Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:36 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: ./Ge.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 7 4 1 72 35 7 Max 8 5 2 74 44 11 Sum 253 163 61 2637 1459 331 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.5721 a.u. unit-cell volume = 122.3333 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 4.00 number of Kohn-Sham states= 12 kinetic-energy cutoff = 20.0000 Ry charge density cutoff = 116.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.572113 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 499 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 2) = ( 0.0065790 -0.0037984 0.0053717), wk = 0.0020040 k( 3) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0020040 k( 4) = ( 0.0197368 -0.0113951 0.0161151), wk = 0.0020040 k( 5) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0020040 k( 6) = ( 0.0328947 -0.0189918 0.0268584), wk = 0.0020040 k( 7) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0020040 k( 8) = ( 0.0460526 -0.0265885 0.0376018), wk = 0.0020040 k( 9) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0020040 k( 10) = ( 0.0592105 -0.0341852 0.0483452), wk = 0.0020040 k( 11) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0020040 k( 12) = ( 0.0723684 -0.0417819 0.0590886), wk = 0.0020040 k( 13) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0020040 k( 14) = ( 0.0855263 -0.0493786 0.0698319), wk = 0.0020040 k( 15) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0020040 k( 16) = ( 0.0986842 -0.0569754 0.0805753), wk = 0.0020040 k( 17) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0020040 k( 18) = ( 0.1118421 -0.0645721 0.0913187), wk = 0.0020040 k( 19) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0020040 k( 20) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0020040 k( 21) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0020040 k( 22) = ( 0.1381579 -0.0797655 0.1128054), wk = 0.0020040 k( 23) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0020040 k( 24) = ( 0.1513158 -0.0873622 0.1235488), wk = 0.0020040 k( 25) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0020040 k( 26) = ( 0.1644737 -0.0949589 0.1342922), wk = 0.0020040 k( 27) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0020040 k( 28) = ( 0.1776316 -0.1025556 0.1450356), wk = 0.0020040 k( 29) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0020040 k( 30) = ( 0.1907895 -0.1101524 0.1557789), wk = 0.0020040 k( 31) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0020040 k( 32) = ( 0.2039474 -0.1177491 0.1665223), wk = 0.0020040 k( 33) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0020040 k( 34) = ( 0.2171053 -0.1253458 0.1772657), wk = 0.0020040 k( 35) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0020040 k( 36) = ( 0.2302632 -0.1329425 0.1880091), wk = 0.0020040 k( 37) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0020040 k( 38) = ( 0.2434210 -0.1405392 0.1987525), wk = 0.0020040 k( 39) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0020040 k( 40) = ( 0.2565789 -0.1481359 0.2094958), wk = 0.0020040 k( 41) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0020040 k( 42) = ( 0.2697368 -0.1557326 0.2202392), wk = 0.0020040 k( 43) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0020040 k( 44) = ( 0.2828947 -0.1633294 0.2309826), wk = 0.0020040 k( 45) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0020040 k( 46) = ( 0.2960526 -0.1709261 0.2417260), wk = 0.0020040 k( 47) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0020040 k( 48) = ( 0.3092105 -0.1785228 0.2524693), wk = 0.0020040 k( 49) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0020040 k( 50) = ( 0.3223684 -0.1861195 0.2632127), wk = 0.0020040 k( 51) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0020040 k( 52) = ( 0.3355263 -0.1937162 0.2739561), wk = 0.0020040 k( 53) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0020040 k( 54) = ( 0.3486842 -0.2013129 0.2846995), wk = 0.0020040 k( 55) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0020040 k( 56) = ( 0.3618421 -0.2089096 0.2954428), wk = 0.0020040 k( 57) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0020040 k( 58) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0020040 k( 59) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0020040 k( 60) = ( 0.3881579 -0.2241031 0.3169296), wk = 0.0020040 k( 61) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0020040 k( 62) = ( 0.4013158 -0.2316998 0.3276730), wk = 0.0020040 k( 63) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0020040 k( 64) = ( 0.4144737 -0.2392965 0.3384163), wk = 0.0020040 k( 65) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0020040 k( 66) = ( 0.4276316 -0.2468932 0.3491597), wk = 0.0020040 k( 67) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0020040 k( 68) = ( 0.4407895 -0.2544899 0.3599031), wk = 0.0020040 k( 69) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0020040 k( 70) = ( 0.4539474 -0.2620866 0.3706465), wk = 0.0020040 k( 71) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0020040 k( 72) = ( 0.4671053 -0.2696833 0.3813898), wk = 0.0020040 k( 73) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0020040 k( 74) = ( 0.4802632 -0.2772801 0.3921332), wk = 0.0020040 k( 75) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0020040 k( 76) = ( 0.4934211 -0.2848768 0.4028766), wk = 0.0020040 k( 77) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 k( 79) = ( 0.5000000 -0.2810784 0.4136200), wk = 0.0020040 k( 80) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0020040 k( 81) = ( 0.5000000 -0.2658850 0.4243634), wk = 0.0020040 k( 82) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0020040 k( 83) = ( 0.5000000 -0.2506916 0.4351067), wk = 0.0020040 k( 84) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0020040 k( 85) = ( 0.5000000 -0.2354981 0.4458501), wk = 0.0020040 k( 86) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0020040 k( 87) = ( 0.5000000 -0.2203047 0.4565935), wk = 0.0020040 k( 88) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0020040 k( 89) = ( 0.5000000 -0.2051113 0.4673369), wk = 0.0020040 k( 90) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0020040 k( 91) = ( 0.5000000 -0.1899178 0.4780802), wk = 0.0020040 k( 92) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0020040 k( 93) = ( 0.5000000 -0.1747244 0.4888236), wk = 0.0020040 k( 94) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0020040 k( 95) = ( 0.5000000 -0.1595310 0.4995670), wk = 0.0020040 k( 96) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0020040 k( 97) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0020040 k( 98) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0020040 k( 99) = ( 0.5000000 -0.1291441 0.5210537), wk = 0.0020040 k( 100) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0020040 k( 101) = ( 0.5000000 -0.1139507 0.5317971), wk = 0.0020040 k( 102) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0020040 k( 103) = ( 0.5000000 -0.0987573 0.5425405), wk = 0.0020040 k( 104) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0020040 k( 105) = ( 0.5000000 -0.0835639 0.5532839), wk = 0.0020040 k( 106) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0020040 k( 107) = ( 0.5000000 -0.0683704 0.5640272), wk = 0.0020040 k( 108) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0020040 k( 109) = ( 0.5000000 -0.0531770 0.5747706), wk = 0.0020040 k( 110) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0020040 k( 111) = ( 0.5000000 -0.0379836 0.5855140), wk = 0.0020040 k( 112) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0020040 k( 113) = ( 0.5000000 -0.0227901 0.5962574), wk = 0.0020040 k( 114) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0020040 k( 115) = ( 0.5000000 -0.0075967 0.6070007), wk = 0.0020040 k( 116) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 117) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 118) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0020040 k( 119) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0020040 k( 120) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0020040 k( 121) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0020040 k( 122) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0020040 k( 123) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0020040 k( 124) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0020040 k( 125) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0020040 k( 126) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0020040 k( 127) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0020040 k( 128) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0020040 k( 129) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0020040 k( 130) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0020040 k( 131) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0020040 k( 132) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0020040 k( 133) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0020040 k( 134) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0020040 k( 135) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0020040 k( 136) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0020040 k( 137) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0020040 k( 138) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0020040 k( 139) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0020040 k( 140) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0020040 k( 141) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0020040 k( 142) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0020040 k( 143) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0020040 k( 144) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 145) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 146) = ( 0.3703125 0.2138000 0.6047178), wk = 0.0020040 k( 147) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0020040 k( 148) = ( 0.3609375 0.2083874 0.5894085), wk = 0.0020040 k( 149) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0020040 k( 150) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0020040 k( 151) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0020040 k( 152) = ( 0.3421875 0.1975620 0.5587898), wk = 0.0020040 k( 153) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0020040 k( 154) = ( 0.3328125 0.1921494 0.5434805), wk = 0.0020040 k( 155) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0020040 k( 156) = ( 0.3234375 0.1867367 0.5281712), wk = 0.0020040 k( 157) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0020040 k( 158) = ( 0.3140625 0.1813241 0.5128619), wk = 0.0020040 k( 159) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0020040 k( 160) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0020040 k( 161) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0020040 