12.8929 12.9113 12.9113 13.5105 13.5105 16.9118 16.9118 17.3863 17.3863 22.1832 22.1832 22.5325 22.5325 k = 0.2656-0.1878 0.6124 ( 810 PWs) bands (ev): -46.1431 -46.1431 -20.6356 -20.6356 -13.1758 -13.1758 -12.8778 -12.8778 12.9099 12.9099 13.5915 13.5915 16.8079 16.8079 17.2853 17.2853 22.1582 22.1582 22.5527 22.5527 k = 0.2578-0.1823 0.6124 ( 810 PWs) bands (ev): -46.1446 -46.1446 -20.6320 -20.6320 -13.1771 -13.1771 -12.8626 -12.8626 12.9018 12.9018 13.6743 13.6743 16.7034 16.7034 17.2019 17.2019 22.1299 22.1299 22.5733 22.5733 k = 0.2500-0.1768 0.6124 ( 812 PWs) bands (ev): -46.1461 -46.1461 -20.6285 -20.6285 -13.1783 -13.1783 -12.8475 -12.8475 12.8869 12.8869 13.7588 13.7588 16.5968 16.5968 17.1379 17.1379 22.0982 22.0982 22.5942 22.5942 k = 0.2422-0.1713 0.6124 ( 804 PWs) bands (ev): -46.1476 -46.1476 -20.6247 -20.6247 -13.1793 -13.1793 -12.8320 -12.8320 12.8651 12.8651 13.8450 13.8450 16.4879 16.4879 17.0937 17.0937 22.0631 22.0631 22.6153 22.6153 k = 0.2344-0.1657 0.6124 ( 804 PWs) bands (ev): -46.1492 -46.1492 -20.6211 -20.6211 -13.1804 -13.1804 -12.8167 -12.8167 12.8364 12.8364 13.9326 13.9326 16.3772 16.3772 17.0687 17.0687 22.0246 22.0246 22.6366 22.6366 k = 0.2266-0.1602 0.6124 ( 804 PWs) bands (ev): -46.1507 -46.1507 -20.6176 -20.6176 -13.1815 -13.1815 -12.8014 -12.8014 12.8013 12.8013 14.0217 14.0217 16.2658 16.2658 17.0616 17.0616 21.9827 21.9827 22.6579 22.6579 k = 0.2188-0.1547 0.6124 ( 804 PWs) bands (ev): -46.1522 -46.1522 -20.6141 -20.6141 -13.1826 -13.1826 -12.7862 -12.7862 12.7602 12.7602 14.1120 14.1120 16.1547 16.1547 17.0708 17.0708 21.9373 21.9373 22.6793 22.6793 k = 0.2109-0.1492 0.6124 ( 802 PWs) bands (ev): -46.1537 -46.1537 -20.6106 -20.6106 -13.1836 -13.1836 -12.7711 -12.7711 12.7137 12.7137 14.2035 14.2035 16.0448 16.0448 17.0951 17.0951 21.8887 21.8887 22.7007 22.7007 k = 0.2031-0.1436 0.6124 ( 802 PWs) bands (ev): -46.1551 -46.1551 -20.6072 -20.6072 -13.1845 -13.1845 -12.7561 -12.7561 12.6624 12.6624 14.2959 14.2959 15.9369 15.9369 17.1329 17.1329 21.8367 21.8367 22.7219 22.7219 k = 0.1953-0.1381 0.6124 ( 808 PWs) bands (ev): -46.1566 -46.1566 -20.6040 -20.6040 -13.1856 -13.1856 -12.7415 -12.7415 12.6071 12.6071 14.3891 14.3891 15.8315 15.8315 17.1829 17.1829 21.7816 21.7816 22.7430 22.7430 k = 0.1875-0.1326 0.6124 ( 808 PWs) bands (ev): -46.1580 -46.1580 -20.6007 -20.6007 -13.1864 -13.1864 -12.7269 -12.7269 12.5486 12.5486 14.4829 14.4829 15.7290 15.7290 17.2441 17.2441 21.7236 21.7236 22.7639 22.7639 k = 0.1797-0.1271 0.6124 ( 808 PWs) bands (ev): -46.1594 -46.1594 -20.5975 -20.5975 -13.1873 -13.1873 -12.7125 -12.7125 12.4876 12.4876 14.5771 14.5771 15.6297 15.6297 17.3153 17.3153 21.6627 21.6627 22.7845 22.7845 k = 0.1719-0.1215 0.6124 ( 808 PWs) bands (ev): -46.1608 -46.1608 -20.5944 -20.5944 -13.1881 -13.1881 -12.6985 -12.6985 12.4248 12.4248 14.6714 14.6714 15.5341 15.5341 17.3953 17.3953 21.5992 21.5992 22.8048 22.8048 k = 0.1641-0.1160 0.6124 ( 808 PWs) bands (ev): -46.1621 -46.1621 -20.5914 -20.5914 -13.1889 -13.1889 -12.6847 -12.6847 12.3609 12.3609 14.7654 14.7654 15.4425 15.4425 17.4832 17.4832 21.5334 21.5334 22.8247 22.8247 k = 0.1562-0.1105 0.6124 ( 808 PWs) bands (ev): -46.1634 -46.1634 -20.5884 -20.5884 -13.1896 -13.1896 -12.6713 -12.6713 12.2966 12.2966 14.8585 14.8585 15.3553 15.3553 17.5780 17.5780 21.4656 21.4656 22.8441 22.8441 k = 0.1484-0.1050 0.6124 ( 808 PWs) bands (ev): -46.1646 -46.1646 -20.5856 -20.5856 -13.1902 -13.1902 -12.6583 -12.6583 12.2324 12.2324 14.9490 14.9490 15.2741 15.2741 17.6788 17.6788 21.3960 21.3960 22.8631 22.8631 k = 0.1406-0.0994 0.6124 ( 808 PWs) bands (ev): -46.1658 -46.1658 -20.5828 -20.5828 -13.1909 -13.1909 -12.6458 -12.6458 12.1690 12.1690 15.0308 15.0308 15.2050 15.2050 17.7846 17.7846 21.3250 21.3250 22.8815 22.8815 k = 0.1328-0.0939 0.6124 ( 808 PWs) bands (ev): -46.1670 -46.1670 -20.5802 -20.5802 -13.1915 -13.1915 -12.6337 -12.6337 12.1068 12.1068 15.0625 15.0625 15.1891 15.1891 17.8945 17.8945 21.2531 21.2531 22.8993 22.8993 k = 0.1250-0.0884 0.6124 ( 810 PWs) bands (ev): -46.1681 -46.1681 -20.5778 -20.5778 -13.1920 -13.1920 -12.6221 -12.6221 12.0463 12.0463 15.0152 15.0152 15.2548 15.2548 18.0077 18.0077 21.1806 21.1806 22.9164 22.9164 k = 0.1172-0.0829 0.6124 ( 818 PWs) bands (ev): -46.1692 -46.1692 -20.5756 -20.5756 -13.1926 -13.1926 -12.6113 -12.6113 11.9878 11.9878 14.9526 14.9526 15.3384 15.3384 18.1233 18.1233 21.1080 21.1080 22.9328 22.9328 k = 0.1094-0.0773 0.6124 ( 814 PWs) bands (ev): -46.1702 -46.1702 -20.5732 -20.5732 -13.1930 -13.1930 -12.6006 -12.6006 11.9317 11.9317 14.8905 14.8905 15.4237 15.4237 18.2402 18.2402 21.0358 21.0358 22.9485 22.9485 k = 0.1016-0.0718 0.6124 ( 814 PWs) bands (ev): -46.1711 -46.1711 -20.5711 -20.5711 -13.1935 -13.1935 -12.5907 -12.5907 11.8783 11.8783 14.8315 14.8315 15.5077 15.5077 18.3576 18.3576 20.9647 20.9647 22.9634 22.9634 k = 0.0938-0.0663 0.6124 ( 814 PWs) bands (ev): -46.1720 -46.1720 -20.5691 -20.5691 -13.1938 -13.1938 -12.5814 -12.5814 11.8279 11.8279 14.7762 14.7762 15.5893 15.5893 18.4743 18.4743 20.8950 20.8950 22.9774 22.9774 k = 0.0859-0.0608 0.6124 ( 818 PWs) bands (ev): -46.1728 -46.1728 -20.5674 -20.5674 -13.1942 -13.1942 -12.5729 -12.5729 11.7808 11.7808 14.7250 14.7250 15.6678 15.6678 18.5892 18.5892 20.8275 20.8275 22.9906 22.9906 k = 0.0781-0.0552 0.6124 ( 822 PWs) bands (ev): -46.1736 -46.1736 -20.5659 -20.5659 -13.1947 -13.1947 -12.5649 -12.5649 11.7371 11.7371 14.6780 14.6780 15.7424 15.7424 18.7012 18.7012 20.7628 20.7628 23.0028 23.0028 k = 0.0703-0.0497 0.6124 ( 822 PWs) bands (ev): -46.1742 -46.1742 -20.5643 -20.5643 -13.1950 -13.1950 -12.5576 -12.5576 11.6970 11.6970 14.6353 14.6353 15.8127 15.8127 18.8090 18.8090 20.7016 20.7016 23.0141 23.0141 k = 0.0625-0.0442 0.6124 ( 816 PWs) bands (ev): -46.1748 -46.1748 -20.5628 -20.5628 -13.1952 -13.1952 -12.5507 -12.5507 11.6608 11.6608 14.5970 14.5970 15.8778 15.8778 18.9112 18.9112 20.6445 20.6445 23.0244 23.0244 k = 0.0547-0.0387 0.6124 ( 816 PWs) bands (ev): -46.1754 -46.1754 -20.5615 -20.5615 -13.1954 -13.1954 -12.5448 -12.5448 11.6285 11.6285 14.5631 14.5631 15.9373 15.9373 19.0062 19.0062 20.5923 20.5923 23.0336 23.0336 k = 0.0469-0.0331 0.6124 ( 814 PWs) bands (ev): -46.1759 -46.1759 -20.5604 -20.5604 -13.1955 -13.1955 -12.5397 -12.5397 11.6003 11.6003 14.5337 14.5337 15.9904 15.9904 19.0927 19.0927 20.5456 20.5456 23.0418 23.0418 k = 0.0391-0.0276 0.6124 ( 818 PWs) bands (ev): -46.1763 -46.1763 -20.5596 -20.5596 -13.1957 -13.1957 -12.5354 -12.5354 11.5762 11.5762 14.5088 14.5088 16.0366 16.0366 19.1691 19.1691 20.5050 20.5050 23.0488 23.0488 k = 0.0312-0.0221 0.6124 ( 814 PWs) bands (ev): -46.1766 -46.1766 -20.5587 -20.5587 -13.1957 -13.1957 -12.5318 -12.5318 11.5565 11.5565 14.4884 14.4884 16.0753 16.0753 19.2340 19.2340 20.4711 20.4711 23.0547 23.0547 k = 0.0234-0.0166 0.6124 ( 814 PWs) bands (ev): -46.1769 -46.1769 -20.5582 -20.5582 -13.1958 -13.1958 -12.5290 -12.5290 11.5410 11.5410 14.4725 14.4725 16.1060 16.1060 19.2859 19.2859 20.4443 20.4443 23.0593 23.0593 k = 0.0156-0.0110 0.6124 ( 814 PWs) bands (ev): -46.1770 -46.1770 -20.5577 -20.5577 -13.1959 -13.1959 -12.5270 -12.5270 11.5299 11.5299 14.4611 14.4611 16.1283 16.1283 19.3239 19.3239 20.4250 20.4250 23.0626 23.0626 k = 0.0078-0.0055 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5575 -20.5575 -13.1959 -13.1959 -12.5258 -12.5258 11.5233 11.5233 14.4543 14.4543 16.1418 16.1418 19.3470 19.3470 20.4133 20.4133 23.0646 23.0646 k = 0.0000 0.0000 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5574 -20.5574 -13.1960 -13.1960 -12.5254 -12.5254 11.5211 11.5211 14.4520 14.4520 16.1463 16.1463 19.3548 19.3548 20.4094 20.4094 23.0653 23.0653 k = 0.0000 0.0000 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5574 -20.5574 -13.1960 -13.1960 -12.5254 -12.5254 11.5211 11.5211 14.4520 14.4520 16.1463 16.1463 19.3548 19.3548 20.4094 20.4094 23.0653 23.0653 k = 0.0000 0.0000 0.6028 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5572 -20.5572 -13.1955 -13.1955 -12.5253 -12.5253 11.5203 11.5203 14.4530 14.4530 16.1417 16.1417 19.3559 19.3559 20.4078 20.4078 23.0558 23.0558 k = 0.0000 0.0000 0.5932 ( 814 PWs) bands (ev): -46.1774 -46.1774 -20.5567 -20.5567 -13.1941 -13.1941 -12.5250 -12.5250 11.5181 11.5181 14.4559 14.4559 16.1279 16.1279 19.3592 19.3592 20.4030 20.4030 23.0274 23.0274 k = 0.0000 0.0000 0.5837 ( 818 PWs) bands (ev): -46.1777 -46.1777 -20.5561 -20.5561 -13.1920 -13.1920 -12.5246 -12.5246 11.5142 11.5142 14.4607 14.4607 16.1053 16.1053 19.3645 19.3645 20.3951 20.3951 22.9808 22.9808 k = 0.0000 0.0000 0.5741 ( 818 PWs) bands (ev): -46.1780 -46.1780 -20.5549 -20.5549 -13.1888 -13.1888 -12.5239 -12.5239 11.5088 11.5088 14.4674 14.4674 16.0746 16.0746 19.3713 19.3713 20.3842 20.3842 22.9171 22.9171 k = 0.0000 0.0000 0.5645 ( 814 PWs) bands (ev): -46.1784 -46.1784 -20.5533 -20.5533 -13.1845 -13.1845 -12.5230 -12.5230 11.5015 11.5015 14.4761 14.4761 16.0365 16.0365 19.3790 19.3790 20.3704 20.3704 22.8376 22.8376 k = 0.0000 0.0000 0.5550 ( 814 PWs) bands (ev): -46.1790 -46.1790 -20.5515 -20.5515 -13.1795 -13.1795 -12.5219 -12.5219 11.4922 11.4922 14.4867 14.4867 15.9921 15.9921 19.3870 19.3870 20.3540 20.3540 22.7437 22.7437 k = 0.0000 0.0000 0.5454 ( 814 PWs) bands (ev): -46.1796 -46.1796 -20.5494 -20.5494 -13.1737 -13.1737 -12.5207 -12.5207 11.4807 11.4807 14.4992 14.4992 15.9424 15.9424 19.3948 19.3948 20.3350 20.3350 22.6371 22.6371 k = 0.0000 0.0000 0.5358 ( 814 PWs) bands (ev): -46.1804 -46.1804 -20.5469 -20.5469 -13.1669 -13.1669 -12.5192 -12.5192 11.4667 11.4667 14.5135 14.5135 15.8886 15.8886 19.4016 19.4016 20.3138 20.3138 22.5194 22.5194 k = 0.0000 0.0000 0.5263 ( 814 PWs) bands (ev): -46.1812 -46.1812 -20.5442 -20.5442 -13.1593 -13.1593 -12.5176 -12.5176 11.4501 11.4501 14.5298 14.5298 15.8318 15.8318 19.4069 19.4069 20.2905 20.2905 22.3923 22.3923 k = 0.0000 0.0000 0.5167 ( 814 PWs) bands (ev): -46.1821 -46.1821 -20.5412 -20.5412 -13.1508 -13.1508 -12.5158 -12.5158 11.4304 11.4304 14.5479 14.5479 15.7732 15.7732 19.4103 19.4103 20.2653 20.2653 22.2570 22.2570 k = 0.0000 0.0000 0.5071 ( 810 PWs) bands (ev): -46.1831 -46.1831 -20.5377 -20.5377 -13.1414 -13.1414 -12.5139 -12.5139 11.4074 11.4074 14.5678 14.5678 15.7141 15.7141 19.4112 19.4112 20.2385 20.2385 22.1152 22.1152 k = 0.0000 0.0000 0.4976 ( 810 PWs) bands (ev): -46.1842 -46.1842 -20.5341 -20.5341 -13.1312 -13.1312 -12.5117 -12.5117 11.3807 11.3807 14.5895 14.5895 15.6555 15.6555 19.4094 19.4094 20.2104 20.2104 21.9679 21.9679 k = 0.0000 0.0000 0.4880 ( 810 PWs) bands (ev): -46.1854 -46.1854 -20.5302 -20.5302 -13.1203 -13.1203 -12.5094 -12.5094 11.3500 11.3500 14.6131 14.6131 15.5985 15.5985 19.4048 19.4048 20.1809 20.1809 21.8163 21.8163 k = 0.0000 0.0000 0.4784 ( 810 PWs) bands (ev): -46.1867 -46.1867 -20.5261 -20.5261 -13.1086 -13.1086 -12.5069 -12.5069 11.3151 11.3151 14.6384 14.6384 15.5441 15.5441 19.3972 19.3972 20.1504 20.1504 21.6615 21.6615 k = 0.0000 0.0000 0.4688 ( 810 PWs) bands (ev): -46.1880 -46.1880 -20.5217 -20.5217 -13.0962 -13.0962 -12.5042 -12.5042 11.2756 11.2756 14.6655 14.6655 15.4932 15.4932 19.3865 19.3865 20.1190 20.1190 21.5042 21.5042 k = 0.0000 0.0000 0.4593 ( 810 PWs) bands (ev): -46.1895 -46.1895 -20.5171 -20.5171 -13.0830 -13.0830 -12.5014 -12.5014 11.2313 11.2313 14.6942 14.6942 15.4466 15.4466 19.3730 19.3730 20.0868 20.0868 21.3455 21.3455 k = 0.0000 0.0000 0.4497 ( 810 PWs) bands (ev): -46.1910 -46.1910 -20.5122 -20.5122 -13.0691 -13.0691 -12.4985 -12.4985 11.1821 11.1821 14.7247 14.7247 15.4050 15.4050 19.3566 19.3566 20.0539 20.0539 21.1859 21.1859 k = 0.0000 0.0000 0.4401 ( 806 PWs) bands (ev): -46.1925 -46.1925 -20.5070 -20.5070 -13.0545 -13.0545 -12.4954 -12.4954 11.1278 11.1278 14.7568 14.7568 15.3691 15.3691 19.3376 19.3376 20.0202 20.0202 21.0263 21.0263 k = 0.0000 0.0000 0.4306 ( 806 PWs) bands (ev): -46.1941 -46.1941 -20.5017 -20.5017 -13.0392 -13.0392 -12.4922 -12.4922 11.0684 11.0684 14.7905 14.7905 15.3392 15.3392 19.3162 19.3162 19.9859 19.9859 20.8673 20.8673 k = 0.0000 0.0000 0.4210 ( 806 PWs) bands (ev): -46.1958 -46.1958 -20.4962 -20.4962 -13.0233 -13.0233 -12.4889 -12.4889 11.0039 11.0039 14.8257 14.8257 15.3157 15.3157 19.2927 19.2927 19.9505 19.9505 20.7099 20.7099 k = 0.0000 0.0000 0.4114 ( 806 PWs) bands (ev): -46.1975 -46.1975 -20.4905 -20.4905 -13.0069 -13.0069 -12.4854 -12.4854 10.9345 10.9345 14.8626 14.8626 15.2988 15.2988 19.2673 19.2673 19.9139 19.9139 20.5548 20.5548 k = 0.0000 0.0000 0.4019 ( 806 PWs) bands (ev): -46.1993 -46.1993 -20.4847 -20.4847 -12.9899 -12.9899 -12.4819 -12.4819 10.8602 10.8602 14.9008 14.9008 15.2887 15.2887 19.2403 19.2403 19.8748 19.8748 20.4037 20.4037 k = 0.0000 0.0000 0.3923 ( 806 PWs) bands (ev): -46.2011 -46.2011 -20.4787 -20.4787 -12.9723 -12.9723 -12.4782 -12.4782 10.7814 10.7814 14.9406 14.9406 15.2852 15.2852 19.2121 19.2121 19.8315 19.8315 20.2590 20.2590 k = 0.0000 0.0000 0.3827 ( 806 PWs) bands (ev): -46.2030 -46.2030 -20.4726 -20.4726 -12.9543 -12.9543 -12.4745 -12.4745 10.6984 10.6984 14.9817 14.9817 15.2884 15.2884 19.1827 19.1827 19.7798 19.7798 20.1251 20.1251 k = 0.0000 0.0000 0.3732 ( 808 PWs) bands (ev): -46.2049 -46.2049 -20.4664 -20.4664 -12.9358 -12.9358 -12.4707 -12.4707 10.6114 10.6114 15.0242 15.0242 15.2979 15.2979 19.1527 19.1527 19.7125 19.7125 20.0098 20.0098 k = 0.0000 0.0000 0.3636 ( 812 PWs) bands (ev): -46.2069 -46.2069 -20.4602 -20.4602 -12.9170 -12.9170 -12.4669 -12.4669 10.5210 10.5210 15.0679 15.0679 15.3136 15.3136 19.1220 19.1220 19.6222 19.6222 19.9207 19.9207 k = 0.0000 0.0000 0.3540 ( 812 PWs) bands (ev): -46.2089 -46.2089 -20.4537 -20.4537 -12.8977 -12.8977 -12.4629 -12.4629 10.4276 10.4276 15.1129 15.1129 15.3352 15.3352 19.0911 19.0911 19.5102 19.5102 19.8571 19.8571 k = 0.0000 0.0000 0.3445 ( 812 PWs) bands (ev): -46.2109 -46.2109 -20.4472 -20.4472 -12.8781 -12.8781 -12.4589 -12.4589 10.3315 10.3315 15.1590 15.1590 15.3622 15.3622 19.0597 19.0597 19.3856 19.3856 19.8105 19.8105 k = 0.0000 0.0000 0.3349 ( 812 PWs) bands (ev): -46.2129 -46.2129 -20.4406 -20.4406 -12.8582 -12.8582 -12.4548 -12.4548 10.2332 10.2332 15.2062 15.2062 15.3943 15.3943 19.0275 19.0275 19.2567 19.2567 19.7735 19.7735 k = 0.0000 0.0000 0.3253 ( 812 PWs) bands (ev): -46.2149 -46.2149 -20.4340 -20.4340 -12.8381 -12.8381 -12.4507 -12.4507 10.1333 10.1333 15.2543 15.2543 15.4311 15.4311 18.9914 18.9914 19.1309 19.1309 19.7424 19.7424 k = 0.0000 0.0000 0.3158 ( 814 PWs) bands (ev): -46.2170 -46.2170 -20.4274 -20.4274 -12.8177 -12.8177 -12.4466 -12.4466 10.0320 10.0320 15.3033 15.3033 15.4720 15.4720 18.9347 18.9347 19.0273 19.0273 19.7153 19.7153 k = 0.0000 0.0000 0.3062 ( 816 PWs) bands (ev): -46.2190 -46.2190 -20.4208 -20.4208 -12.7973 -12.7973 -12.4425 -12.4425 9.9298 9.9298 15.3531 15.3531 15.5168 15.5168 18.8313 18.8313 18.9736 18.9736 19.6911 19.6911 k = 0.0000 0.0000 0.2966 ( 810 PWs) bands (ev): -46.2210 -46.2210 -20.4139 -20.4139 -12.7765 -12.7765 -12.4382 -12.4382 9.8273 9.8273 15.4035 15.4035 15.5648 15.5648 18.7094 18.7094 18.9424 18.9424 19.6692 19.6692 k = 0.0000 0.0000 0.2870 ( 810 PWs) bands (ev): -46.2231 -46.2231 -20.4073 -20.4073 -12.7558 -12.7558 -12.4341 -12.4341 9.7246 9.7246 15.4545 15.4545 15.6155 15.6155 18.5858 18.5858 18.9180 18.9180 19.6495 19.6495 k = 0.0000 0.0000 0.2775 ( 810 PWs) bands (ev): -46.2251 -46.2251 -20.4007 -20.4007 -12.7352 -12.7352 -12.4299 -12.4299 9.6222 9.6222 15.5058 15.5058 15.6686 15.6686 18.4637 18.4637 18.8974 18.8974 19.6316 19.6316 k = 0.0000 0.0000 0.2679 ( 818 PWs) bands (ev): -46.2271 -46.2271 -20.3944 -20.3944 -12.7148 -12.7148 -12.4259 -12.4259 9.5205 9.5205 15.5574 15.5574 15.7234 15.7234 18.3443 18.3443 18.8803 18.8803 19.6154 19.6154 k = 0.0000 0.0000 0.2583 ( 818 PWs) bands (ev): -46.2291 -46.2291 -20.3879 -20.3879 -12.6942 -12.6942 -12.4217 -12.4217 9.4198 9.4198 15.6091 15.6091 15.7794 15.7794 18.2281 18.2281 18.8667 18.8667 19.6009 19.6009 k = 0.0000 0.0000 0.2488 ( 818 PWs) bands (ev): -46.2311 -46.2311 -20.3815 -20.3815 -12.6739 -12.6739 -12.4177 -12.4177 9.3204 9.3204 15.6609 15.6609 15.8362 15.8362 18.1152 18.1152 18.8566 18.8566 19.5879 19.5879 k = 0.0000 0.0000 0.2392 ( 818 PWs) bands (ev): -46.2330 -46.2330 -20.3752 -20.3752 -12.6537 -12.6537 -12.4136 -12.4136 9.2226 9.2226 15.7124 15.7124 15.8931 15.8931 18.0060 18.0060 18.8505 18.8505 19.5764 19.5764 k = 0.0000 0.0000 0.2296 ( 824 PWs) bands (ev): -46.2350 -46.2350 -20.3692 -20.3692 -12.6340 -12.6340 -12.4097 -12.4097 9.1267 9.1267 15.7638 15.7638 15.9496 15.9496 17.9006 17.9006 18.8484 18.8484 19.5663 19.5663 k = 0.0000 0.0000 0.2201 ( 820 PWs) bands (ev): -46.2368 -46.2368 -20.3630 -20.3630 -12.6142 -12.6142 -12.4058 -12.4058 9.0330 9.0330 15.8146 15.8146 16.0052 16.0052 17.7991 17.7991 18.8507 18.8507 19.5574 19.5574 k = 0.0000 0.0000 0.2105 ( 824 PWs) bands (ev): -46.2387 -46.2387 -20.3572 -20.3572 -12.5951 -12.5951 -12.4020 -12.4020 8.9416 8.9416 15.8649 15.8649 16.0594 16.0594 17.7016 17.7016 18.8574 18.8574 19.5498 19.5498 k = 0.0000 0.0000 0.2009 ( 824 PWs) bands (ev): -46.2404 -46.2404 -20.3515 -20.3515 -12.5763 -12.5763 -12.3983 -12.3983 8.8528 8.8528 15.9143 15.9143 16.1118 16.1118 17.6083 17.6083 18.8688 18.8688 19.5434 19.5434 k = 0.0000 0.0000 0.1914 ( 825 PWs) bands (ev): -46.2421 -46.2421 -20.3459 -20.3459 -12.5580 -12.5580 -12.3946 -12.3946 8.7668 8.7668 15.9628 15.9628 16.1619 16.1619 17.5193 17.5193 18.8849 18.8849 19.5380 19.5380 k = 0.0000 0.0000 0.1818 ( 825 PWs) bands (ev): -46.2438 -46.2438 -20.3405 -20.3405 -12.5401 -12.5401 -12.3911 -12.3911 8.6839 8.6839 16.0101 16.0101 16.2094 16.2094 17.4346 17.4346 18.9057 18.9057 19.5337 19.5337 k = 0.0000 0.0000 0.1722 ( 813 PWs) bands (ev): -46.2454 -46.2454 -20.3349 -20.3349 -12.5225 -12.5225 -12.3874 -12.3874 8.6042 8.6042 16.0560 16.0560 16.2539 16.2539 17.3545 17.3545 18.9311 18.9311 19.5302 19.5302 k = 0.0000 0.0000 0.1627 ( 813 PWs) bands (ev): -46.2469 -46.2469 -20.3299 -20.3299 -12.5058 -12.5058 -12.3842 -12.3842 8.5279 8.5279 16.1004 16.1004 16.2952 16.2952 17.2791 17.2791 18.9608 18.9608 19.5276 19.5276 k = 0.0000 0.0000 0.1531 ( 813 PWs) bands (ev): -46.2484 -46.2484 -20.3252 -20.3252 -12.4898 -12.4898 -12.3810 -12.3810 8.4551 8.4551 16.1429 16.1429 16.3330 16.3330 17.2085 17.2085 18.9946 18.9946 19.5258 19.5258 k = 0.0000 0.0000 0.1435 ( 813 PWs) bands (ev): -46.2498 -46.2498 -20.3206 -20.3206 -12.4745 -12.4745 -12.3780 -12.3780 8.3860 8.3860 16.1834 16.1834 16.3672 16.3672 17.1429 17.1429 19.0320 19.0320 19.5246 19.5246 k = 0.0000 0.0000 0.1340 ( 813 PWs) bands (ev): -46.2511 -46.2511 -20.3163 -20.3163 -12.4599 -12.4599 -12.3752 -12.3752 8.3207 8.3207 16.2216 16.2216 16.3977 16.3977 17.0826 17.0826 19.0725 19.0725 19.5240 19.5240 k = 0.0000 0.0000 0.1244 ( 813 PWs) bands (ev): -46.2524 -46.2524 -20.3123 -20.3123 -12.4461 -12.4461 -12.3725 -12.3725 8.2594 8.2594 16.2573 16.2573 16.4242 16.4242 17.0278 17.0278 19.1155 19.1155 19.5239 19.5239 k = 0.0000 0.0000 0.1148 ( 817 PWs) bands (ev): -46.2536 -46.2536 -20.3086 -20.3086 -12.4333 -12.4333 -12.3701 -12.3701 8.2021 8.2021 16.2904 16.2904 16.4467 16.4467 16.9788 16.9788 19.1603 19.1603 19.5242 19.5242 k = 0.0000 0.0000 0.1053 ( 817 PWs) bands (ev): -46.2546 -46.2546 -20.3051 -20.3051 -12.4213 -12.4213 -12.3678 -12.3678 8.1491 8.1491 16.3207 16.3207 16.4649 16.4649 16.9360 16.9360 19.2061 19.2061 19.5249 19.5249 k = 0.0000 0.0000 0.0957 ( 813 PWs) bands (ev): -46.2556 -46.2556 -20.3017 -20.3017 -12.4101 -12.4101 -12.3655 -12.3655 8.1003 8.1003 16.3481 16.3481 16.4787 16.4787 16.8998 16.8998 19.2520 19.2520 19.5258 19.5258 k = 0.0000 0.0000 0.0861 ( 813 PWs) bands (ev): -46.2565 -46.2565 -20.2987 -20.2987 -12.3999 -12.3999 -12.3635 -12.3635 8.0559 8.0559 16.3724 16.3724 16.4879 16.4879 16.8703 16.8703 19.2972 19.2972 19.5269 19.5269 k = 0.0000 0.0000 0.0765 ( 807 PWs) bands (ev): -46.2574 -46.2574 -20.2959 -20.2959 -12.3905 -12.3905 -12.3616 -12.3616 8.0160 8.0160 16.3938 16.3938 16.4927 16.4927 16.8476 16.8476 19.3407 19.3407 19.5281 19.5281 k = 0.0000 0.0000 0.0670 ( 805 PWs) bands (ev): -46.2581 -46.2581 -20.2935 -20.2935 -12.3823 -12.3823 -12.3600 -12.3600 7.9805 7.9805 16.4122 16.4122 16.4935 16.4935 16.8311 16.8311 19.3817 19.3817 19.5293 19.5293 k = 0.0000 0.0000 0.0574 ( 801 PWs) bands (ev): -46.2587 -46.2587 -20.2913 -20.2913 -12.3750 -12.3750 -12.3585 -12.3585 7.9497 7.9497 16.4278 16.4278 16.4912 16.4912 16.8201 16.8201 19.4193 19.4193 19.5305 19.5305 k = 0.0000 0.0000 0.0478 ( 791 PWs) bands (ev): -46.2592 -46.2592 -20.2892 -20.2892 -12.3686 -12.3686 -12.3573 -12.3573 7.9236 7.9236 16.4406 16.4406 16.4869 16.4869 16.8135 16.8135 19.4528 19.4528 19.5316 19.5316 k = 0.0000 0.0000 0.0383 ( 791 PWs) bands (ev): -46.2597 -46.2597 -20.2878 -20.2878 -12.3636 -12.3636 -12.3563 -12.3563 7.9021 7.9021 16.4509 16.4509 16.4816 16.4816 16.8099 16.8099 19.4812 19.4812 19.5325 19.5325 k = 0.0000 0.0000 0.0287 ( 791 PWs) bands (ev): -46.2600 -46.2600 -20.2866 -20.2866 -12.3596 -12.3596 -12.3556 -12.3556 7.8853 7.8853 16.4586 16.4586 16.4764 16.4764 16.8083 16.8083 19.5041 19.5041 19.5333 19.5333 k = 0.0000 0.0000 0.0191 ( 791 PWs) bands (ev): -46.2603 -46.2603 -20.2858 -20.2858 -12.3568 -12.3568 -12.3550 -12.3550 7.8734 7.8734 16.4641 16.4641 16.4721 16.4721 16.8078 16.8078 19.5208 19.5208 19.5339 19.5339 k = 0.0000 0.0000 0.0096 ( 791 PWs) bands (ev): -46.2604 -46.2604 -20.2854 -20.2854 -12.3552 -12.3552 -12.3547 -12.3547 7.8662 7.8662 16.4673 16.4673 16.4694 16.4694 16.8078 16.8078 19.5310 19.5310 19.5343 19.5343 k = 0.0000 0.0000 0.0000 ( 791 PWs) bands (ev): -46.2605 -46.2605 -20.2852 -20.2852 -12.3546 -12.3546 -12.3546 -12.3546 7.8638 7.8638 16.4684 16.4684 16.4684 16.4684 16.8078 16.8078 19.5344 19.5344 19.5344 19.5344 k = 0.0000 0.0000 0.0000 ( 791 PWs) bands (ev): -46.2605 -46.2605 -20.2852 -20.2852 -12.3546 -12.3546 -12.3546 -12.3546 7.8638 7.8638 16.4684 16.4684 16.4684 16.4684 16.8078 16.8078 19.5344 19.5344 19.5344 19.5344 k = 0.0032 0.0045 0.0079 ( 791 PWs) bands (ev): -46.2604 -46.2604 -20.2854 -20.2854 -12.3552 -12.3552 -12.3547 -12.3547 7.8662 7.8662 16.4672 16.4672 16.4695 16.4695 16.8078 16.8078 19.5323 19.5323 19.5329 19.5329 k = 0.0064 0.0091 0.0157 ( 791 PWs) bands (ev): -46.2602 -46.2602 -20.2859 -20.2859 -12.3570 -12.3570 -12.3549 -12.3549 7.8735 7.8735 16.4636 16.4636 16.4725 16.4725 16.8079 16.8079 19.5260 19.5260 19.5286 19.5286 k = 0.0096 0.0136 0.0236 ( 791 PWs) bands (ev): -46.2600 -46.2600 -20.2867 -20.2867 -12.3599 -12.3599 -12.3553 -12.3553 7.8856 7.8856 16.4577 16.4577 16.4771 16.4771 16.8086 16.8086 19.5157 19.5157 19.5215 19.5215 k = 0.0128 0.0181 0.0314 ( 791 PWs) bands (ev): -46.2596 -46.2596 -20.2878 -20.2878 -12.3641 -12.3641 -12.3559 -12.3559 7.9025 7.9025 16.4492 16.4492 16.4822 16.4822 16.8107 16.8107 19.5016 19.5016 19.5118 19.5118 k = 0.0160 0.0227 0.0393 ( 791 PWs) bands (ev): -46.2592 -46.2592 -20.2892 -20.2892 -12.3694 -12.3694 -12.3566 -12.3566 7.9241 7.9241 16.4383 16.4383 16.4867 16.4867 16.8156 16.8156 19.4842 19.4842 19.5000 19.5000 k = 0.0192 0.0272 0.0471 ( 797 PWs) bands (ev): -46.2587 -46.2587 -20.2912 -20.2912 -12.3761 -12.3761 -12.3575 -12.3575 7.9505 7.9505 16.4248 16.4248 16.4889 16.4889 16.8247 16.8247 19.4637 19.4637 19.4863 19.4863 k = 0.0224 0.0317 0.0550 ( 803 PWs) bands (ev): -46.2580 -46.2580 -20.2935 -20.2935 -12.3838 -12.3838 -12.3587 -12.3587 7.9816 7.9816 16.4087 16.4087 16.4872 16.4872 16.8397 16.8397 19.4408 19.4408 19.4712 19.4712 k = 0.0256 0.0363 0.0628 ( 812 PWs) bands (ev): -46.2573 -46.2573 -20.2961 -20.2961 -12.3926 -12.3926 -12.3601 -12.3601 8.0174 8.0174 16.3900 16.3900 16.4802 16.4802 16.8620 16.8620 19.4158 19.4158 19.4550 19.4550 k = 0.0288 0.0408 0.0707 ( 812 PWs) bands (ev): -46.2565 -46.2565 -20.2988 -20.2988 -12.4023 -12.4023 -12.3615 -12.3615 8.0576 8.0576 16.3685 16.3685 16.4670 16.4670 16.8922 16.8922 19.3895 19.3895 19.4384 19.4384 k = 0.0321 0.0453 0.0785 ( 806 PWs) bands (ev): -46.2556 -46.2556 -20.3016 -20.3016 -12.4127 -12.4127 -12.3630 -12.3630 8.1024 8.1024 16.3442 16.3442 16.4476 16.4476 16.9307 16.9307 19.3623 19.3623 19.4218 19.4218 k = 0.0353 0.0499 0.0864 ( 818 PWs) bands (ev): -46.2546 -46.2546 -20.3053 -20.3053 -12.4245 -12.4245 -12.3651 -12.3651 8.1516 8.1516 16.3170 16.3170 16.4221 16.4221 16.9771 16.9771 19.3349 19.3349 19.4055 19.4055 k = 0.0385 0.0544 0.0942 ( 818 PWs) bands (ev): -46.2535 -46.2535 -20.3088 -20.3088 -12.4371 -12.4371 -12.3671 -12.3671 8.2051 8.2051 16.2870 16.2870 16.3911 16.3911 17.0310 17.0310 19.3077 19.3077 19.3901 19.3901 k = 0.0417 0.0589 0.1021 ( 818 PWs) bands (ev): -46.2523 -46.2523 -20.3126 -20.3126 -12.4504 -12.4504 -12.3692 -12.3692 8.2629 8.2629 16.2541 16.2541 16.3550 16.3550 17.0920 17.0920 19.2813 19.2813 19.3760 19.3760 k = 0.0449 0.0635 0.1099 ( 818 PWs) bands (ev): -46.2511 -46.2511 -20.3167 -20.3167 -12.4646 -12.4646 -12.3715 -12.3715 8.3248 8.3248 16.2184 16.2184 16.3143 16.3143 17.1597 17.1597 19.2562 19.2562 19.3635 19.3635 k = 0.0481 0.0680 0.1178 ( 818 PWs) bands (ev): -46.2498 -46.2498 -20.3210 -20.3210 -12.4796 -12.4796 -12.3740 -12.3740 8.3907 8.3907 16.1798 16.1798 16.2695 16.2695 17.2337 17.2337 19.2327 19.2327 19.3529 19.3529 k = 0.0513 0.0725 