k( 162) = ( 0.2953125 0.1704988 0.4822433), wk = 0.0020040 k( 163) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0020040 k( 164) = ( 0.2859375 0.1650861 0.4669340), wk = 0.0020040 k( 165) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0020040 k( 166) = ( 0.2765625 0.1596734 0.4516247), wk = 0.0020040 k( 167) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0020040 k( 168) = ( 0.2671875 0.1542608 0.4363154), wk = 0.0020040 k( 169) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0020040 k( 170) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0020040 k( 171) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0020040 k( 172) = ( 0.2484375 0.1434355 0.4056967), wk = 0.0020040 k( 173) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0020040 k( 174) = ( 0.2390625 0.1380228 0.3903874), wk = 0.0020040 k( 175) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0020040 k( 176) = ( 0.2296875 0.1326101 0.3750781), wk = 0.0020040 k( 177) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0020040 k( 178) = ( 0.2203125 0.1271975 0.3597688), wk = 0.0020040 k( 179) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0020040 k( 180) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0020040 k( 181) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0020040 k( 182) = ( 0.2015625 0.1163722 0.3291502), wk = 0.0020040 k( 183) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0020040 k( 184) = ( 0.1921875 0.1109595 0.3138409), wk = 0.0020040 k( 185) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0020040 k( 186) = ( 0.1828125 0.1055468 0.2985316), wk = 0.0020040 k( 187) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0020040 k( 188) = ( 0.1734375 0.1001342 0.2832223), wk = 0.0020040 k( 189) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0020040 k( 190) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0020040 k( 191) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0020040 k( 192) = ( 0.1546875 0.0893089 0.2526036), wk = 0.0020040 k( 193) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0020040 k( 194) = ( 0.1453125 0.0838962 0.2372943), wk = 0.0020040 k( 195) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0020040 k( 196) = ( 0.1359375 0.0784836 0.2219850), wk = 0.0020040 k( 197) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0020040 k( 198) = ( 0.1265625 0.0730709 0.2066757), wk = 0.0020040 k( 199) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0020040 k( 200) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0020040 k( 201) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0020040 k( 202) = ( 0.1078125 0.0622456 0.1760571), wk = 0.0020040 k( 203) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0020040 k( 204) = ( 0.0984375 0.0568329 0.1607478), wk = 0.0020040 k( 205) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0020040 k( 206) = ( 0.0890625 0.0514203 0.1454385), wk = 0.0020040 k( 207) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0020040 k( 208) = ( 0.0796875 0.0460076 0.1301291), wk = 0.0020040 k( 209) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0020040 k( 210) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0020040 k( 211) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0020040 k( 212) = ( 0.0609375 0.0351823 0.0995105), wk = 0.0020040 k( 213) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0020040 k( 214) = ( 0.0515625 0.0297696 0.0842012), wk = 0.0020040 k( 215) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0020040 k( 216) = ( 0.0421875 0.0243570 0.0688919), wk = 0.0020040 k( 217) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0020040 k( 218) = ( 0.0328125 0.0189443 0.0535826), wk = 0.0020040 k( 219) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0020040 k( 220) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0020040 k( 221) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0020040 k( 222) = ( 0.0140625 0.0081190 0.0229640), wk = 0.0020040 k( 223) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0020040 k( 224) = ( 0.0046875 0.0027063 0.0076547), wk = 0.0020040 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 227) = ( 0.0075758 0.0043739 0.0030928), wk = 0.0020040 k( 228) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0020040 k( 229) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0020040 k( 230) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0020040 k( 231) = ( 0.0378788 0.0218693 0.0154640), wk = 0.0020040 k( 232) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0020040 k( 233) = ( 0.0530303 0.0306171 0.0216495), wk = 0.0020040 k( 234) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0020040 k( 235) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0020040 k( 236) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0020040 k( 237) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0020040 k( 238) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0020040 k( 239) = ( 0.0984848 0.0568603 0.0402063), wk = 0.0020040 k( 240) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0020040 k( 241) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0020040 k( 242) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0020040 k( 243) = ( 0.1287879 0.0743557 0.0525774), wk = 0.0020040 k( 244) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0020040 k( 245) = ( 0.1439394 0.0831034 0.0587630), wk = 0.0020040 k( 246) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0020040 k( 247) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0020040 k( 248) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0020040 k( 249) = ( 0.1742424 0.1005989 0.0711342), wk = 0.0020040 k( 250) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0020040 k( 251) = ( 0.1893939 0.1093466 0.0773198), wk = 0.0020040 k( 252) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0020040 k( 253) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0020040 k( 254) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0020040 k( 255) = ( 0.2196970 0.1268421 0.0896909), wk = 0.0020040 k( 256) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0020040 k( 257) = ( 0.2348485 0.1355898 0.0958765), wk = 0.0020040 k( 258) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0020040 k( 259) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0020040 k( 260) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0020040 k( 261) = ( 0.2651515 0.1530853 0.1082477), wk = 0.0020040 k( 262) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0020040 k( 263) = ( 0.2803030 0.1618330 0.1144332), wk = 0.0020040 k( 264) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0020040 k( 265) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0020040 k( 266) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0020040 k( 267) = ( 0.3106061 0.1793285 0.1268044), wk = 0.0020040 k( 268) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0020040 k( 269) = ( 0.3257576 0.1880762 0.1329900), wk = 0.0020040 k( 270) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0020040 k( 271) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0020040 k( 272) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0020040 k( 273) = ( 0.3560606 0.2055717 0.1453611), wk = 0.0020040 k( 274) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0020040 k( 275) = ( 0.3712121 0.2143194 0.1515467), wk = 0.0020040 k( 276) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0020040 k( 277) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0020040 k( 278) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0020040 k( 279) = ( 0.4015151 0.2318149 0.1639179), wk = 0.0020040 k( 280) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0020040 k( 281) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0020040 k( 282) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0020040 k( 283) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0020040 k( 284) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0020040 k( 285) = ( 0.4469697 0.2580581 0.1824746), wk = 0.0020040 k( 286) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0020040 k( 287) = ( 0.4621212 0.2668058 0.1886602), wk = 0.0020040 k( 288) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0020040 k( 289) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0020040 k( 290) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0020040 k( 291) = ( 0.4924242 0.2843013 0.2010314), wk = 0.0020040 k( 292) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 294) = ( 0.5026596 0.2809976 0.2084672), wk = 0.0020040 k( 295) = ( 0.5053192 0.2733201 0.2128103), wk = 0.0020040 k( 296) = ( 0.5079787 0.2656425 0.2171533), wk = 0.0020040 k( 297) = ( 0.5106383 0.2579650 0.2214964), wk = 0.0020040 k( 298) = ( 0.5132979 0.2502875 0.2258395), wk = 0.0020040 k( 299) = ( 0.5159575 0.2426100 0.2301825), wk = 0.0020040 k( 300) = ( 0.5186170 0.2349324 0.2345256), wk = 0.0020040 k( 301) = ( 0.5212766 0.2272549 0.2388687), wk = 0.0020040 k( 302) = ( 0.5239362 0.2195774 0.2432117), wk = 0.0020040 k( 303) = ( 0.5265957 0.2118998 0.2475548), wk = 0.0020040 k( 304) = ( 0.5292553 0.2042223 0.2518979), wk = 0.0020040 k( 305) = ( 0.5319149 0.1965448 0.2562409), wk = 0.0020040 k( 306) = ( 0.5345745 0.1888672 0.2605840), wk = 0.0020040 k( 307) = ( 0.5372340 0.1811897 0.2649271), wk = 0.0020040 k( 308) = ( 0.5398936 0.1735122 0.2692701), wk = 0.0020040 k( 309) = ( 0.5425532 0.1658347 0.2736132), wk = 0.0020040 k( 310) = ( 0.5452128 0.1581571 0.2779563), wk = 0.0020040 k( 311) = ( 0.5478723 0.1504796 0.2822993), wk = 0.0020040 k( 312) = ( 0.5505319 0.1428021 0.2866424), wk = 0.0020040 k( 313) = ( 0.5531915 0.1351245 0.2909855), wk = 0.0020040 k( 314) = ( 0.5558511 0.1274470 0.2953285), wk = 0.0020040 k( 315) = ( 0.5585106 0.1197695 0.2996716), wk = 0.0020040 k( 316) = ( 0.5611702 0.1120919 0.3040147), wk = 0.0020040 k( 317) = ( 0.5638298 0.1044144 0.3083578), wk = 0.0020040 k( 318) = ( 0.5664894 0.0967369 0.3127008), wk = 0.0020040 k( 319) = ( 0.5691489 0.0890594 0.3170439), wk = 0.0020040 k( 320) = ( 0.5718085 0.0813818 0.3213870), wk = 0.0020040 k( 321) = ( 0.5744681 0.0737043 0.3257300), wk = 0.0020040 k( 322) = ( 0.5771277 0.0660268 0.3300731), wk = 0.0020040 k( 323) = ( 0.5797872 0.0583492 0.3344162), wk = 0.0020040 k( 324) = ( 0.5824468 0.0506717 0.3387592), wk = 0.0020040 k( 325) = ( 0.5851064 0.0429942 0.3431023), wk = 0.0020040 k( 326) = ( 0.5877660 0.0353166 0.3474454), wk = 0.0020040 k( 327) = ( 0.5904255 0.0276391 0.3517884), wk = 0.0020040 k( 328) = ( 0.5930851 0.0199616 0.3561315), wk = 0.0020040 k( 329) = ( 0.5957447 0.0122841 0.3604746), wk = 0.0020040 k( 330) = ( 0.5984043 0.0046065 0.3648176), wk = 0.0020040 k( 331) = ( 0.6010638 -0.0030710 0.3691607), wk = 0.0020040 k( 332) = ( 0.6037234 -0.0107485 0.3735038), wk = 0.0020040 k( 333) = ( 0.6063830 -0.0184261 0.3778468), wk = 0.0020040 k( 334) = ( 0.6090425 -0.0261036 0.3821899), wk = 0.0020040 k( 335) = ( 0.6117021 -0.0337811 0.3865330), wk = 0.0020040 k( 336) = ( 0.6143617 -0.0414587 0.3908760), wk = 0.0020040 k( 337) = ( 0.6170213 -0.0491362 0.3952191), wk = 0.0020040 k( 338) = ( 0.6196808 -0.0568137 0.3995622), wk = 0.0020040 k( 339) = ( 0.6223404 -0.0644913 0.4039052), wk = 0.0020040 k( 340) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 341) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 342) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0020040 k( 343) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0020040 k( 344) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0020040 k( 345) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0020040 k( 346) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0020040 k( 347) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0020040 k( 348) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0020040 k( 349) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0020040 k( 350) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0020040 k( 351) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0020040 k( 352) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0020040 k( 353) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0020040 k( 354) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0020040 k( 355) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0020040 k( 356) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0020040 k( 357) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0020040 k( 358) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0020040 k( 359) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0020040 k( 360) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0020040 k( 361) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0020040 k( 362) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0020040 k( 363) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0020040 k( 364) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0020040 k( 365) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0020040 k( 366) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0020040 k( 367) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0020040 k( 368) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 369) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0020040 k( 370) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0020040 k( 371) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0020040 k( 372) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0020040 k( 373) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0020040 k( 374) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0020040 k( 375) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0020040 k( 376) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0020040 k( 377) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0020040 k( 378) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0020040 k( 379) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0020040 k( 380) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0020040 k( 381) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0020040 k( 382) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0020040 k( 383) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0020040 k( 384) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0020040 k( 385) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0020040 k( 386) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0020040 k( 387) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0020040 k( 388) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0020040 k( 389) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0020040 k( 390) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0020040 k( 391) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0020040 k( 392) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0020040 k( 393) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0020040 k( 394) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0020040 k( 395) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0020040 k( 396) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0020040 k( 397) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0020040 k( 398) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0020040 k( 399) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0020040 k( 400) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0020040 k( 401) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0020040 k( 402) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0020040 k( 403) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0020040 k( 404) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0020040 k( 405) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0020040 k( 406) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0020040 k( 407) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0020040 k( 408) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0020040 k( 409) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0020040 k( 410) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0020040 k( 411) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0020040 k( 412) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0020040 k( 413) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0020040 k( 414) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0020040 k( 415) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0020040 k( 416) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0020040 k( 417) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0020040 k( 418) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0020040 k( 419) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0020040 k( 420) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0020040 k( 421) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0020040 k( 422) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0020040 k( 423) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 424) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0020040 k( 425) = ( 0.4973404 0.2871396 0.2128103), wk = 0.0020040 k( 426) = ( 0.4946809 0.2856041 0.2214964), wk = 0.0020040 k( 427) = ( 0.4920213 0.2840686 0.2301825), wk = 0.0020040 k( 428) = ( 0.4893617 0.2825331 0.2388687), wk = 0.0020040 k( 429) = ( 0.4867021 0.2809976 0.2475548), wk = 0.0020040 k( 430) = ( 0.4840426 0.2794621 0.2562409), wk = 0.0020040 k( 431) = ( 0.4813830 0.2779266 0.2649271), wk = 0.0020040 k( 432) = ( 0.4787234 0.2763911 0.2736132), wk = 0.0020040 k( 433) = ( 0.4760638 0.2748556 0.2822993), wk = 0.0020040 k( 434) = ( 0.4734043 0.2733201 0.2909855), wk = 0.0020040 k( 435) = ( 0.4707447 0.2717846 0.2996716), wk = 0.0020040 k( 436) = ( 0.4680851 0.2702491 0.3083578), wk = 0.0020040 k( 437) = ( 0.4654255 0.2687136 0.3170439), wk = 0.0020040 k( 438) = ( 0.4627660 0.2671781 0.3257300), wk = 0.0020040 k( 439) = ( 0.4601064 0.2656425 0.3344162), wk = 0.0020040 k( 440) = ( 0.4574468 0.2641070 0.3431023), wk = 0.0020040 k( 441) = ( 0.4547872 0.2625715 0.3517884), wk = 0.0020040 k( 442) = ( 0.4521277 0.2610360 0.3604746), wk = 0.0020040 k( 443) = ( 0.4494681 0.2595005 0.3691607), wk = 0.0020040 k( 444) = ( 0.4468085 0.2579650 0.3778468), wk = 0.0020040 k( 445) = ( 0.4441489 0.2564295 0.3865330), wk = 0.0020040 k( 446) = ( 0.4414894 0.2548940 0.3952191), wk = 0.0020040 k( 447) = ( 0.4388298 0.2533585 0.4039052), wk = 0.0020040 k( 448) = ( 0.4361702 0.2518230 0.4125914), wk = 0.0020040 k( 449) = ( 0.4335106 0.2502875 0.4212775), wk = 0.0020040 k( 450) = ( 0.4308511 0.2487520 0.4299636), wk = 0.0020040 k( 451) = ( 0.4281915 0.2472165 0.4386498), wk = 0.0020040 k( 452) = ( 0.4255319 0.2456810 0.4473359), wk = 0.0020040 k( 453) = ( 0.4228723 0.2441455 0.4560220), wk = 0.0020040 k( 454) = ( 0.4202128 0.2426100 0.4647082), wk = 0.0020040 k( 455) = ( 0.4175532 0.2410744 0.4733943), wk = 0.0020040 k( 456) = ( 0.4148936 0.2395389 0.4820804), wk = 0.0020040 k( 457) = ( 0.4122340 0.2380034 0.4907666), wk = 0.0020040 k( 458) = ( 0.4095745 0.2364679 0.4994527), wk = 0.0020040 k( 459) = ( 0.4069149 0.2349324 0.5081388), wk = 0.0020040 k( 460) = ( 0.4042553 0.2333969 0.5168250), wk = 0.0020040 k( 461) = ( 0.4015957 0.2318614 0.5255111), wk = 0.0020040 k( 462) = ( 0.3989362 0.2303259 0.5341972), wk = 0.0020040 k( 463) = ( 0.3962766 0.2287904 0.5428834), wk = 0.0020040 k( 464) = ( 0.3936170 0.2272549 0.5515695), wk = 0.0020040 k( 465) = ( 0.3909574 0.2257194 0.5602556), wk = 0.0020040 k( 466) = ( 0.3882979 0.2241839 0.5689418), wk = 0.0020040 k( 467) = ( 0.3856383 0.2226484 0.5776279), wk = 0.0020040 k( 468) = ( 0.3829787 0.2211129 0.5863140), wk = 0.0020040 k( 469) = ( 0.3803191 0.2195774 0.5950002), wk = 0.0020040 k( 470) = ( 0.3776596 0.2180419 0.6036863), wk = 0.0020040 k( 471) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0020040 k( 472) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0020040 k( 473) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0020040 k( 474) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0020040 k( 475) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0020040 k( 476) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0020040 k( 477) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0020040 k( 478) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0020040 k( 479) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0020040 k( 480) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0020040 k( 481) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0020040 k( 482) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0020040 k( 483) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0020040 k( 484) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0020040 k( 485) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0020040 k( 486) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0020040 k( 487) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0020040 k( 488) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0020040 k( 489) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0020040 k( 490) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0020040 k( 491) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0020040 k( 492) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0020040 k( 493) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0020040 k( 494) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0020040 k( 495) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0020040 k( 496) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0020040 k( 497) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0020040 k( 498) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0020040 k( 499) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0020040 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 2) = ( 0.0065790 -0.0000000 0.0065789), wk = 0.0020040 k( 3) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0020040 k( 4) = ( 0.0197368 -0.0000000 0.0197368), wk = 0.0020040 k( 5) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0020040 k( 6) = ( 0.0328947 -0.0000000 0.0328947), wk = 0.0020040 k( 7) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0020040 k( 8) = ( 0.0460526 -0.0000000 0.0460526), wk = 0.0020040 k( 9) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0020040 k( 10) = ( 0.0592105 -0.0000000 0.0592105), wk = 0.0020040 k( 11) = ( 0.0657895 0.0000000 0.0657895), wk = 0.0020040 k( 12) = ( 0.0723684 0.0000000 0.0723684), wk = 0.0020040 k( 13) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0020040 k( 14) = ( 0.0855263 -0.0000000 0.0855263), wk = 0.0020040 k( 15) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0020040 k( 16) = ( 0.0986842 -0.0000000 0.0986842), wk = 0.0020040 k( 17) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0020040 k( 18) = ( 0.1118421 -0.0000000 0.1118421), wk = 0.0020040 k( 19) = ( 0.1184210 -0.0000000 0.1184210), wk = 0.0020040 k( 20) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0020040 k( 21) = ( 0.1315790 0.0000000 0.1315789), wk = 0.0020040 k( 22) = ( 0.1381579 -0.0000000 0.1381579), wk = 0.0020040 k( 23) = ( 0.1447368 0.0000000 0.1447368), wk = 0.0020040 k( 24) = ( 0.1513158 0.0000000 0.1513158), wk = 0.0020040 k( 25) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0020040 k( 26) = ( 0.1644737 -0.0000000 0.1644737), wk = 0.0020040 k( 27) = ( 0.1710526 -0.0000000 0.1710526), wk = 0.0020040 k( 28) = ( 0.1776316 0.0000000 0.1776316), wk = 0.0020040 k( 29) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0020040 k( 30) = ( 0.1907895 -0.0000000 0.1907895), wk = 0.0020040 k( 31) = ( 0.1973684 -0.0000000 0.1973684), wk = 0.0020040 k( 32) = ( 0.2039474 -0.0000000 0.2039474), wk = 0.0020040 k( 33) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0020040 k( 34) = ( 0.2171053 -0.0000000 0.2171053), wk = 0.0020040 k( 35) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0020040 k( 36) = ( 0.2302632 -0.0000000 0.2302632), wk = 0.0020040 k( 37) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0020040 k( 38) = ( 0.2434210 -0.0000000 0.2434210), wk = 0.0020040 k( 39) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0020040 k( 40) = ( 0.2565789 0.0000000 0.2565789), wk = 0.0020040 k( 41) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0020040 k( 42) = ( 0.2697368 -0.0000000 0.2697368), wk = 0.0020040 k( 43) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0020040 k( 44) = ( 0.2828947 0.0000000 0.2828947), wk = 0.0020040 k( 45) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0020040 k( 46) = ( 0.2960526 -0.0000000 0.2960526), wk = 0.0020040 k( 47) = ( 0.3026316 0.0000000 0.3026316), wk = 0.0020040 k( 48) = ( 0.3092105 0.0000000 0.3092105), wk = 0.0020040 k( 49) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0020040 k( 50) = ( 0.3223684 -0.0000000 0.3223684), wk = 0.0020040 k( 51) = ( 0.3289474 0.0000000 0.3289474), wk = 0.0020040 k( 52) = ( 0.3355263 -0.0000000 0.3355263), wk = 0.0020040 k( 53) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0020040 k( 54) = ( 0.3486842 -0.0000000 0.3486842), wk = 0.0020040 k( 55) = ( 0.3552632 0.0000000 0.3552632), wk = 0.0020040 k( 56) = ( 0.3618421 -0.0000000 0.3618421), wk = 0.0020040 k( 57) = ( 0.3684211 -0.0000000 0.3684210), wk = 0.0020040 k( 58) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0020040 k( 59) = ( 0.3815789 -0.0000000 0.3815789), wk = 0.0020040 k( 60) = ( 0.3881579 -0.0000000 0.3881579), wk = 0.0020040 k( 61) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0020040 k( 62) = ( 0.4013158 -0.0000000 0.4013158), wk = 0.0020040 k( 63) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0020040 k( 64) = ( 0.4144737 -0.0000000 0.4144737), wk = 0.0020040 k( 65) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0020040 k( 66) = ( 0.4276316 -0.0000000 0.4276316), wk = 0.0020040 k( 67) = ( 0.4342105 -0.0000000 0.4342105), wk = 0.0020040 k( 68) = ( 0.4407895 -0.0000000 0.4407895), wk = 0.0020040 k( 69) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0020040 k( 70) = ( 0.4539474 -0.0000000 0.4539474), wk = 0.0020040 k( 71) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0020040 k( 72) = ( 0.4671053 -0.0000000 0.4671053), wk = 0.0020040 k( 73) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0020040 k( 74) = ( 0.4802632 -0.0000000 0.4802632), wk = 0.0020040 k( 75) = ( 0.4868421 -0.0000000 0.4868421), wk = 0.0020040 k( 76) = ( 0.4934211 -0.0000000 0.4934210), wk = 0.0020040 k( 77) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 k( 79) = ( 0.5000000 0.0065790 0.5065789), wk = 0.0020040 k( 80) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0020040 k( 81) = ( 0.5000000 0.0197368 0.5197368), wk = 0.0020040 k( 82) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0020040 k( 83) = ( 0.5000000 0.0328947 0.5328947), wk = 0.0020040 k( 84) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0020040 k( 85) = ( 0.5000000 0.0460526 0.5460526), wk = 0.0020040 k( 86) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0020040 k( 87) = ( 0.5000000 0.0592105 0.5592105), wk = 0.0020040 k( 88) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0020040 k( 89) = ( 0.5000000 0.0723684 0.5723684), wk = 0.0020040 k( 90) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0020040 k( 91) = ( 0.5000000 0.0855263 0.5855263), wk = 0.0020040 k( 92) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0020040 k( 93) = ( 0.5000000 0.0986842 0.5986842), wk = 0.0020040 k( 94) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0020040 k( 95) = ( 0.5000000 0.1118421 0.6118421), wk = 0.0020040 k( 96) = ( 0.5000000 0.1184210 0.6184210), wk = 0.0020040 k( 97) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0020040 k( 98) = ( 0.5000000 0.1315789 0.6315789), wk = 0.0020040 k( 99) = ( 0.5000000 0.1381579 0.6381579), wk = 0.0020040 k( 100) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0020040 k( 101) = ( 0.5000000 0.1513158 0.6513158), wk = 0.0020040 k( 102) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0020040 k( 103) = ( 0.5000000 0.1644737 0.6644737), wk = 0.0020040 k( 104) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0020040 k( 105) = ( 0.5000000 0.1776316 0.6776316), wk = 0.0020040 k( 106) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0020040 k( 107) = ( 0.5000000 0.1907895 0.6907895), wk = 0.0020040 k( 108) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0020040 k( 109) = ( 0.5000000 0.2039474 0.7039474), wk = 0.0020040 k( 110) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0020040 k( 111) = ( 0.5000000 0.2171053 0.7171053), wk = 0.0020040 k( 112) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0020040 k( 113) = ( 0.5000000 0.2302632 0.7302632), wk = 0.0020040 k( 114) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0020040 k( 115) = ( 0.5000000 0.2434210 0.7434210), wk = 0.0020040 k( 116) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 117) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 118) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0020040 k( 119) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0020040 k( 120) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0020040 k( 121) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0020040 k( 122) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0020040 k( 123) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0020040 k( 124) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0020040 k( 125) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0020040 k( 126) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0020040 k( 127) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0020040 k( 128) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0020040 k( 129) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0020040 k( 130) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0020040 k( 131) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0020040 k( 132) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0020040 k( 133) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0020040 k( 134) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0020040 k( 135) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0020040 k( 136) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0020040 k( 137) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0020040 k( 138) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0020040 k( 139) = ( 0.3981481 0.3518518 0.7500000), wk = 0.0020040 k( 140) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0020040 k( 141) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0020040 k( 142) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0020040 k( 143) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0020040 k( 144) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 145) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 146) = ( 0.3703125 0.3703125 0.7406250), wk = 0.0020040 k( 147) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0020040 k( 148) = ( 0.3609375 0.3609375 0.7218750), wk = 0.0020040 k( 149) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0020040 k( 150) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0020040 k( 151) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0020040 k( 152) = ( 0.3421875 0.3421875 0.6843750), wk = 0.0020040 k( 153) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0020040 k( 154) = ( 0.3328125 0.3328125 0.6656250), wk = 0.0020040 k( 155) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0020040 k( 156) = ( 0.3234375 0.3234375 0.6468750), wk = 0.0020040 k( 157) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0020040 k( 158) = ( 0.3140625 0.3140625 0.6281250), wk = 0.0020040 k( 159) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0020040 k( 160) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0020040 k( 161) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0020040 k( 162) = ( 0.2953125 0.2953125 0.5906250), wk = 0.0020040 k( 163) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0020040 k( 164) = ( 0.2859375 0.2859375 0.5718750), wk = 0.0020040 k( 165) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0020040 k( 166) = ( 0.2765625 0.2765625 0.5531250), wk = 0.0020040 k( 167) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0020040 k( 168) = ( 0.2671875 0.2671875 0.5343750), wk = 0.0020040 k( 169) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0020040 k( 170) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0020040 k( 171) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0020040 k( 172) = ( 0.2484375 0.2484375 0.4968750), wk = 0.0020040 k( 173) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0020040 k( 174) = ( 0.2390625 0.2390625 0.4781250), wk = 0.0020040 