0.1256 ( 818 PWs) bands (ev): -46.2484 -46.2484 -20.3256 -20.3256 -12.4953 -12.4953 -12.3767 -12.3767 8.4606 8.4606 16.1384 16.1384 16.2209 16.2209 17.3139 17.3139 19.2113 19.2113 19.3445 19.3445 k = 0.0545 0.0771 0.1335 ( 824 PWs) bands (ev): -46.2469 -46.2469 -20.3306 -20.3306 -12.5116 -12.5116 -12.3798 -12.3798 8.5342 8.5342 16.0944 16.0944 16.1690 16.1690 17.3999 17.3999 19.1923 19.1923 19.3385 19.3385 k = 0.0577 0.0816 0.1413 ( 824 PWs) bands (ev): -46.2454 -46.2454 -20.3356 -20.3356 -12.5285 -12.5285 -12.3829 -12.3829 8.6116 8.6116 16.0479 16.0479 16.1139 16.1139 17.4916 17.4916 19.1759 19.1759 19.3351 19.3351 k = 0.0609 0.0861 0.1492 ( 830 PWs) bands (ev): -46.2438 -46.2438 -20.3410 -20.3410 -12.5462 -12.5462 -12.3862 -12.3862 8.6925 8.6925 15.9990 15.9990 16.0562 16.0562 17.5890 17.5890 19.1623 19.1623 19.3343 19.3343 k = 0.0641 0.0907 0.1570 ( 830 PWs) bands (ev): -46.2421 -46.2421 -20.3464 -20.3464 -12.5641 -12.5641 -12.3897 -12.3897 8.7769 8.7769 15.9480 15.9480 15.9961 15.9961 17.6917 17.6917 19.1516 19.1516 19.3363 19.3363 k = 0.0673 0.0952 0.1649 ( 824 PWs) bands (ev): -46.2404 -46.2404 -20.3518 -20.3518 -12.5821 -12.5821 -12.3934 -12.3934 8.8647 8.8647 15.8949 15.8949 15.9339 15.9339 17.7998 17.7998 19.1440 19.1440 19.3410 19.3410 k = 0.0705 0.0997 0.1727 ( 824 PWs) bands (ev): -46.2387 -46.2387 -20.3576 -20.3576 -12.6007 -12.6007 -12.3973 -12.3973 8.9556 8.9556 15.8402 15.8402 15.8701 15.8701 17.9130 17.9130 19.1395 19.1395 19.3486 19.3486 k = 0.0737 0.1043 0.1806 ( 824 PWs) bands (ev): -46.2369 -46.2369 -20.3635 -20.3635 -12.6196 -12.6196 -12.4015 -12.4015 9.0497 9.0497 15.7839 15.7839 15.8047 15.8047 18.0312 18.0312 19.1381 19.1381 19.3591 19.3591 k = 0.0769 0.1088 0.1884 ( 824 PWs) bands (ev): -46.2350 -46.2350 -20.3695 -20.3695 -12.6387 -12.6387 -12.4059 -12.4059 9.1467 9.1467 15.7264 15.7264 15.7383 15.7383 18.1543 18.1543 19.1397 19.1397 19.3723 19.3723 k = 0.0801 0.1133 0.1963 ( 821 PWs) bands (ev): -46.2331 -46.2331 -20.3756 -20.3756 -12.6579 -12.6579 -12.4104 -12.4104 9.2465 9.2465 15.6680 15.6680 15.6710 15.6710 18.2821 18.2821 19.1444 19.1444 19.3884 19.3884 k = 0.0833 0.1179 0.2041 ( 821 PWs) bands (ev): -46.2312 -46.2312 -20.3818 -20.3818 -12.6773 -12.6773 -12.4153 -12.4153 9.3491 9.3491 15.6032 15.6032 15.6088 15.6088 18.4144 18.4144 19.1520 19.1520 19.4074 19.4074 k = 0.0865 0.1224 0.2120 ( 821 PWs) bands (ev): -46.2293 -46.2293 -20.3881 -20.3881 -12.6967 -12.6967 -12.4204 -12.4204 9.4542 9.4542 15.5351 15.5351 15.5492 15.5492 18.5507 18.5507 19.1623 19.1623 19.4294 19.4294 k = 0.0897 0.1269 0.2198 ( 821 PWs) bands (ev): -46.2273 -46.2273 -20.3946 -20.3946 -12.7160 -12.7160 -12.4257 -12.4257 9.5618 9.5618 15.4669 15.4669 15.4893 15.4893 18.6907 18.6907 19.1754 19.1754 19.4547 19.4547 k = 0.0929 0.1314 0.2277 ( 827 PWs) bands (ev): -46.2254 -46.2254 -20.4012 -20.4012 -12.7355 -12.7355 -12.4314 -12.4314 9.6717 9.6717 15.3990 15.3990 15.4295 15.4295 18.8335 18.8335 19.1910 19.1910 19.4837 19.4837 k = 0.0962 0.1360 0.2355 ( 827 PWs) bands (ev): -46.2234 -46.2234 -20.4077 -20.4077 -12.7546 -12.7546 -12.4372 -12.4372 9.7839 9.7839 15.3314 15.3314 15.3699 15.3699 18.9780 18.9780 19.2091 19.2091 19.5175 19.5175 k = 0.0994 0.1405 0.2434 ( 821 PWs) bands (ev): -46.2214 -46.2214 -20.4141 -20.4141 -12.7734 -12.7734 -12.4431 -12.4431 9.8981 9.8981 15.2646 15.2646 15.3109 15.3109 19.1214 19.1214 19.2295 19.2295 19.5584 19.5584 k = 0.1026 0.1450 0.2512 ( 821 PWs) bands (ev): -46.2194 -46.2194 -20.4206 -20.4206 -12.7922 -12.7922 -12.4494 -12.4494 10.0143 10.0143 15.1985 15.1985 15.2525 15.2525 19.2520 19.2520 19.2588 19.2588 19.6112 19.6112 k = 0.1058 0.1496 0.2591 ( 820 PWs) bands (ev): -46.2174 -46.2174 -20.4272 -20.4272 -12.8105 -12.8105 -12.4560 -12.4560 10.1323 10.1323 15.1335 15.1335 15.1950 15.1950 19.2764 19.2764 19.3804 19.3804 19.6853 19.6853 k = 0.1090 0.1541 0.2669 ( 820 PWs) bands (ev): -46.2154 -46.2154 -20.4337 -20.4337 -12.8286 -12.8286 -12.4627 -12.4627 10.2520 10.2520 15.0696 15.0696 15.1386 15.1386 19.3028 19.3028 19.4758 19.4758 19.7908 19.7908 k = 0.1122 0.1586 0.2748 ( 820 PWs) bands (ev): -46.2134 -46.2134 -20.4402 -20.4402 -12.8463 -12.8463 -12.4698 -12.4698 10.3733 10.3733 15.0071 15.0071 15.0834 15.0834 19.3308 19.3308 19.5457 19.5457 19.9266 19.9266 k = 0.1154 0.1632 0.2826 ( 820 PWs) bands (ev): -46.2115 -46.2115 -20.4466 -20.4466 -12.8636 -12.8636 -12.4771 -12.4771 10.4961 10.4961 14.9461 14.9461 15.0296 15.0296 19.3604 19.3604 19.6002 19.6002 20.0823 20.0823 k = 0.1186 0.1677 0.2905 ( 820 PWs) bands (ev): -46.2095 -46.2095 -20.4530 -20.4530 -12.8804 -12.8804 -12.4846 -12.4846 10.6202 10.6202 14.8866 14.8866 14.9774 14.9774 19.3914 19.3914 19.6472 19.6472 20.2498 20.2498 k = 0.1218 0.1722 0.2983 ( 820 PWs) bands (ev): -46.2076 -46.2076 -20.4593 -20.4593 -12.8966 -12.8966 -12.4925 -12.4925 10.7456 10.7456 14.8289 14.8289 14.9268 14.9268 19.4237 19.4237 19.6904 19.6904 20.4248 20.4248 k = 0.1250 0.1768 0.3062 ( 832 PWs) bands (ev): -46.2057 -46.2057 -20.4658 -20.4658 -12.9126 -12.9126 -12.5008 -12.5008 10.8720 10.8720 14.7730 14.7730 14.8780 14.8780 19.4571 19.4571 19.7318 19.7318 20.6050 20.6050 k = 0.1282 0.1813 0.3140 ( 814 PWs) bands (ev): -46.2038 -46.2038 -20.4714 -20.4714 -12.9274 -12.9274 -12.5086 -12.5086 10.9995 10.9995 14.7190 14.7190 14.8311 14.8311 19.4915 19.4915 19.7723 19.7723 20.7892 20.7892 k = 0.1314 0.1858 0.3219 ( 814 PWs) bands (ev): -46.2020 -46.2020 -20.4773 -20.4773 -12.9419 -12.9419 -12.5172 -12.5172 11.1277 11.1277 14.6671 14.6671 14.7862 14.7862 19.5268 19.5268 19.8122 19.8122 20.9764 20.9764 k = 0.1346 0.1904 0.3297 ( 814 PWs) bands (ev): -46.2002 -46.2002 -20.4832 -20.4832 -12.9557 -12.9557 -12.5260 -12.5260 11.2566 11.2566 14.6172 14.6172 14.7433 14.7433 19.5629 19.5629 19.8517 19.8517 21.1661 21.1661 k = 0.1378 0.1949 0.3376 ( 814 PWs) bands (ev): -46.1984 -46.1984 -20.4889 -20.4889 -12.9688 -12.9688 -12.5350 -12.5350 11.3861 11.3861 14.5695 14.5695 14.7025 14.7025 19.5995 19.5995 19.8909 19.8909 21.3577 21.3577 k = 0.1410 0.1994 0.3454 ( 814 PWs) bands (ev): -46.1967 -46.1967 -20.4944 -20.4944 -12.9813 -12.9813 -12.5443 -12.5443 11.5160 11.5160 14.5240 14.5240 14.6639 14.6639 19.6366 19.6366 19.9298 19.9298 21.5507 21.5507 k = 0.1442 0.2040 0.3533 ( 814 PWs) bands (ev): -46.1951 -46.1951 -20.4998 -20.4998 -12.9930 -12.9930 -12.5538 -12.5538 11.6461 11.6461 14.4808 14.4808 14.6276 14.6276 19.6741 19.6741 19.9683 19.9683 21.7446 21.7446 k = 0.1474 0.2085 0.3611 ( 814 PWs) bands (ev): -46.1935 -46.1935 -20.5050 -20.5050 -13.0039 -13.0039 -12.5635 -12.5635 11.7762 11.7762 14.4399 14.4399 14.5935 14.5935 19.7119 19.7119 20.0064 20.0064 21.9389 21.9389 k = 0.1506 0.2130 0.3690 ( 814 PWs) bands (ev): -46.1919 -46.1919 -20.5101 -20.5101 -13.0141 -13.0141 -12.5735 -12.5735 11.9062 11.9062 14.4014 14.4014 14.5616 14.5616 19.7498 19.7498 20.0440 20.0440 22.1330 22.1330 k = 0.1538 0.2176 0.3768 ( 814 PWs) bands (ev): -46.1904 -46.1904 -20.5149 -20.5149 -13.0234 -13.0234 -12.5837 -12.5837 12.0359 12.0359 14.3654 14.3654 14.5321 14.5321 19.7877 19.7877 20.0809 20.0809 22.3262 22.3262 k = 0.1571 0.2221 0.3847 ( 814 PWs) bands (ev): -46.1890 -46.1890 -20.5196 -20.5196 -13.0320 -13.0320 -12.5941 -12.5941 12.1651 12.1651 14.3318 14.3318 14.5050 14.5050 19.8255 19.8255 20.1172 20.1172 22.5179 22.5179 k = 0.1603 0.2266 0.3925 ( 814 PWs) bands (ev): -46.1876 -46.1876 -20.5240 -20.5240 -13.0397 -13.0397 -12.6046 -12.6046 12.2934 12.2934 14.3009 14.3009 14.4801 14.4801 19.8632 19.8632 20.1528 20.1528 22.7071 22.7071 k = 0.1635 0.2312 0.4004 ( 814 PWs) bands (ev): -46.1862 -46.1862 -20.5283 -20.5283 -13.0465 -13.0465 -12.6154 -12.6154 12.4207 12.4207 14.2725 14.2725 14.4576 14.4576 19.9006 19.9006 20.1874 20.1874 22.8926 22.8926 k = 0.1667 0.2357 0.4082 ( 814 PWs) bands (ev): -46.1850 -46.1850 -20.5323 -20.5323 -13.0526 -13.0526 -12.6264 -12.6264 12.5466 12.5466 14.2469 14.2469 14.4375 14.4375 19.9376 19.9376 20.2211 20.2211 23.0727 23.0727 k = 0.1699 0.2402 0.4161 ( 814 PWs) bands (ev): -46.1838 -46.1838 -20.5362 -20.5362 -13.0578 -13.0578 -12.6375 -12.6375 12.6707 12.6707 14.2240 14.2240 14.4196 14.4196 19.9742 19.9742 20.2537 20.2537 23.2443 23.2443 k = 0.1731 0.2448 0.4240 ( 808 PWs) bands (ev): -46.1826 -46.1826 -20.5396 -20.5396 -13.0619 -13.0619 -12.6488 -12.6488 12.7928 12.7928 14.2042 14.2042 14.4040 14.4040 20.0103 20.0103 20.2851 20.2851 23.4018 