k( 175) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0020040 k( 176) = ( 0.2296875 0.2296875 0.4593750), wk = 0.0020040 k( 177) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0020040 k( 178) = ( 0.2203125 0.2203125 0.4406250), wk = 0.0020040 k( 179) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0020040 k( 180) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0020040 k( 181) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0020040 k( 182) = ( 0.2015625 0.2015625 0.4031250), wk = 0.0020040 k( 183) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0020040 k( 184) = ( 0.1921875 0.1921875 0.3843750), wk = 0.0020040 k( 185) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0020040 k( 186) = ( 0.1828125 0.1828125 0.3656250), wk = 0.0020040 k( 187) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0020040 k( 188) = ( 0.1734375 0.1734375 0.3468750), wk = 0.0020040 k( 189) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0020040 k( 190) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0020040 k( 191) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0020040 k( 192) = ( 0.1546875 0.1546875 0.3093750), wk = 0.0020040 k( 193) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0020040 k( 194) = ( 0.1453125 0.1453125 0.2906250), wk = 0.0020040 k( 195) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0020040 k( 196) = ( 0.1359375 0.1359375 0.2718750), wk = 0.0020040 k( 197) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0020040 k( 198) = ( 0.1265625 0.1265625 0.2531250), wk = 0.0020040 k( 199) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0020040 k( 200) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0020040 k( 201) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0020040 k( 202) = ( 0.1078125 0.1078125 0.2156250), wk = 0.0020040 k( 203) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0020040 k( 204) = ( 0.0984375 0.0984375 0.1968750), wk = 0.0020040 k( 205) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0020040 k( 206) = ( 0.0890625 0.0890625 0.1781250), wk = 0.0020040 k( 207) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0020040 k( 208) = ( 0.0796875 0.0796875 0.1593750), wk = 0.0020040 k( 209) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0020040 k( 210) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0020040 k( 211) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0020040 k( 212) = ( 0.0609375 0.0609375 0.1218750), wk = 0.0020040 k( 213) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0020040 k( 214) = ( 0.0515625 0.0515625 0.1031250), wk = 0.0020040 k( 215) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0020040 k( 216) = ( 0.0421875 0.0421875 0.0843750), wk = 0.0020040 k( 217) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0020040 k( 218) = ( 0.0328125 0.0328125 0.0656250), wk = 0.0020040 k( 219) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0020040 k( 220) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0020040 k( 221) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0020040 k( 222) = ( 0.0140625 0.0140625 0.0281250), wk = 0.0020040 k( 223) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0020040 k( 224) = ( 0.0046875 0.0046875 0.0093750), wk = 0.0020040 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020040 k( 227) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0020040 k( 228) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0020040 k( 229) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0020040 k( 230) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0020040 k( 231) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0020040 k( 232) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0020040 k( 233) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0020040 k( 234) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0020040 k( 235) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0020040 k( 236) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0020040 k( 237) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0020040 k( 238) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0020040 k( 239) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0020040 k( 240) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0020040 k( 241) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0020040 k( 242) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0020040 k( 243) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0020040 k( 244) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0020040 k( 245) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0020040 k( 246) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0020040 k( 247) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0020040 k( 248) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0020040 k( 249) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0020040 k( 250) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0020040 k( 251) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0020040 k( 252) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0020040 k( 253) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0020040 k( 254) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0020040 k( 255) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0020040 k( 256) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0020040 k( 257) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0020040 k( 258) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0020040 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020040 k( 260) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0020040 k( 261) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0020040 k( 262) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0020040 k( 263) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0020040 k( 264) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0020040 k( 265) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0020040 k( 266) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0020040 k( 267) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0020040 k( 268) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0020040 k( 269) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0020040 k( 270) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020040 k( 271) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0020040 k( 272) = ( 0.3484849 0.3484848 0.3484848), wk = 0.0020040 k( 273) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0020040 k( 274) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0020040 k( 275) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0020040 k( 276) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0020040 k( 277) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0020040 k( 278) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0020040 k( 279) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0020040 k( 280) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0020040 k( 281) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0020040 k( 282) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0020040 k( 283) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0020040 k( 284) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0020040 k( 285) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0020040 k( 286) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0020040 k( 287) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0020040 k( 288) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0020040 k( 289) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0020040 k( 290) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0020040 k( 291) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0020040 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 294) = ( 0.5026596 0.4946808 0.5026596), wk = 0.0020040 k( 295) = ( 0.5053192 0.4893617 0.5053191), wk = 0.0020040 k( 296) = ( 0.5079787 0.4840425 0.5079787), wk = 0.0020040 k( 297) = ( 0.5106383 0.4787234 0.5106383), wk = 0.0020040 k( 298) = ( 0.5132979 0.4734043 0.5132979), wk = 0.0020040 k( 299) = ( 0.5159575 0.4680851 0.5159574), wk = 0.0020040 k( 300) = ( 0.5186170 0.4627660 0.5186170), wk = 0.0020040 k( 301) = ( 0.5212766 0.4574468 0.5212766), wk = 0.0020040 k( 302) = ( 0.5239362 0.4521277 0.5239362), wk = 0.0020040 k( 303) = ( 0.5265957 0.4468085 0.5265957), wk = 0.0020040 k( 304) = ( 0.5292553 0.4414894 0.5292553), wk = 0.0020040 k( 305) = ( 0.5319149 0.4361702 0.5319149), wk = 0.0020040 k( 306) = ( 0.5345745 0.4308511 0.5345745), wk = 0.0020040 k( 307) = ( 0.5372340 0.4255319 0.5372340), wk = 0.0020040 k( 308) = ( 0.5398936 0.4202128 0.5398936), wk = 0.0020040 k( 309) = ( 0.5425532 0.4148936 0.5425532), wk = 0.0020040 k( 310) = ( 0.5452128 0.4095745 0.5452128), wk = 0.0020040 k( 311) = ( 0.5478723 0.4042553 0.5478723), wk = 0.0020040 k( 312) = ( 0.5505319 0.3989362 0.5505319), wk = 0.0020040 k( 313) = ( 0.5531915 0.3936170 0.5531915), wk = 0.0020040 k( 314) = ( 0.5558511 0.3882979 0.5558511), wk = 0.0020040 k( 315) = ( 0.5585106 0.3829787 0.5585106), wk = 0.0020040 k( 316) = ( 0.5611702 0.3776596 0.5611702), wk = 0.0020040 k( 317) = ( 0.5638298 0.3723404 0.5638298), wk = 0.0020040 k( 318) = ( 0.5664894 0.3670213 0.5664894), wk = 0.0020040 k( 319) = ( 0.5691489 0.3617021 0.5691489), wk = 0.0020040 k( 320) = ( 0.5718085 0.3563830 0.5718085), wk = 0.0020040 k( 321) = ( 0.5744681 0.3510638 0.5744681), wk = 0.0020040 k( 322) = ( 0.5771277 0.3457447 0.5771277), wk = 0.0020040 k( 323) = ( 0.5797872 0.3404255 0.5797872), wk = 0.0020040 k( 324) = ( 0.5824468 0.3351064 0.5824468), wk = 0.0020040 k( 325) = ( 0.5851064 0.3297872 0.5851064), wk = 0.0020040 k( 326) = ( 0.5877660 0.3244681 0.5877660), wk = 0.0020040 k( 327) = ( 0.5904255 0.3191489 0.5904255), wk = 0.0020040 k( 328) = ( 0.5930851 0.3138298 0.5930851), wk = 0.0020040 k( 329) = ( 0.5957447 0.3085106 0.5957447), wk = 0.0020040 k( 330) = ( 0.5984043 0.3031915 0.5984043), wk = 0.0020040 k( 331) = ( 0.6010638 0.2978723 0.6010638), wk = 0.0020040 k( 332) = ( 0.6037234 0.2925532 0.6037234), wk = 0.0020040 k( 333) = ( 0.6063830 0.2872340 0.6063830), wk = 0.0020040 k( 334) = ( 0.6090425 0.2819149 0.6090425), wk = 0.0020040 k( 335) = ( 0.6117021 0.2765957 0.6117021), wk = 0.0020040 k( 336) = ( 0.6143617 0.2712766 0.6143617), wk = 0.0020040 k( 337) = ( 0.6170213 0.2659574 0.6170213), wk = 0.0020040 k( 338) = ( 0.6196808 0.2606383 0.6196808), wk = 0.0020040 k( 339) = ( 0.6223404 0.2553191 0.6223404), wk = 0.0020040 k( 340) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 341) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 342) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0020040 k( 343) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0020040 k( 344) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0020040 k( 345) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0020040 k( 346) = ( 0.6018518 0.2500000 0.6481481), wk = 0.0020040 k( 347) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0020040 k( 348) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0020040 k( 349) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0020040 k( 350) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0020040 k( 351) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0020040 k( 352) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0020040 k( 353) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0020040 k( 354) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0020040 k( 355) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0020040 k( 356) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0020040 k( 357) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0020040 k( 358) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0020040 k( 359) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0020040 k( 360) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0020040 k( 361) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0020040 k( 362) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0020040 k( 363) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0020040 k( 364) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0020040 k( 365) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0020040 k( 366) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0020040 k( 367) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0020040 k( 368) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 369) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0020040 k( 370) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0020040 k( 371) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0020040 k( 372) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0020040 k( 373) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0020040 k( 374) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0020040 k( 375) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0020040 k( 376) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0020040 k( 377) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0020040 k( 378) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0020040 k( 379) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0020040 k( 380) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0020040 k( 381) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0020040 k( 382) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0020040 k( 383) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0020040 k( 384) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0020040 k( 385) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0020040 k( 386) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0020040 k( 387) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0020040 k( 388) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0020040 k( 389) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0020040 k( 390) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0020040 k( 391) = ( 0.5000000 0.3518518 0.6481481), wk = 0.0020040 k( 392) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0020040 k( 393) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0020040 k( 394) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0020040 k( 395) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0020040 k( 396) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0020040 k( 397) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0020040 k( 398) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0020040 k( 399) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0020040 k( 400) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0020040 k( 401) = ( 0.5000000 0.3981481 0.6018518), wk = 0.0020040 k( 402) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0020040 k( 403) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0020040 k( 404) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0020040 k( 405) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0020040 k( 406) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0020040 k( 407) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0020040 k( 408) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0020040 k( 409) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0020040 k( 410) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0020040 k( 411) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0020040 k( 412) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0020040 k( 413) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0020040 k( 414) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0020040 k( 415) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0020040 k( 416) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0020040 k( 417) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0020040 k( 418) = ( 0.5000000 0.4768518 0.5231481), wk = 0.0020040 k( 419) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0020040 k( 420) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0020040 k( 421) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0020040 k( 422) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0020040 k( 423) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020040 k( 425) = ( 0.4973404 0.4973404 0.5053191), wk = 0.0020040 k( 426) = ( 0.4946809 0.4946808 0.5106383), wk = 0.0020040 k( 427) = ( 0.4920213 0.4920213 0.5159574), wk = 0.0020040 k( 428) = ( 0.4893617 0.4893617 0.5212766), wk = 0.0020040 k( 429) = ( 0.4867021 0.4867021 0.5265957), wk = 0.0020040 k( 430) = ( 0.4840426 0.4840425 0.5319149), wk = 0.0020040 k( 431) = ( 0.4813830 0.4813830 0.5372340), wk = 0.0020040 k( 432) = ( 0.4787234 0.4787234 0.5425532), wk = 0.0020040 k( 433) = ( 0.4760638 0.4760638 0.5478723), wk = 0.0020040 k( 434) = ( 0.4734043 0.4734043 0.5531915), wk = 0.0020040 k( 435) = ( 0.4707447 0.4707447 0.5585106), wk = 0.0020040 k( 436) = ( 0.4680851 0.4680851 0.5638298), wk = 0.0020040 k( 437) = ( 0.4654255 0.4654255 0.5691489), wk = 0.0020040 k( 438) = ( 0.4627660 0.4627660 0.5744681), wk = 0.0020040 k( 439) = ( 0.4601064 0.4601064 0.5797872), wk = 0.0020040 k( 440) = ( 0.4574468 0.4574468 0.5851064), wk = 0.0020040 k( 441) = ( 0.4547872 0.4547872 0.5904255), wk = 0.0020040 k( 442) = ( 0.4521277 0.4521277 0.5957447), wk = 0.0020040 k( 443) = ( 0.4494681 0.4494681 0.6010638), wk = 0.0020040 k( 444) = ( 0.4468085 0.4468085 0.6063830), wk = 0.0020040 k( 445) = ( 0.4441489 0.4441489 0.6117021), wk = 0.0020040 k( 446) = ( 0.4414894 0.4414894 0.6170213), wk = 0.0020040 k( 447) = ( 0.4388298 0.4388298 0.6223404), wk = 0.0020040 k( 448) = ( 0.4361702 0.4361702 0.6276596), wk = 0.0020040 k( 449) = ( 0.4335106 0.4335106 0.6329787), wk = 0.0020040 k( 450) = ( 0.4308511 0.4308511 0.6382979), wk = 0.0020040 k( 451) = ( 0.4281915 0.4281915 0.6436170), wk = 0.0020040 k( 452) = ( 0.4255319 0.4255319 0.6489362), wk = 0.0020040 k( 453) = ( 0.4228723 0.4228723 0.6542553), wk = 0.0020040 k( 454) = ( 0.4202128 0.4202128 0.6595745), wk = 0.0020040 k( 455) = ( 0.4175532 0.4175532 0.6648936), wk = 0.0020040 k( 456) = ( 0.4148936 0.4148936 0.6702128), wk = 0.0020040 k( 457) = ( 0.4122340 0.4122340 0.6755319), wk = 0.0020040 k( 458) = ( 0.4095745 0.4095745 0.6808511), wk = 0.0020040 k( 459) = ( 0.4069149 0.4069149 0.6861702), wk = 0.0020040 k( 460) = ( 0.4042553 0.4042553 0.6914894), wk = 0.0020040 k( 461) = ( 0.4015957 0.4015957 0.6968085), wk = 0.0020040 k( 462) = ( 0.3989362 0.3989362 0.7021277), wk = 0.0020040 k( 463) = ( 0.3962766 0.3962766 0.7074468), wk = 0.0020040 k( 464) = ( 0.3936170 0.3936170 0.7127660), wk = 0.0020040 k( 465) = ( 0.3909574 0.3909574 0.7180851), wk = 0.0020040 k( 466) = ( 0.3882979 0.3882979 0.7234043), wk = 0.0020040 k( 467) = ( 0.3856383 0.3856383 0.7287234), wk = 0.0020040 k( 468) = ( 0.3829787 0.3829787 0.7340425), wk = 0.0020040 k( 469) = ( 0.3803191 0.3803191 0.7393617), wk = 0.0020040 k( 470) = ( 0.3776596 0.3776596 0.7446808), wk = 0.0020040 k( 471) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0020040 k( 472) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0020040 k( 473) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0020040 k( 474) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0020040 k( 475) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0020040 k( 476) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0020040 k( 477) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0020040 k( 478) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0020040 k( 479) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0020040 k( 480) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0020040 k( 481) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0020040 k( 482) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0020040 k( 483) = ( 0.5740741 0.1481481 0.5740741), wk = 0.0020040 k( 484) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0020040 k( 485) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0020040 k( 486) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0020040 k( 487) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0020040 k( 488) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0020040 k( 489) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0020040 k( 490) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0020040 k( 491) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0020040 k( 492) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0020040 k( 493) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0020040 k( 494) = ( 0.5231482 0.0462963 0.5231481), wk = 0.0020040 k( 495) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0020040 k( 496) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0020040 k( 497) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0020040 k( 498) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0020040 k( 499) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020040 Dense grid: 2637 G-vectors FFT dimensions: ( 20, 20, 20) Smooth grid: 1459 G-vectors FFT dimensions: ( 15, 15, 15) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.00 Mb ( 14, 12) NL pseudopotentials 0.00 Mb ( 7, 14) Each V/rho on FFT grid 0.01 Mb ( 400) Each G-vector array 0.00 Mb ( 74) G-vector shells 0.00 Mb ( 41) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.01 Mb ( 14, 48) Each subspace H/S matrix 0.00 Mb ( 12, 12) Each matrix 0.01 Mb ( 14, 2, 12) The potential is recalculated from file : ./Ge.