23.4018 k = 0.1763 0.2493 0.4318 ( 802 PWs) bands (ev): -46.1815 -46.1815 -20.5428 -20.5428 -13.0652 -13.0652 -12.6601 -12.6601 12.9121 12.9121 14.1874 14.1874 14.3907 14.3907 20.0457 20.0457 20.3154 20.3154 23.5331 23.5331 k = 0.1795 0.2538 0.4397 ( 802 PWs) bands (ev): -46.1805 -46.1805 -20.5460 -20.5460 -13.0678 -13.0678 -12.6717 -12.6717 13.0283 13.0283 14.1740 14.1740 14.3795 14.3795 20.0804 20.0804 20.3443 20.3443 23.6116 23.6116 k = 0.1827 0.2584 0.4475 ( 802 PWs) bands (ev): -46.1795 -46.1795 -20.5490 -20.5490 -13.0696 -13.0696 -12.6834 -12.6834 13.1405 13.1405 14.1642 14.1642 14.3706 14.3706 20.1144 20.1144 20.3719 20.3719 23.5962 23.5962 k = 0.1859 0.2629 0.4554 ( 802 PWs) bands (ev): -46.1786 -46.1786 -20.5518 -20.5518 -13.0705 -13.0705 -12.6953 -12.6953 13.2480 13.2480 14.1585 14.1585 14.3638 14.3638 20.1476 20.1476 20.3980 20.3980 23.4797 23.4797 k = 0.1891 0.2674 0.4632 ( 802 PWs) bands (ev): -46.1778 -46.1778 -20.5544 -20.5544 -13.0706 -13.0706 -12.7073 -12.7073 13.3497 13.3497 14.1575 14.1575 14.3590 14.3590 20.1799 20.1799 20.4227 20.4227 23.3045 23.3045 k = 0.1923 0.2720 0.4711 ( 802 PWs) bands (ev): -46.1770 -46.1770 -20.5568 -20.5568 -13.0698 -13.0698 -12.7194 -12.7194 13.4444 13.4444 14.1619 14.1619 14.3563 14.3563 20.2113 20.2113 20.4458 20.4458 23.1063 23.1063 k = 0.1955 0.2765 0.4789 ( 814 PWs) bands (ev): -46.1764 -46.1764 -20.5593 -20.5593 -13.0686 -13.0686 -12.7317 -12.7317 13.5306 13.5306 14.1727 14.1727 14.3555 14.3555 20.2417 20.2417 20.4673 20.4673 22.9019 22.9019 k = 0.1987 0.2810 0.4868 ( 814 PWs) bands (ev): -46.1757 -46.1757 -20.5613 -20.5613 -13.0662 -13.0662 -12.7440 -12.7440 13.6070 13.6070 14.1906 14.1906 14.3566 14.3566 20.2712 20.2712 20.4873 20.4873 22.6991 22.6991 k = 0.2019 0.2856 0.4946 ( 814 PWs) bands (ev): -46.1752 -46.1752 -20.5631 -20.5631 -13.0631 -13.0631 -12.7563 -12.7563 13.6723 13.6723 14.2164 14.2164 14.3595 14.3595 20.2996 20.2996 20.5056 20.5056 22.5018 22.5018 k = 0.2051 0.2901 0.5025 ( 814 PWs) bands (ev): -46.1746 -46.1746 -20.5648 -20.5648 -13.0591 -13.0591 -12.7687 -12.7687 13.7262 13.7262 14.2498 14.2498 14.3641 14.3641 20.3269 20.3269 20.5223 20.5223 22.3124 22.3124 k = 0.2083 0.2946 0.5103 ( 820 PWs) bands (ev): -46.1742 -46.1742 -20.5664 -20.5664 -13.0545 -13.0545 -12.7813 -12.7813 13.7692 13.7692 14.2896 14.2896 14.3704 14.3704 20.3532 20.3532 20.5374 20.5374 22.1323 22.1323 k = 0.2115 0.2992 0.5182 ( 814 PWs) bands (ev): -46.1737 -46.1737 -20.5675 -20.5675 -13.0489 -13.0489 -12.7936 -12.7936 13.8029 13.8029 14.3336 14.3336 14.3782 14.3782 20.3783 20.3783 20.5508 20.5508 21.9627 21.9627 k = 0.2147 0.3037 0.5260 ( 814 PWs) bands (ev): -46.1734 -46.1734 -20.5686 -20.5686 -13.0428 -13.0428 -12.8061 -12.8061 13.8292 13.8292 14.3791 14.3791 14.3875 14.3875 20.4023 20.4023 20.5625 20.5625 21.8047 21.8047 k = 0.2179 0.3082 0.5339 ( 811 PWs) bands (ev): -46.1730 -46.1730 -20.5695 -20.5695 -13.0359 -13.0359 -12.8185 -12.8185 13.8500 13.8500 14.3982 14.3982 14.4237 14.4237 20.4251 20.4251 20.5726 20.5726 21.6591 21.6591 k = 0.2212 0.3128 0.5417 ( 811 PWs) bands (ev): -46.1727 -46.1727 -20.5704 -20.5704 -13.0285 -13.0285 -12.8309 -12.8309 13.8669 13.8669 14.4100 14.4100 14.4653 14.4653 20.4467 20.4467 20.5811 20.5811 21.5265 21.5265 k = 0.2244 0.3173 0.5496 ( 811 PWs) bands (ev): -46.1725 -46.1725 -20.5711 -20.5711 -13.0205 -13.0205 -12.8433 -12.8433 13.8809 13.8809 14.4231 14.4231 14.5021 14.5021 20.4672 20.4672 20.5880 20.5880 21.4075 21.4075 k = 0.2276 0.3218 0.5574 ( 811 PWs) bands (ev): -46.1723 -46.1723 -20.5717 -20.5717 -13.0119 -13.0119 -12.8556 -12.8556 13.8929 13.8929 14.4372 14.4372 14.5331 14.5331 20.4863 20.4863 20.5933 20.5933 21.3025 21.3025 k = 0.2308 0.3264 0.5653 ( 811 PWs) bands (ev): -46.1722 -46.1722 -20.5721 -20.5721 -13.0028 -13.0028 -12.8679 -12.8679 13.9032 13.9032 14.4522 14.4522 14.5573 14.5573 20.5043 20.5043 20.5970 20.5970 21.2118 21.2118 k = 0.2340 0.3309 0.5731 ( 811 PWs) bands (ev): -46.1720 -46.1720 -20.5725 -20.5725 -12.9932 -12.9932 -12.8801 -12.8801 13.9122 13.9122 14.4681 14.4681 14.5743 14.5743 20.5209 20.5209 20.5991 20.5991 21.1356 21.1356 k = 0.2372 0.3354 0.5810 ( 817 PWs) bands (ev): -46.1720 -46.1720 -20.5730 -20.5730 -12.9833 -12.9833 -12.8923 -12.8923 13.9200 13.9200 14.4846 14.4846 14.5839 14.5839 20.5361 20.5361 20.5996 20.5996 21.0738 21.0738 k = 0.2404 0.3400 0.5888 ( 817 PWs) bands (ev): -46.1719 -46.1719 -20.5732 -20.5732 -12.9728 -12.9728 -12.9043 -12.9043 13.9265 13.9265 14.5017 14.5017 14.5862 14.5862 20.5500 20.5500 20.5983 20.5983 21.0265 21.0265 k = 0.2436 0.3445 0.5967 ( 820 PWs) bands (ev): -46.1719 -46.1719 -20.5734 -20.5734 -12.9621 -12.9621 -12.9162 -12.9162 13.9316 13.9316 14.5193 14.5193 14.5818 14.5818 20.5623 20.5623 20.5951 20.5951 20.9932 20.9932 k = 0.2468 0.3490 0.6045 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9509 -12.9509 -12.9279 -12.9279 13.9349 13.9349 14.5372 14.5372 14.5712 14.5712 20.5732 20.5732 20.5899 20.5899 20.9737 20.9737 k = 0.2500 0.3536 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9395 -12.9395 -12.9395 -12.9395 13.9361 13.9361 14.5553 14.5553 14.5553 14.5553 20.5825 20.5825 20.5825 20.5825 20.9674 20.9674 k = 0.2500 0.3536 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9395 -12.9395 -12.9395 -12.9395 13.9361 13.9361 14.5553 14.5553 14.5553 14.5553 20.5825 20.5825 20.5825 20.5825 20.9674 20.9674 k = 0.2532 0.3445 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9510 -12.9510 -12.9279 -12.9279 13.9347 13.9347 14.5353 14.5353 14.5734 14.5734 20.5729 20.5729 20.5901 20.5901 20.9734 20.9734 k = 0.2564 0.3354 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9622 -12.9622 -12.9161 -12.9161 13.9301 13.9301 14.5124 14.5124 14.5915 14.5915 20.5612 20.5612 20.5960 20.5960 20.9909 20.9909 k = 0.2596 0.3264 0.6124 ( 814 PWs) bands (ev): -46.1718 -46.1718 -20.5732 -20.5732 -12.9733 -12.9733 -12.9040 -12.9040 13.9217 13.9217 14.4881 14.4881 14.6094 14.6094 20.5473 20.5473 20.6000 20.6000 21.0188 21.0188 k = 0.2628 0.3173 0.6124 ( 814 PWs) bands (ev): -46.1719 -46.1719 -20.5731 -20.5731 -12.9842 -12.9842 -12.8920 -12.8920 13.9088 13.9088 14.4638 14.4638 14.6270 14.6270 20.5314 20.5314 20.6021 20.6021 21.0560 21.0560 k = 0.2660 0.3082 0.6124 ( 814 PWs) bands (ev): -46.1719 -46.1719 -20.5730 -20.5730 -12.9949 -12.9949 -12.8800 -12.8800 13.8910 13.8910 14.4408 14.4408 14.6441 14.6441 20.5135 20.5135 20.6022 20.6022 21.1015 21.1015 k = 0.2692 0.2992 0.6124 ( 814 PWs) bands (ev): -46.1719 -46.1719 -20.5730 -20.5730 -13.0054 -13.0054 -12.8681 -12.8681 13.8679 13.8679 14.4202 14.4202 14.6606 14.6606 20.4936 20.4936 20.6001 20.6001 21.1541 21.1541 k = 0.2724 0.2901 0.6124 ( 811 PWs) bands (ev): -46.1719 -46.1719 -20.5728 -20.5728 -13.0155 -13.0155 -12.8562 -12.8562 13.8397 13.8397 14.4026 14.4026 14.6763 14.6763 20.4718 20.4718 20.5958 20.5958 21.2129 21.2129 k = 0.2756 0.2810 0.6124 ( 811 PWs) bands (ev): -46.1719 -46.1719 -20.5728 -20.5728 -13.0255 -13.0255 -12.8446 -12.8446 13.8068 13.8068 14.3883 14.3883 14.6912 14.6912 20.4480 20.4480 20.5892 20.5892 21.2770 21.2770 k = 0.2788 0.2720 0.6124 ( 811 PWs) bands (ev): -46.1719 -46.1719 -20.5728 -20.5728 -13.0353 -13.0353 -12.8331 -12.8331 13.7701 13.7701 14.3771 14.3771 14.7050 14.7050 20.4223 20.4223 20.5803 20.5803 21.3455 21.3455 k = 0.2821 0.2629 0.6124 ( 808 PWs) bands (ev): -46.1718 -46.1718 -20.5727 -20.5727 -13.0446 -13.0446 -12.8220 -12.8220 13.7306 13.7306 14.3687 14.3687 14.7176 14.7176 20.3946 20.3946 20.5689 20.5689 21.4176 21.4176 k = 0.2853 0.2538 0.6124 ( 808 PWs) bands (ev): -46.1718 -46.1718 -20.5728 -20.5728 -13.0538 -13.0538 -12.8111 -12.8111 13.6895 13.6895 14.3624 14.3624 14.7290 14.7290 20.3650 20.3650 20.5551 20.5551 21.4925 21.4925 k = 0.2885 0.2448 0.6124 ( 814 PWs) bands (ev): -46.1717 -46.1717 -20.5732 -20.5732 -13.0628 -13.0628 -12.8008 -12.8008 13.6476 13.6476 14.3577 14.3577 14.7389 14.7389 20.3336 20.3336 20.5388 20.5388 21.5696 21.5696 k = 0.2917 0.2357 0.6124 ( 814 PWs) bands (ev): -46.1716 -46.1716 -20.5734 -20.5734 -13.0715 -13.0715 -12.7908 -12.7908 13.6062 13.6062 14.3542 14.3542 14.7471 14.7471 20.3005 20.3005 20.5201 20.5201 21.6482 21.6482 k = 0.2949 0.2266 0.6124 ( 814 PWs) bands (ev): -46.1715 -46.1715 -20.5737 -20.5737 -13.0799 -13.0799 -12.7812 -12.7812 13.5661 13.5661 14.3512 14.3512 14.7537 14.7537 20.2657 20.2657 20.4990 20.4990 21.7278 21.7278 k = 0.2981 