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.0 secs Computing kpt #: 3 total cpu time spent up to now is 1.0 secs Computing kpt #: 4 total cpu time spent up to now is 1.1 secs Computing kpt #: 5 total cpu time spent up to now is 1.1 secs Computing kpt #: 6 total cpu time spent up to now is 1.2 secs Computing kpt #: 7 total cpu time spent up to now is 1.2 secs Computing kpt #: 8 total cpu time spent up to now is 1.3 secs Computing kpt #: 9 total cpu time spent up to now is 1.3 secs Computing kpt #: 10 total cpu time spent up to now is 1.3 secs Computing kpt #: 11 total cpu time spent up to now is 1.4 secs Computing kpt #: 12 total cpu time spent up to now is 1.4 secs Computing kpt #: 13 total cpu time spent up to now is 1.5 secs Computing kpt #: 14 total cpu time spent up to now is 1.5 secs Computing kpt #: 15 total cpu time spent up to now is 1.6 secs Computing kpt #: 16 total cpu time spent up to now is 1.6 secs Computing kpt #: 17 total cpu time spent up to now is 1.7 secs Computing kpt #: 18 total cpu time spent up to now is 1.7 secs Computing kpt #: 19 total cpu time spent up to now is 1.8 secs Computing kpt #: 20 total cpu time spent up to now is 1.8 secs Computing kpt #: 21 total cpu time spent up to now is 1.8 secs Computing kpt #: 22 total cpu time spent up to now is 1.9 secs Computing kpt #: 23 total cpu time spent up to now is 1.9 secs Computing kpt #: 24 total cpu time spent up to now is 1.9 secs Computing kpt #: 25 total cpu time spent up to now is 2.0 secs Computing kpt #: 26 total cpu time spent up to now is 2.0 secs Computing kpt #: 27 total cpu time spent up to now is 2.0 secs Computing kpt #: 28 total cpu time spent up to now is 2.0 secs Computing kpt #: 29 total cpu time spent up to now is 2.1 secs Computing kpt #: 30 total cpu time spent up to now is 2.1 secs Computing kpt #: 31 total cpu time spent up to now is 2.1 secs Computing kpt #: 32 total cpu time spent up to now is 2.2 secs Computing kpt #: 33 total cpu time spent up to now is 2.2 secs Computing kpt #: 34 total cpu time spent up to now is 2.2 secs Computing kpt #: 35 total cpu time spent up to now is 2.2 secs Computing kpt #: 36 total cpu time spent up to now is 2.3 secs Computing kpt #: 37 total cpu time spent up to now is 2.3 secs Computing kpt #: 38 total cpu time spent up to now is 2.3 secs Computing kpt #: 39 total cpu time spent up to now is 2.3 secs Computing kpt #: 40 total cpu time spent up to now is 2.4 secs Computing kpt #: 41 total cpu time spent up to now is 2.4 secs Computing kpt #: 42 total cpu time spent up to now is 2.4 secs Computing kpt #: 43 total cpu time spent up to now is 2.4 secs Computing kpt #: 44 total cpu time spent up to now is 2.4 secs Computing kpt #: 45 total cpu time spent up to now is 2.5 secs Computing kpt #: 46 total cpu time spent up to now is 2.5 secs Computing kpt #: 47 total cpu time spent up to now is 2.5 secs Computing kpt #: 48 total cpu time spent up to now is 2.5 secs Computing kpt #: 49 total cpu time spent up to now is 2.5 secs Computing kpt #: 50 total cpu time spent up to now is 2.6 secs Computing kpt #: 51 total cpu time spent up to now is 2.6 secs Computing kpt #: 52 total cpu time spent up to now is 2.6 secs Computing kpt #: 53 total cpu time spent up to now is 2.6 secs Computing kpt #: 54 total cpu time spent up to now is 2.7 secs Computing kpt #: 55 total cpu time spent up to now is 2.7 secs Computing kpt #: 56 total cpu time spent up to now is 2.7 secs Computing kpt #: 57 total cpu time spent up to now is 2.7 secs Computing kpt #: 58 total cpu time spent up to now is 2.7 secs Computing kpt #: 59 total cpu time spent up to now is 2.8 secs Computing kpt #: 60 total cpu time spent up to now is 2.8 secs Computing kpt #: 61 total cpu time spent up to now is 2.8 secs Computing kpt #: 62 total cpu time spent up to now is 2.8 secs Computing kpt #: 63 total cpu time spent up to now is 2.8 secs Computing kpt #: 64 total cpu time spent up to now is 2.9 secs Computing kpt #: 65 total cpu time spent up to now is 2.9 secs Computing kpt #: 66 total cpu time spent up to now is 2.9 secs Computing kpt #: 67 total cpu time spent up to now is 2.9 secs Computing kpt #: 68 total cpu time spent up to now is 2.9 secs Computing kpt #: 69 total cpu time spent up to now is 3.0 secs Computing kpt #: 70 total cpu time spent up to now is 3.0 secs Computing kpt #: 71 total cpu time spent up to now is 3.0 secs Computing kpt #: 72 total cpu time spent up to now is 3.0 secs Computing kpt #: 73 total cpu time spent up to now is 3.1 secs Computing kpt #: 74 total cpu time spent up to now is 3.1 secs Computing kpt #: 75 total cpu time spent up to now is 3.1 secs Computing kpt #: 76 total cpu time spent up to now is 3.1 secs Computing kpt #: 77 total cpu time spent up to now is 3.1 secs Computing kpt #: 78 total cpu time spent up to now is 3.2 secs Computing kpt #: 79 total cpu time spent up to now is 3.2 secs Computing kpt #: 80 total cpu time spent up to now is 3.2 secs Computing kpt #: 81 total cpu time spent up to now is 3.2 secs Computing kpt #: 82 total cpu time spent up to now is 3.2 secs Computing kpt #: 83 total cpu time spent up to now is 3.3 secs Computing kpt #: 84 total cpu time spent up to now is 3.3 secs Computing kpt #: 85 total cpu time spent up to now is 3.3 secs Computing kpt #: 86 total cpu time spent up to now is 3.3 secs Computing kpt #: 87 total cpu time spent up to now is 3.3 secs Computing kpt #: 88 total cpu time spent up to now is 3.4 secs Computing kpt #: 89 total cpu time spent up to now is 3.4 secs Computing kpt #: 90 total cpu time spent up to now is 3.4 secs Computing kpt #: 91 total cpu time spent up to now is 3.4 secs Computing kpt #: 92 total cpu time spent up to now is 3.4 secs Computing kpt #: 93 total cpu time spent up to now is 3.5 secs Computing kpt #: 94 total cpu time spent up to now is 3.5 secs Computing kpt #: 95 total cpu time spent up to now is 3.5 secs Computing kpt #: 96 total cpu time spent up to now is 3.5 secs Computing kpt #: 97 total cpu time spent up to now is 3.5 secs Computing kpt #: 98 total cpu time spent up to now is 3.6 secs Computing kpt #: 99 total cpu time spent up to now is 3.6 secs Computing kpt #: 100 total cpu time spent up to now is 3.6 secs Computing kpt #: 101 total cpu time spent up to now is 3.6 secs Computing kpt #: 102 total cpu time spent up to now is 3.7 secs Computing kpt #: 103 total cpu time spent up to now is 3.7 secs Computing kpt #: 104 total cpu time spent up to now is 3.7 secs Computing kpt #: 105 total cpu time spent up to now is 3.7 secs Computing kpt #: 106 total cpu time spent up to now is 3.7 secs Computing kpt #: 107 total cpu time spent up to now is 3.8 secs Computing kpt #: 108 total cpu time spent up to now is 3.8 secs Computing kpt #: 109 total cpu time spent up to now is 3.8 secs Computing kpt #: 110 total cpu time spent up to now is 3.8 secs Computing kpt #: 111 total cpu time spent up to now is 3.9 secs Computing kpt #: 112 total cpu time spent up to now is 3.9 secs Computing kpt #: 113 total cpu time spent up to now is 3.9 secs Computing kpt #: 114 total cpu time spent up to now is 3.9 secs Computing kpt #: 115 total cpu time spent up to now is 4.0 secs Computing kpt #: 116 total cpu time spent up to now is 4.0 secs Computing kpt #: 117 total cpu time spent up to now is 4.1 secs Computing kpt #: 118 total cpu time spent up to now is 4.1 secs Computing kpt #: 119 total cpu time spent up to now is 4.1 secs Computing kpt #: 120 total cpu time spent up to now is 4.1 secs Computing kpt #: 121 total cpu time spent up to now is 4.2 secs Computing kpt #: 122 total cpu time spent up to now is 4.2 secs Computing kpt #: 123 total cpu time spent up to now is 4.2 secs Computing kpt #: 124 total cpu time spent up to now is 4.2 secs Computing kpt #: 125 total cpu time spent up to now is 4.3 secs Computing kpt #: 126 total cpu time spent up to now is 4.3 secs Computing kpt #: 127 total cpu time spent up to now is 4.3 secs Computing kpt #: 128 total cpu time spent up to now is 4.3 secs Computing kpt #: 129 total cpu time spent up to now is 4.4 secs Computing kpt #: 130 total cpu time spent up to now is 4.4 secs Computing kpt #: 131 total cpu time spent up to now is 4.4 secs Computing kpt #: 132 total cpu time spent up to now is 4.4 secs Computing kpt #: 133 total cpu time spent up to now is 4.5 secs Computing kpt #: 134 total cpu time spent up to now is 4.5 secs Computing kpt #: 135 total cpu time spent up to now is 4.5 secs Computing kpt #: 136 total cpu time spent up to now is 4.5 secs Computing kpt #: 137 total cpu time spent up to now is 4.6 secs Computing kpt #: 138 total cpu time spent up to now is 4.6 secs Computing kpt #: 139 total cpu time spent up to now is 4.6 secs Computing kpt #: 140 total cpu time spent up to now is 4.6 secs Computing kpt #: 141 total cpu time spent up to now is 4.6 secs Computing kpt #: 142 total cpu time spent up to now is 4.7 secs Computing kpt #: 143 total cpu time spent up to now is 4.7 secs Computing kpt #: 144 total cpu time spent up to now is 4.7 secs Computing kpt #: 145 total cpu time spent up to now is 4.7 secs Computing kpt #: 146 total cpu time spent up to now is 4.8 secs Computing kpt #: 147 total cpu time spent up to now is 4.9 secs Computing kpt #: 148 total cpu time spent up to now is 4.9 secs Computing kpt #: 149 total cpu time spent up to now is 5.0 secs Computing kpt #: 150 total cpu time spent up to now is 5.0 secs Computing kpt #: 151 total cpu time spent up to now is 5.0 secs Computing kpt #: 152 total cpu time spent up to now is 5.0 secs Computing kpt #: 153 total cpu time spent up to now is 5.1 secs Computing kpt #: 154 total cpu time spent up to now is 5.1 secs Computing kpt #: 155 total cpu time spent up to now is 5.1 secs Computing kpt #: 156 total cpu time spent up to now is 5.2 secs Computing kpt #: 157 total cpu time spent up to now is 5.2 secs Computing kpt #: 158 total cpu time spent up to now is 5.3 secs Computing kpt #: 159 total cpu time spent up to now is 5.3 secs Computing kpt #: 160 total cpu time spent up to now is 5.4 secs Computing kpt #: 161 total cpu time spent up to now is 5.4 secs Computing kpt #: 162 total cpu time spent up to now is 5.4 secs Computing kpt #: 163 total cpu time spent up to now is 5.5 secs Computing kpt #: 164 total cpu time spent up to now is 5.5 secs Computing kpt #: 165 total cpu time spent up to now is 5.5 secs Computing kpt #: 166 total cpu time spent up to now is 5.6 secs Computing kpt #: 167 total cpu time spent up to now is 5.6 secs Computing kpt #: 168 total cpu time spent up to now is 5.6 secs Computing kpt #: 169 total cpu time spent up to now is 5.7 secs Computing kpt #: 170 total cpu time spent up to now is 5.7 secs Computing kpt #: 171 total cpu time spent up to now is 5.7 secs Computing kpt #: 172 total cpu time spent up to now is 5.8 secs Computing kpt #: 173 total cpu time spent up to now is 5.8 secs Computing kpt #: 174 total cpu time spent up to now is 5.9 secs Computing kpt #: 175 total cpu time spent up to now is 5.9 secs Computing kpt #: 176 total cpu time spent up to now is 5.9 secs Computing kpt #: 177 total cpu time spent up to now is 6.0 secs Computing kpt #: 