0.2176 0.6124 ( 814 PWs) bands (ev): -46.1713 -46.1713 -20.5740 -20.5740 -13.0880 -13.0880 -12.7721 -12.7721 13.5281 13.5281 14.3483 14.3483 14.7584 14.7584 20.2293 20.2293 20.4756 20.4756 21.8079 21.8079 k = 0.3013 0.2085 0.6124 ( 814 PWs) bands (ev): -46.1711 -46.1711 -20.5744 -20.5744 -13.0957 -13.0957 -12.7636 -12.7636 13.4929 13.4929 14.3453 14.3453 14.7610 14.7610 20.1916 20.1916 20.4501 20.4501 21.8881 21.8881 k = 0.3045 0.1994 0.6124 ( 814 PWs) bands (ev): -46.1709 -46.1709 -20.5749 -20.5749 -13.1032 -13.1032 -12.7556 -12.7556 13.4611 13.4611 14.3416 14.3416 14.7616 14.7616 20.1527 20.1527 20.4226 20.4226 21.9680 21.9680 k = 0.3077 0.1904 0.6124 ( 814 PWs) bands (ev): -46.1706 -46.1706 -20.5755 -20.5755 -13.1104 -13.1104 -12.7484 -12.7484 13.4333 13.4333 14.3371 14.3371 14.7598 14.7598 20.1128 20.1128 20.3933 20.3933 22.0474 22.0474 k = 0.3109 0.1813 0.6124 ( 814 PWs) bands (ev): -46.1703 -46.1703 -20.5762 -20.5762 -13.1172 -13.1172 -12.7418 -12.7418 13.4098 13.4098 14.3315 14.3315 14.7557 14.7557 20.0722 20.0722 20.3625 20.3625 22.1259 22.1259 k = 0.3141 0.1722 0.6124 ( 814 PWs) bands (ev): -46.1699 -46.1699 -20.5770 -20.5770 -13.1238 -13.1238 -12.7358 -12.7358 13.3911 13.3911 14.3246 14.3246 14.7490 14.7490 20.0310 20.0310 20.3305 20.3305 22.2033 22.2033 k = 0.3173 0.1632 0.6124 ( 814 PWs) bands (ev): -46.1695 -46.1695 -20.5779 -20.5779 -13.1300 -13.1300 -12.7307 -12.7307 13.3775 13.3775 14.3162 14.3162 14.7397 14.7397 19.9896 19.9896 20.2975 20.2975 22.2795 22.2795 k = 0.3205 0.1541 0.6124 ( 814 PWs) bands (ev): -46.1690 -46.1690 -20.5789 -20.5789 -13.1359 -13.1359 -12.7263 -12.7263 13.3694 13.3694 14.3061 14.3061 14.7276 14.7276 19.9482 19.9482 20.2639 20.2639 22.3544 22.3544 k = 0.3237 0.1450 0.6124 ( 820 PWs) bands (ev): -46.1685 -46.1685 -20.5802 -20.5802 -13.1414 -13.1414 -12.7231 -12.7231 13.3669 13.3669 14.2942 14.2942 14.7128 14.7128 19.9072 19.9072 20.2300 20.2300 22.4278 22.4278 k = 0.3269 0.1360 0.6124 ( 820 PWs) bands (ev): -46.1680 -46.1680 -20.5814 -20.5814 -13.1467 -13.1467 -12.7203 -12.7203 13.3704 13.3704 14.2802 14.2802 14.6950 14.6950 19.8667 19.8667 20.1962 20.1962 22.4997 22.4997 k = 0.3301 0.1269 0.6124 ( 814 PWs) bands (ev): -46.1674 -46.1674 -20.5825 -20.5825 -13.1514 -13.1514 -12.7183 -12.7183 13.3801 13.3801 14.2642 14.2642 14.6742 14.6742 19.8273 19.8273 20.1629 20.1629 22.5701 22.5701 k = 0.3333 0.1179 0.6124 ( 814 PWs) bands (ev): -46.1667 -46.1667 -20.5840 -20.5840 -13.1560 -13.1560 -12.7172 -12.7172 13.3960 13.3960 14.2460 14.2460 14.6504 14.6504 19.7891 19.7891 20.1303 20.1303 22.6389 22.6389 k = 0.3365 0.1088 0.6124 ( 814 PWs) bands (ev): -46.1660 -46.1660 -20.5855 -20.5855 -13.1603 -13.1603 -12.7170 -12.7170 13.4184 13.4184 14.2254 14.2254 14.6234 14.6234 19.7524 19.7524 20.0990 20.0990 22.7061 22.7061 k = 0.3397 0.0997 0.6124 ( 814 PWs) bands (ev): -46.1653 -46.1653 -20.5871 -20.5871 -13.1642 -13.1642 -12.7177 -12.7177 13.4473 13.4473 14.2026 14.2026 14.5934 14.5934 19.7175 19.7175 20.0691 20.0691 22.7718 22.7718 k = 0.3429 0.0907 0.6124 ( 814 PWs) bands (ev): -46.1645 -46.1645 -20.5889 -20.5889 -13.1678 -13.1678 -12.7192 -12.7192 13.4829 13.4829 14.1773 14.1773 14.5603 14.5603 19.6848 19.6848 20.0411 20.0411 22.8360 22.8360 k = 0.3462 0.0816 0.6124 ( 808 PWs) bands (ev): -46.1636 -46.1636 -20.5905 -20.5905 -13.1711 -13.1711 -12.7213 -12.7213 13.5253 13.5253 14.1496 14.1496 14.5241 14.5241 19.6545 19.6545 20.0152 20.0152 22.8987 22.8987 k = 0.3494 0.0725 0.6124 ( 808 PWs) bands (ev): -46.1627 -46.1627 -20.5925 -20.5925 -13.1741 -13.1741 -12.7245 -12.7245 13.5745 13.5745 14.1194 14.1194 14.4849 14.4849 19.6268 19.6268 19.9918 19.9918 22.9599 22.9599 k = 0.3526 0.0635 0.6124 ( 808 PWs) bands (ev): -46.1618 -46.1618 -20.5946 -20.5946 -13.1768 -13.1768 -12.7285 -12.7285 13.6306 13.6306 14.0868 14.0868 14.4427 14.4427 19.6020 19.6020 19.9711 19.9711 23.0198 23.0198 k = 0.3558 0.0544 0.6124 ( 802 PWs) bands (ev): -46.1608 -46.1608 -20.5965 -20.5965 -13.1791 -13.1791 -12.7333 -12.7333 13.6936 13.6936 14.0519 14.0519 14.3976 14.3976 19.5802 19.5802 19.9532 19.9532 23.0783 23.0783 k = 0.3590 0.0453 0.6124 ( 811 PWs) bands (ev): -46.1598 -46.1598 -20.5991 -20.5991 -13.1814 -13.1814 -12.7391 -12.7391 13.7634 13.7634 14.0145 14.0145 14.3498 14.3498 19.5617 19.5617 19.9385 19.9385 23.1355 23.1355 k = 0.3622 0.0363 0.6124 ( 811 PWs) bands (ev): -46.1588 -46.1588 -20.6015 -20.6015 -13.1832 -13.1832 -12.7455 -12.7455 13.8402 13.8402 13.9750 13.9750 14.2993 14.2993 19.5467 19.5467 19.9270 19.9270 23.1914 23.1914 k = 0.3654 0.0272 0.6124 ( 805 PWs) bands (ev): -46.1576 -46.1576 -20.6037 -20.6037 -13.1847 -13.1847 -12.7525 -12.7525 13.9218 13.9218 13.9354 13.9354 14.2463 14.2463 19.5352 19.5352 19.9190 19.9190 23.2460 23.2460 k = 0.3686 0.0181 0.6124 ( 805 PWs) bands (ev): -46.1565 -46.1565 -20.6063 -20.6063 -13.1860 -13.1860 -12.7603 -12.7603 13.8889 13.8889 14.0152 14.0152 14.1909 14.1909 19.5273 19.5273 19.9144 19.9144 23.2994 23.2994 k = 0.3718 0.0091 0.6124 ( 805 PWs) bands (ev): -46.1553 -46.1553 -20.6089 -20.6089 -13.1870 -13.1870 -12.7688 -12.7688 13.8432 13.8432 14.1127 14.1127 14.1334 14.1334 19.5232 19.5232 19.9135 19.9135 23.3515 23.3515 k = 0.3750-0.0000 0.6124 ( 805 PWs) bands (ev): -46.1541 -46.1541 -20.6116 -20.6116 -13.1878 -13.1878 -12.7780 -12.7780 13.7956 13.7956 14.0740 14.0740 14.2171 14.2171 19.5229 19.5229 19.9162 19.9162 23.4024 23.4024 k = 0.3782-0.0091 0.6124 ( 805 PWs) bands (ev): -46.1528 -46.1528 -20.6144 -20.6144 -13.1883 -13.1883 -12.7878 -12.7878 13.7462 13.7462 14.0128 14.0128 14.3283 14.3283 19.5265 19.5265 19.9225 19.9225 23.4520 23.4520 k = 0.3814-0.0181 0.6124 ( 805 PWs) bands (ev): -46.1516 -46.1516 -20.6173 -20.6173 -13.1886 -13.1886 -12.7981 -12.7981 13.6954 13.6954 13.9500 13.9500 14.4463 14.4463 19.5340 19.5340 19.9326 19.9326 23.5003 23.5003 k = 0.3846-0.0272 0.6124 ( 805 PWs) bands (ev): -46.1503 -46.1503 -20.6202 -20.6202 -13.1887 -13.1887 -12.8089 -12.8089 13.6432 13.6432 13.8859 13.8859 14.5709 14.5709 19.5454 19.5454 19.9463 19.9463 23.5471 23.5471 k = 0.3878-0.0363 0.6124 ( 802 PWs) bands (ev): -46.1489 -46.1489 -20.6231 -20.6231 -13.1886 -13.1886 -12.8200 -12.8200 13.5899 13.5899 13.8208 13.8208 14.7022 14.7022 19.5607 19.5607 19.9637 19.9637 23.5925 23.5925 k = 0.3910-0.0453 0.6124 ( 802 PWs) bands (ev): -46.1476 -46.1476 -20.6261 -20.6261 -13.1883 -13.1883 -12.8317 -12.8317 13.5356 13.5356 13.7547 13.7547 14.8399 14.8399 19.5800 19.5800 19.9848 19.9848 23.6362 23.6362 k = 0.3942-0.0544 0.6124 ( 802 PWs) bands (ev): -46.1462 -46.1462 -20.6292 -20.6292 -13.1878 -13.1878 -12.8438 -12.8438 13.4806 13.4806 13.6880 13.6880 14.9840 14.9840 19.6030 19.6030 20.0094 20.0094 23.6781 23.6781 k = 0.3974-0.0635 0.6124 ( 805 PWs) bands (ev): -46.1449 -46.1449 -20.6324 -20.6324 -13.1872 -13.1872 -12.8563 -12.8563 13.4249 13.4249 13.6209 13.6209 15.1344 15.1344 19.6300 19.6300 20.0375 20.0375 23.7181 23.7181 k = 0.4006-0.0725 0.6124 ( 805 PWs) bands (ev): -46.1435 -46.1435 -20.6356 -20.6356 -13.1863 -13.1863 -12.8689 -12.8689 13.3689 13.3689 13.5536 13.5536 15.2910 15.2910 19.6607 19.6607 20.0691 20.0691 23.7558 23.7558 k = 0.4038-0.0816 0.6124 ( 805 PWs) bands (ev): -46.1421 -46.1421 -20.6387 -20.6387 -13.1854 -13.1854 -12.8818 -12.8818 13.3126 13.3126 13.4862 13.4862 15.4536 15.4536 19.6951 19.6951 20.1041 20.1041 23.7910 23.7910 k = 0.4071-0.0907 0.6124 ( 805 PWs) bands (ev): -46.1407 -46.1407 -20.6419 -20.6419 -13.1842 -13.1842 -12.8948 -12.8948 13.2564 13.2564 13.4192 13.4192 15.6220 15.6220 19.7333 19.7333 20.1423 20.1423 23.8231 23.8231 k = 0.4103-0.0997 0.6124 ( 811 PWs) bands (ev): -46.1393 -46.1393 -20.6453 -20.6453 -13.1830 -13.1830 -12.9083 -12.9083 13.2003 13.2003 13.3525 13.3525 15.7962 15.7962 19.7751 19.7751 20.1838 20.1838 23.8518 23.8518 k = 0.4135-0.1088 0.6124 ( 808 PWs) bands (ev): -46.1379 -46.1379 -20.6484 -20.6484 -13.1817 -13.1817 -12.9214 -12.9214 13.1446 13.1446 13.2865 13.2865 15.9759 15.9759 19.8205 19.8205 20.2285 20.2285 23.8764 23.8764 k = 0.4167-0.1179 0.6124 ( 808 PWs) bands (ev): -46.1365 -46.1365 -20.6516 -20.6516 -13.1802 -13.1802 -12.9346 -12.9346 13.0894 13.0894 13.2214 13.2214 16.1610 16.1610 19.8695 19.8695 20.2762 20.2762 23.8960 23.8960 k = 0.4199-0.1269 0.6124 ( 808 PWs) bands (ev): -46.1352 -46.1352 -20.6547 -20.6547 -13.1787 -13.1787 -12.9478 -12.9478 13.0349 13.0349 13.1572 13.1572 16.3513 16.3513 19.9220 19.9220 20.3269 20.3269 23.9097 23.9097 k = 0.4231-0.1360 0.6124 ( 808 PWs) bands (ev): -46.1338 -46.1338 -20.6579 -20.6579 -13.1771 -13.1771 -12.9609 -12.9609 12.9813 12.9813 13.0943 13.0943 16.5466 16.5466 19.9779 19.9779 20.3805 20.3805 23.9162 23.9162 k = 0.4263-0.1450 0.6124 ( 811 PWs) bands (ev): -46.1325 -46.1325 -20.6611 -20.6611 -13.1756 -13.1756 -12.9739 -12.9739 12.9287 12.9287 13.0327 13.0327 16.7466 16.7466 20.0373 20.0373 20.4368 20.4368 23.9140 23.9140 k = 0.4295-0.1541 0.6124 ( 811 PWs) bands (ev): -46.1312 -46.1312 -20.6641 -20.6641 -13.1739 -13.1739 -12.9867 -12.9867 12.8773 12.8773 12.9726 12.9726 16.9510 16.9510 20.1001 20.1001 20.4959 20.4959 23.9015 23.9015 k = 0.4327-0.1632 0.6124 ( 811 PWs) bands (ev): -46.1299 -46.1299 -20.6671 -20.6671 -13.1721 -13.1721 -12.9993 -12.9993 12.8272 12.8272 12.9142 12.9142 17.1596 17.1596 20.1663 20.1663 20.5575 20.5575 23.8771 23.8771 k = 0.4359-0.1722 0.6124 ( 811 PWs) bands (ev): -46.1287 -46.1287 -20.6700 -20.6700 -13.1704 -13.1704 -13.0116 -13.0116 12.7786 12.7786 12.8576 12.8576 17.3720 17.3720 20.2359 20.2359 20.6217 20.6217 23.8397 23.8397 k = 0.4391-0.1813 0.6124 ( 811 PWs) bands (ev): -46.1274 -46.1274 -20.6729 -20.6729 -13.1686 -13.1686 -13.0236 -13.0236 12.7316 12.7316 12.8030 12.8030 17.5879 17.5879 20.3090 20.3090 20.6883 20.6883 23.7888 23.7888 k = 0.4423-0.1904 0.6124 ( 817 PWs) bands (ev): -46.1263 -46.1263 -20.6758 -20.6758 -13.1670 -13.1670 -13.0354 -13.0354 12.6862 12.6862 12.7504 12.7504 17.8070 17.8070 20.3855 20.3855 20.7572 20.7572 23.7251 23.7251 k = 0.4455-0.1994 0.6124 ( 817 PWs) bands (ev): -46.1252 -46.1252 -20.6785 -20.6785 -13.1653 -13.1653 -13.0466 -13.0466 12.6427 12.6427 12.7000 12.7000 18.0286 18.0286 20.4655 20.4655 20.8282 20.8282 23.6501 23.6501 k = 0.4487-0.2085 0.6124 ( 817 PWs) bands (ev): -46.1241 -46.1241 -20.6811 -20.6811 -13.1636 -13.1636 -13.0574 -13.0574 12.6012 12.6012 12.6520 12.6520 18.2524 18.2524 20.5491 20.5491 20.9013 20.9013 23.5656 23.5656 k = 0.4519-0.2176 0.6124 ( 820 PWs) bands (ev): -46.1230 -46.1230 -20.6837 -20.6837 -13.1620 -13.1620 -13.0679 -13.0679 12.5616 12.5616 12.6064 12.6064 18.4776 18.4776 20.6365 20.6365 20.9763 20.9763 23.4735 23.4735 k = 0.4551-0.2266 0.6124 ( 820 PWs) bands (ev): -46.1220 -46.1220 -20.6860 -20.6860 -13.1604 -13.1604 -13.0777 -13.0777 12.5242 12.5242 12.5632 12.5632 18.7037 18.7037 20.7279 20.7279 21.0530 21.0530 23.3756 23.3756 k = 0.4583-0.2357 0.6124 ( 826 PWs) bands (ev): -46.1211 -46.1211 -20.6884 -20.6884 -13.1590 -13.1590 -13.0870 -13.0870 12.4891 12.4891 12.5227 12.5227 18.9297 18.9297 20.8233 20.8233 21.1313 21.1313 23.2734 23.2734 k = 0.4615-0.2448 0.6124 ( 826 PWs) bands (ev): -46.1203 -46.1203 -20.6905 -20.6905 -13.1576 -13.1576 -13.0957 -13.0957 12.4562 12.4562 12.4849 12.4849 19.1547 19.1547 20.9233 20.9233 21.2110 21.2110 23.1680 23.1680 k = 0.4647-0.2538 0.6124 ( 826 PWs) bands (ev): -46.1194 -46.1194 -20.6925 -20.6925 -13.1562 -13.1562 -13.1039 -13.1039 12.4256 12.4256 12.4498 12.4498 19.3774 19.3774 21.0281 21.0281 21.2917 21.2917 23.0605 23.0605 k = 0.4679-0.2629 0.6124 ( 826 PWs) bands (ev): -46.1187 -46.1187 -20.6943 -20.6943 -13.1549 -13.1549 -13.1114 -13.1114 12.3976 12.3976 12.4175 12.4175 19.5966 19.5966 21.1382 21.1382 21.3731 21.3731 22.9517 22.9517 k = 0.4712-0.2720 0.6124 ( 826 PWs) bands (ev): -46.1180 -46.1180 -20.6960 -20.6960 -13.1537 -13.1537 -13.1182 -13.1182 12.3720 12.3720 12.3881 12.3881 19.8106 19.8106 21.2539 21.2539 21.4548 21.4548 22.8427 22.8427 k = 0.4744-0.2810 0.6124 ( 826 PWs) bands (ev): -46.1174 -46.1174 -20.6975 -20.6975 -13.1526 -13.1526 -13.1244 -13.1244 12.3489 12.3489 12.3617 12.3617 20.0176 20.0176 21.3756 21.3756 21.5363 21.5363 22.7342 22.7342 k = 0.4776-0.2901 0.6124 ( 826 PWs) bands (ev): -46.1168 -46.1168 -20.6988 -20.6988 -13.1516 -13.1516 -13.1299 -13.1299 12.3285 12.3285 12.3383 12.3383 20.2153 20.2153 21.5032 21.5032 21.6168 21.6168 22.6278 22.6278 k = 0.4808-0.2992 0.6124 ( 826 PWs) bands (ev): -46.1163 -46.1163 -20.6999 -20.6999 -13.1508 -13.1508 -13.1347 -13.1347 12.3107 12.3107 12.3179 12.3179 20.4014 20.4014 21.6358 21.6358 21.6951 21.6951 22.5254 22.5254 k = 0.4840-0.3082 0.6124 ( 826 PWs) bands (ev): -46.1159 -46.1159 -20.7009 -20.7009 -13.1500 -13.1500 -13.1388 -13.1388 12.2956 12.2956 12.3006 12.3006 20.5732 20.5732 21.7699 21.7699 21.7704 21.7704 22.4312 22.4312 k = 0.4872-0.3173 0.6124 ( 832 PWs) bands (ev): -46.1156 -46.1156 -20.7019 -20.7019 -13.1496 -13.1496 -13.1423 -13.1423 12.2832 12.2832 12.2864 12.2864 20.7276 20.7276 21.8389 21.8389 21.8977 21.8977 22.3550 22.3550 k = 0.4904-0.3264 0.6124 ( 832 PWs) bands (ev): -46.1153 -46.1153 -20.7026 -20.7026 -13.1491 -13.1491 -13.1449 -13.1449 12.2735 12.2735 12.2753 12.2753 20.8604 20.8604 21.8995 21.8995 21.9916 21.9916 22.3233 22.3233 k = 0.4936-0.3354 0.6124 ( 838 PWs) bands (ev): -46.1152 -46.1152 -20.7032 -20.7032 -13.1490 -13.1490 -13.1469 -13.1469 12.2665 12.2665 12.2673 12.2673 20.9657 20.9657 21.9476 21.9476 22.0163 22.0163 22.3702 22.3702 k = 0.4968-0.3445 0.6124 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7041 -20.7041 -13.1490 -13.1490 -13.1486 -13.1486 12.2624 12.2624 12.2626 12.2626 21.0351 21.0351 21.9790 21.9790 22.0002 22.0002 22.4578 22.4578 k = 0.5000-0.3536 0.6124 ( 856 PWs) bands (ev): -46.1151 -46.1151 -20.7042 -20.7042 -13.1489 -13.1489 -13.1489 -13.1489 12.2610 12.2610 12.2610 12.2610 21.0597 21.0597 21.9900 21.9900 21.9900 21.9900 22.5038 22.5038 k = 0.2500 0.3536 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9395 -12.9395 -12.9395 -12.9395 13.9361 13.9361 14.5553 14.5553 14.5553 14.5553 20.5825 20.5825 20.5825 20.5825 20.9674 20.9674 k = 0.2444 0.3457 0.6124 ( 820 PWs) bands (ev): -46.1718 -46.1718 -20.5735 -20.5735 -12.9510 -12.9510 -12.9279 -12.9279 13.9348 13.9348 14.5359 14.5359 14.5727 14.5727 20.5731 20.5731 20.5900 20.5900 20.9736 20.9736 k = 0.2389 0.3378 0.6124 ( 820 PWs) bands (ev): -46.1719 -46.1719 -20.5734 -20.5734 -12.9622 -12.9622 -12.9161 -12.9161 13.9308 13.9308 14.5131 14.5131 14.5895 14.5895 20.5619 20.5619 20.5952 20.5952 20.9923 20.9923 k = 0.2333 0.3300 0.6124 ( 820 PWs) bands (ev): -46.1719 -46.1719 -20.5733 -20.5733 -12.9732 -12.9732 -12.9041 -12.9041 13.9240 13.9240 14.4860 14.4860 14.6070 14.6070 20.5487 20.5487 20.5981 20.5981 21.0236 21.0236 k = 0.2278 0.3221 0.6124 ( 816 PWs) bands (ev): -46.1719 -46.1719 -20.5731 -20.5731 -12.9840 -12.9840 -12.8919 -12.8919 13.9140 13.9140 14.4546 14.4546 14.6263 14.6263 20.5333 20.5333 20.5987 20.5987 21.0675 21.0675 k = 0.2222 0.3143 0.6124 ( 808 PWs) bands (ev): -46.1719 -46.1719 -20.5726 -20.5726 -12.9943 -12.9943 -12.8795 -12.8795 13.9002 13.9002 14.4191 14.4191 14.6478 14.6478 20.5153 20.5153 20.5974 20.5974 21.1238 21.1238 k = 0.2167 0.3064 0.6124 ( 806 PWs) bands (ev): -46.1720 -46.1720 -20.5724 -20.5724 -13.0046 -13.0046 -12.8672 -12.8672 13.8817 13.8817 14.3808 14.3808 14.6718 14.6718 20.4943 20.4943 20.5945 20.5945 21.1917 21.1917 k = 0.2111 0.2986 0.6124 ( 806 PWs) bands (ev): -46.1721 -46.1721 -20.5721 -20.5721 -13.0147 -13.0147 -12.8547 -12.8547 13.8576 13.8576 14.3413 14.3413 14.6986 14.6986 20.4702 20.4702 20.5907 20.5907 21.2707 21.2707 k = 0.2056 0.2907 0.6124 ( 806 PWs) bands (ev): -46.1722 -46.1722 -20.5718 -20.5718 -13.0245 -13.0245 -12.8422 -12.8422 13.8263 13.8263 14.3028 14.3028 14.7280 14.7280 20.4430 20.4430 20.5863 20.5863 21.3598 21.3598 k = 0.2000 0.2828 0.6124 ( 806 PWs) bands (ev): -46.1723 -46.1723 -20.5715 -20.5715 -13.0341 -13.0341 -12.8296 -12.8296 13.7865 13.7865 14.2672 14.2672 14.7599 14.7599 20.4127 20.4127 20.5814 20.5814 21.4584 21.4584 k = 0.1944 0.2750 0.6124 ( 806 PWs) bands (ev): -46.1724 -46.1724 -20.5712 -20.5712 -13.0434 -13.0434 -12.8170 -12.8170 13.7375 13.7375 14.2365 14.2365 14.7943 14.7943 20.3797 20.3797 20.5762 20.5762 21.5653 21.5653 k = 0.1889 0.2671 0.6124 ( 812 PWs) bands (ev): -46.1726 -46.1726 -20.5710 -20.5710 -13.0525 -13.0525 -12.8045 -12.8045 13.6789 13.6789 14.2115 14.2115 14.8311 14.8311 20.3443 20.3443 20.5708 20.5708 21.6800 21.6800 k = 0.1833 0.2593 0.6124 ( 812 PWs) bands (ev): -46.1727 -46.1727 -20.5706 -20.5706 -13.0613 -13.0613 -12.7919 -12.7919 13.6116 13.6116 14.1924 14.1924 14.8699 14.8699 20.3068 20.3068 20.5652 20.5652 21.8014 21.8014 k = 0.1778 0.2514 0.6124 ( 810 PWs) bands (ev): -46.1728 -46.1728 -20.5701 -20.5701 -13.0697 -13.0697 -12.7792 -12.7792 13.5367 13.5367 14.1787 14.1787 14.9108 14.9108 20.2676 20.2676 20.5595 20.5595 21.9289 21.9289 k = 0.1722 0.2436 0.6124 ( 810 PWs) bands (ev): -46.1730 -46.1730 -20.5696 -20.5696 -13.0779 -13.0779 -12.7666 -12.7666 13.4556 13.4556 14.1699 14.1699 14.9535 14.9535 20.2270 20.2270 20.5537 20.5537 22.0617 22.0617 k = 0.1667 0.2357 0.6124 ( 810 PWs) bands (ev): -46.1731 -46.1731 -20.5691 -20.5691 -13.0858 -13.0858 -12.7541 -12.7541 13.3698 13.3698 14.1650 14.1650 14.9978 14.9978 20.1853 20.1853 20.5477 20.5477 22.1991 22.1991 k = 0.1611 0.2278 0.6124 ( 810 PWs) bands (ev): -46.1733 -46.1733 -20.5686 -20.5686 -13.0934 -13.0934 -12.7417 -12.7417 13.2804 13.2804 14.1635 14.1635 15.0436 15.0436 20.1429 20.1429 20.5416 20.5416 22.3404 22.3404 k = 0.1556 0.2200 0.6124 ( 806 PWs) bands (ev): -46.1735 -46.1735 -20.5680 -20.5680 -13.1006 -13.1006 -12.7293 -12.7293 13.1886 13.1886 14.1649 14.1649 15.0908 15.0908 20.1000 20.1000 20.5354 20.5354 22.4851 22.4851 k = 0.1500 0.2121 0.6124 ( 806 PWs) bands (ev): -46.1736 -46.1736 -20.5675 -20.5675 -13.1076 -13.1076 -12.7172 -12.7172 13.0953 13.0953 14.1686 14.1686 15.1391 15.1391 20.0568 20.0568 20.5291 20.5291 22.6323 22.6323 k = 0.1444 0.2043 0.6124 ( 806 PWs) bands (ev): -46.1738 -46.1738 -20.5669 -20.5669 -13.1144 -13.1144 -12.7052 -12.7052 13.0012 13.0012 14.1744 14.1744 15.1884 15.1884 20.0137 20.0137 20.5228 20.5228 22.7817 22.7817 k = 0.1389 0.1964 0.6124 ( 802 PWs) bands (ev): -46.1740 -46.1740 -20.5662 -20.5662 -13.1207 -13.1207 -12.6933 -12.6933 12.9072 12.9072 14.1820 14.1820 15.2386 15.2386 19.9709 19.9709 20.5164 20.5164 22.9324 22.9324 k = 0.1333 0.1886 0.6124 ( 810 PWs) bands (ev): -46.1742 -46.1742 -20.5659 -20.5659 -13.1270 -13.1270 -12.6820 -12.6820 12.8136 12.8136 14.1911 14.1911 15.2893 15.2893 19.9285 19.9285 20.5099 20.5099 23.0837 23.0837 k = 0.1278 0.1807 0.6124 ( 812 PWs) bands (ev): -46.1744 -46.1744 -20.5654 -20.5654 -13.1329 -13.1329 -12.6707 -12.6707 12.7211 12.7211 14.2016 14.2016 15.3405 15.3405 19.8867 19.8867 20.5035 20.5035 23.2348 23.2348 k = 0.1222 0.1728 0.6124 ( 812 PWs) bands (ev): -46.1746 -46.1746 -20.5649 -20.5649 -13.1385 -13.1385 -12.6596 -12.6596 12.6302 12.6302 14.2132 14.2132 15.3920 15.3920 19.8458 19.8458 20.4971 20.4971 23.3844 23.3844 k = 0.1167 0.1650 0.6124 ( 808 PWs) bands (ev): -46.1748 -46.1748 -20.5642 -20.5642 -13.1437 -13.1437 -12.6487 -12.6487 12.5411 12.5411 14.2257 14.2257 15.4436 15.4436 19.8058 19.8058 20.4907 20.4907 23.5300 23.5300 k = 0.1111 0.1571 0.6124 ( 808 PWs) bands (ev): -46.1749 -46.1749 -20.5637 -20.5637 -13.1487 -13.1487 -12.6383 -12.6383 12.4543 12.4543 14.2391 14.2391 15.4950 15.4950 19.7670 19.7670 20.4844 20.4844 23.6665 23.6665 k = 0.1056 0.1493 0.6124 ( 812 PWs) bands (ev): -46.1751 -46.1751 -20.5632 -20.5632 -13.1536 -13.1536 -12.6282 -12.6282 12.3701 12.3701 14.2531 14.2531 15.5461 15.5461 19.7294 19.7294 20.4782 20.4782 23.7797 23.7797 k = 0.1000 0.1414 0.6124 ( 812 PWs) bands (ev): -46.1753 -46.1753 -20.5627 -20.5627 -13.1581 -13.1581 -12.6184 -12.6184 12.2887 12.2887 14.2676 14.2676 15.5966 15.5966 19.6932 19.6932 20.4721 20.4721 23.8360 23.8360 k = 0.0944 0.1336 0.6124 ( 812 PWs) bands (ev): -46.1755 -46.1755 -20.5622 -20.5622 -13.1623 -13.1623 -12.6090 -12.6090 12.2105 12.2105 14.2824 14.2824 15.6463 15.6463 19.6584 19.6584 20.4661 20.4661 23.8187 23.8187 k = 0.0889 0.1257 0.6124 ( 812 PWs) bands (ev): -46.1757 -46.1757 -20.5617 -20.5617 -13.1662 -13.1662 -12.6000 -12.6000 12.1357 12.1357 14.2973 14.2973 15.6951 15.6951 19.6252 19.6252 20.4604 20.4604 23.7632 23.7632 k = 0.0833 0.1179 0.6124 ( 808 PWs) bands (ev): -46.1758 -46.1758 -20.5611 -20.5611 -13.1698 -13.1698 -12.5913 -12.5913 12.0644 12.0644 14.3124 14.3124 15.7426 15.7426 19.5937 19.5937 20.4548 20.4548 23.6955 23.6955 k = 0.0778 0.1100 0.6124 ( 816 PWs) bands (ev): -46.1760 -46.1760 -20.5609 -20.5609 -13.1734 -13.1734 -12.5833 -12.5833 11.9969 11.9969 14.3272 14.3272 15.7885 15.7885 19.5638 19.5638 20.4494 20.4494 23.6252 23.6252 k = 0.0722 0.1021 0.6124 ( 816 PWs) bands (ev): -46.1762 -46.1762 -20.5604 -20.5604 -13.1766 -13.1766 -12.5756 -12.5756 11.9334 11.9334 14.3419 14.3419 15.8328 15.8328 19.5358 19.5358 20.4443 20.4443 23.5558 23.5558 k = 0.0667 0.0943 0.6124 ( 816 PWs) bands (ev): -46.1763 -46.1763 -20.5600 -20.5600 -13.1795 -13.1795 -12.5684 -12.5684 11.8740 11.8740 14.3561 14.3561 15.8751 15.8751 19.5096 19.5096 20.4395 20.4395 23.4889 23.4889 k = 0.0611 0.0864 0.6124 ( 816 PWs) bands (ev): -46.1764 -46.1764 -20.5596 -20.5596 -13.1822 -13.1822 -12.5617 -12.5617 11.8188 11.8188 14.3698 14.3698 15.9151 15.9151 19.4853 19.4853 20.4350 20.4350 23.4254 23.4254 k = 0.0556 0.0786 0.6124 ( 820 PWs) bands (ev): -46.1766 -46.1766 -20.5594 -20.5594 -13.1847 -13.1847 -12.5557 -12.5557 11.7681 11.7681 14.3828 14.3828 15.9527 15.9527 19.4630 19.4630 20.4307 20.4307 23.3660 23.3660 k = 0.0500 0.0707 0.6124 ( 816 PWs) bands (ev): -46.1767 -46.1767 -20.5589 -20.5589 -13.1868 -13.1868 -12.5499 -12.5499 11.7218 11.7218 14.3950 14.3950 15.9876 15.9876 19.4427 19.4427 20.4268 20.4268 23.3112 23.3112 k = 0.0444 0.0629 0.6124 ( 816 PWs) bands (ev): -46.1768 -46.1768 -20.5586 -20.5586 -13.1888 -13.1888 -12.5448 -12.5448 11.6801 11.6801 14.4063 14.4063 16.0195 16.0195 19.4244 19.4244 20.4233 20.4233 23.2612 23.2612 k = 0.0389 0.0550 0.6124 ( 820 PWs) bands (ev): -46.1769 -46.1769 -20.5585 -20.5585 -13.1906 -13.1906 -12.5405 -12.5405 11.6432 11.6432 14.4166 14.4166 16.0482 16.0482 19.4082 19.4082 20.4201 20.4201 23.2163 23.2163 k = 0.0333 0.0471 0.6124 ( 820 PWs) bands (ev): -46.1770 -46.1770 -20.5583 -20.5583 -13.1920 -13.1920 -12.5365 -12.5365 11.6110 11.6110 14.4257 14.4257 16.0736 16.0736 19.3941 19.3941 20.4173 20.4173 23.1770 23.1770 k = 0.0278 0.0393 0.6124 ( 820 PWs) bands (ev): -46.1770 -46.1770 -20.5581 -20.5581 -13.1933 -13.1933 -12.5332 -12.5332 11.5836 11.5836 14.4335 14.4335 16.0954 16.0954 19.3821 19.3821 20.4149 20.4149 23.1433 23.1433 k = 0.0222 0.0314 0.6124 ( 816 PWs) bands (ev): -46.1771 -46.1771 -20.5578 -20.5578 -13.1942 -13.1942 -12.5304 -12.5304 11.5611 11.5611 14.4401 14.4401 16.1136 16.1136 19.3723 19.3723 20.4130 20.4130 23.1154 23.1154 k = 0.0167 0.0236 0.6124 ( 816 PWs) bands (ev): -46.1771 -46.1771 -20.5576 -20.5576 -13.1950 -13.1950 -12.5282 -12.5282 11.5436 11.5436 14.4453 14.4453 16.1278 16.1278 19.3646 19.3646 20.4114 20.4114 23.0936 23.0936 k = 0.0111 0.0157 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5575 -20.5575 -13.1955 -13.1955 -12.5266 -12.5266 11.5311 11.5311 14.4490 14.4490 16.1381 16.1381 19.3592 19.3592 20.4103 20.4103 23.0779 23.0779 k = 0.0056 0.0079 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5574 -20.5574 -13.1958 -13.1958 -12.5257 -12.5257 11.5236 11.5236 14.4512 14.4512 16.1442 16.1442 19.3559 19.3559 20.4096 20.4096 23.0685 23.0685 k = 0.0000 0.0000 0.6124 ( 814 PWs) bands (ev): -46.1772 -46.1772 -20.5574 -20.5574 -13.1960 -13.1960 -12.5254 -12.5254 11.5211 11.5211 14.4520 14.4520 16.1463 16.1463 19.3548 19.3548 20.4094 20.4094 23.0653 23.0653 Writing output data file Hf.save init_run : 0.13s CPU 0.24s WALL ( 1 calls) electrons : 19.11s CPU 19.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 19.10s CPU 19.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 425 calls) cegterg : 16.97s CPU 17.47s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 8.53s CPU 8.82s WALL ( 4363 calls) s_psi : 0.25s CPU 0.26s WALL ( 4363 calls) g_psi : 0.03s CPU 0.02s WALL ( 3513 calls) cdiaghg : 8.32s CPU 8.53s WALL ( 3938 calls) cegterg:over : 0.50s CPU 0.51s WALL ( 3513 calls) cegterg:upda : 0.35s CPU 0.38s WALL ( 3513 calls) cegterg:last : 0.22s CPU 0.21s WALL ( 913 calls) cdiaghg:chol : 0.43s CPU 0.46s WALL ( 3938 calls) cdiaghg:inve : 0.11s CPU 0.10s WALL ( 3938 calls) cdiaghg:para : 0.68s CPU 0.61s WALL ( 7876 calls) Called by h_psi: h_psi:vloc : 7.88s CPU 8.16s WALL ( 4363 calls) h_psi:vnl : 0.62s CPU 0.65s WALL ( 4363 calls) add_vuspsi : 0.41s CPU 0.35s WALL ( 4363 calls) General routines calbec : 0.21s CPU 0.29s WALL ( 4363 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 7.53s CPU 7.79s WALL ( 249240 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.04s CPU 0.14s WALL ( 850 calls) Parallel routines fft_scatter : 4.20s CPU 4.45s WALL ( 249263 calls) PWSCF : 25.40s CPU 43.43s WALL This run was terminated on: 19:25:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=