178 total cpu time spent up to now is 6.0 secs Computing kpt #: 179 total cpu time spent up to now is 6.1 secs Computing kpt #: 180 total cpu time spent up to now is 6.1 secs Computing kpt #: 181 total cpu time spent up to now is 6.2 secs Computing kpt #: 182 total cpu time spent up to now is 6.2 secs Computing kpt #: 183 total cpu time spent up to now is 6.2 secs Computing kpt #: 184 total cpu time spent up to now is 6.3 secs Computing kpt #: 185 total cpu time spent up to now is 6.3 secs Computing kpt #: 186 total cpu time spent up to now is 6.4 secs Computing kpt #: 187 total cpu time spent up to now is 6.4 secs Computing kpt #: 188 total cpu time spent up to now is 6.4 secs Computing kpt #: 189 total cpu time spent up to now is 6.5 secs Computing kpt #: 190 total cpu time spent up to now is 6.5 secs Computing kpt #: 191 total cpu time spent up to now is 6.5 secs Computing kpt #: 192 total cpu time spent up to now is 6.6 secs Computing kpt #: 193 total cpu time spent up to now is 6.6 secs Computing kpt #: 194 total cpu time spent up to now is 6.6 secs Computing kpt #: 195 total cpu time spent up to now is 6.7 secs Computing kpt #: 196 total cpu time spent up to now is 6.7 secs Computing kpt #: 197 total cpu time spent up to now is 6.7 secs Computing kpt #: 198 total cpu time spent up to now is 6.8 secs Computing kpt #: 199 total cpu time spent up to now is 6.8 secs Computing kpt #: 200 total cpu time spent up to now is 6.9 secs Computing kpt #: 201 total cpu time spent up to now is 6.9 secs Computing kpt #: 202 total cpu time spent up to now is 7.0 secs Computing kpt #: 203 total cpu time spent up to now is 7.0 secs Computing kpt #: 204 total cpu time spent up to now is 7.0 secs Computing kpt #: 205 total cpu time spent up to now is 7.1 secs Computing kpt #: 206 total cpu time spent up to now is 7.1 secs Computing kpt #: 207 total cpu time spent up to now is 7.2 secs Computing kpt #: 208 total cpu time spent up to now is 7.2 secs Computing kpt #: 209 total cpu time spent up to now is 7.3 secs Computing kpt #: 210 total cpu time spent up to now is 7.3 secs Computing kpt #: 211 total cpu time spent up to now is 7.3 secs Computing kpt #: 212 total cpu time spent up to now is 7.4 secs Computing kpt #: 213 total cpu time spent up to now is 7.4 secs Computing kpt #: 214 total cpu time spent up to now is 7.5 secs Computing kpt #: 215 total cpu time spent up to now is 7.5 secs Computing kpt #: 216 total cpu time spent up to now is 7.5 secs Computing kpt #: 217 total cpu time spent up to now is 7.6 secs Computing kpt #: 218 total cpu time spent up to now is 7.6 secs Computing kpt #: 219 total cpu time spent up to now is 7.7 secs Computing kpt #: 220 total cpu time spent up to now is 7.7 secs Computing kpt #: 221 total cpu time spent up to now is 7.8 secs Computing kpt #: 222 total cpu time spent up to now is 7.8 secs Computing kpt #: 223 total cpu time spent up to now is 7.8 secs Computing kpt #: 224 total cpu time spent up to now is 7.9 secs Computing kpt #: 225 total cpu time spent up to now is 7.9 secs Computing kpt #: 226 total cpu time spent up to now is 7.9 secs Computing kpt #: 227 total cpu time spent up to now is 8.0 secs Computing kpt #: 228 total cpu time spent up to now is 8.0 secs Computing kpt #: 229 total cpu time spent up to now is 8.1 secs Computing kpt #: 230 total cpu time spent up to now is 8.1 secs Computing kpt #: 231 total cpu time spent up to now is 8.2 secs Computing kpt #: 232 total cpu time spent up to now is 8.2 secs Computing kpt #: 233 total cpu time spent up to now is 8.3 secs Computing kpt #: 234 total cpu time spent up to now is 8.3 secs Computing kpt #: 235 total cpu time spent up to now is 8.3 secs Computing kpt #: 236 total cpu time spent up to now is 8.4 secs Computing kpt #: 237 total cpu time spent up to now is 8.4 secs Computing kpt #: 238 total cpu time spent up to now is 8.5 secs Computing kpt #: 239 total cpu time spent up to now is 8.5 secs Computing kpt #: 240 total cpu time spent up to now is 8.6 secs Computing kpt #: 241 total cpu time spent up to now is 8.6 secs Computing kpt #: 242 total cpu time spent up to now is 8.6 secs Computing kpt #: 243 total cpu time spent up to now is 8.7 secs Computing kpt #: 244 total cpu time spent up to now is 8.7 secs Computing kpt #: 245 total cpu time spent up to now is 8.8 secs Computing kpt #: 246 total cpu time spent up to now is 8.8 secs Computing kpt #: 247 total cpu time spent up to now is 8.8 secs Computing kpt #: 248 total cpu time spent up to now is 8.9 secs Computing kpt #: 249 total cpu time spent up to now is 8.9 secs Computing kpt #: 250 total cpu time spent up to now is 9.0 secs Computing kpt #: 251 total cpu time spent up to now is 9.0 secs Computing kpt #: 252 total cpu time spent up to now is 9.1 secs Computing kpt #: 253 total cpu time spent up to now is 9.1 secs Computing kpt #: 254 total cpu time spent up to now is 9.1 secs Computing kpt #: 255 total cpu time spent up to now is 9.2 secs Computing kpt #: 256 total cpu time spent up to now is 9.2 secs Computing kpt #: 257 total cpu time spent up to now is 9.3 secs Computing kpt #: 258 total cpu time spent up to now is 9.3 secs Computing kpt #: 259 total cpu time spent up to now is 9.4 secs Computing kpt #: 260 total cpu time spent up to now is 9.4 secs Computing kpt #: 261 total cpu time spent up to now is 9.4 secs Computing kpt #: 262 total cpu time spent up to now is 9.5 secs Computing kpt #: 263 total cpu time spent up to now is 9.5 secs Computing kpt #: 264 total cpu time spent up to now is 9.6 secs Computing kpt #: 265 total cpu time spent up to now is 9.6 secs Computing kpt #: 266 total cpu time spent up to now is 9.7 secs Computing kpt #: 267 total cpu time spent up to now is 9.7 secs Computing kpt #: 268 total cpu time spent up to now is 9.8 secs Computing kpt #: 269 total cpu time spent up to now is 9.8 secs Computing kpt #: 270 total cpu time spent up to now is 9.9 secs Computing kpt #: 271 total cpu time spent up to now is 9.9 secs Computing kpt #: 272 total cpu time spent up to now is 10.0 secs Computing kpt #: 273 total cpu time spent up to now is 10.0 secs Computing kpt #: 274 total cpu time spent up to now is 10.1 secs Computing kpt #: 275 total cpu time spent up to now is 10.1 secs Computing kpt #: 276 total cpu time spent up to now is 10.1 secs Computing kpt #: 277 total cpu time spent up to now is 10.2 secs Computing kpt #: 278 total cpu time spent up to now is 10.2 secs Computing kpt #: 279 total cpu time spent up to now is 10.3 secs Computing kpt #: 280 total cpu time spent up to now is 10.3 secs Computing kpt #: 281 total cpu time spent up to now is 10.3 secs Computing kpt #: 282 total cpu time spent up to now is 10.4 secs Computing kpt #: 283 total cpu time spent up to now is 10.4 secs Computing kpt #: 284 total cpu time spent up to now is 10.4 secs Computing kpt #: 285 total cpu time spent up to now is 10.4 secs Computing kpt #: 286 total cpu time spent up to now is 10.5 secs Computing kpt #: 287 total cpu time spent up to now is 10.5 secs Computing kpt #: 288 total cpu time spent up to now is 10.5 secs Computing kpt #: 289 total cpu time spent up to now is 10.5 secs Computing kpt #: 290 total cpu time spent up to now is 10.6 secs Computing kpt #: 291 total cpu time spent up to now is 10.6 secs Computing kpt #: 292 total cpu time spent up to now is 10.6 secs Computing kpt #: 293 total cpu time spent up to now is 10.7 secs Computing kpt #: 294 total cpu time spent up to now is 10.7 secs Computing kpt #: 295 total cpu time spent up to now is 10.7 secs Computing kpt #: 296 total cpu time spent up to now is 10.8 secs Computing kpt #: 297 total cpu time spent up to now is 10.8 secs Computing kpt #: 298 total cpu time spent up to now is 10.8 secs Computing kpt #: 299 total cpu time spent up to now is 10.8 secs Computing kpt #: 300 total cpu time spent up to now is 10.9 secs Computing kpt #: 301 total cpu time spent up to now is 10.9 secs Computing kpt #: 302 total cpu time spent up to now is 11.0 secs Computing kpt #: 303 total cpu time spent up to now is 11.0 secs Computing kpt #: 304 total cpu time spent up to now is 11.0 secs Computing kpt #: 305 total cpu time spent up to now is 11.1 secs Computing kpt #: 306 total cpu time spent up to now is 11.1 secs Computing kpt #: 307 total cpu time spent up to now is 11.2 secs Computing kpt #: 308 total cpu time spent up to now is 11.2 secs Computing kpt #: 309 total cpu time spent up to now is 11.2 secs Computing kpt #: 310 total cpu time spent up to now is 11.3 secs Computing kpt #: 311 total cpu time spent up to now is 11.3 secs Computing kpt #: 312 total cpu time spent up to now is 11.3 secs Computing kpt #: 313 total cpu time spent up to now is 11.4 secs Computing kpt #: 314 total cpu time spent up to now is 11.4 secs Computing kpt #: 315 total cpu time spent up to now is 11.4 secs Computing kpt #: 316 total cpu time spent up to now is 11.5 secs Computing kpt #: 317 total cpu time spent up to now is 11.5 secs Computing kpt #: 318 total cpu time spent up to now is 11.5 secs Computing kpt #: 319 total cpu time spent up to now is 11.6 secs Computing kpt #: 320 total cpu time spent up to now is 11.6 secs Computing kpt #: 321 total cpu time spent up to now is 11.7 secs Computing kpt #: 322 total cpu time spent up to now is 11.7 secs Computing kpt #: 323 total cpu time spent up to now is 11.7 secs Computing kpt #: 324 total cpu time spent up to now is 11.8 secs Computing kpt #: 325 total cpu time spent up to now is 11.8 secs Computing kpt #: 326 total cpu time spent up to now is 11.8 secs Computing kpt #: 327 total cpu time spent up to now is 11.9 secs Computing kpt #: 328 total cpu time spent up to now is 11.9 secs Computing kpt #: 329 total cpu time spent up to now is 11.9 secs Computing kpt #: 330 total cpu time spent up to now is 11.9 secs Computing kpt #: 331 total cpu time spent up to now is 12.0 secs Computing kpt #: 332 total cpu time spent up to now is 12.0 secs Computing kpt #: 333 total cpu time spent up to now is 12.0 secs Computing kpt #: 334 total cpu time spent up to now is 12.1 secs Computing kpt #: 335 total cpu time spent up to now is 12.1 secs Computing kpt #: 336 total cpu time spent up to now is 12.1 secs Computing kpt #: 337 total cpu time spent up to now is 12.1 secs Computing kpt #: 338 total cpu time spent up to now is 12.1 secs Computing kpt #: 339 total cpu time spent up to now is 12.2 secs Computing kpt #: 340 total cpu time spent up to now is 12.2 secs Computing kpt #: 341 total cpu time spent up to now is 12.2 secs Computing kpt #: 342 total cpu time spent up to now is 12.2 secs Computing kpt #: 343 total cpu time spent up to now is 12.3 secs Computing kpt #: 344 total cpu time spent up to now is 12.3 secs Computing kpt #: 345 total cpu time spent up to now is 12.3 secs Computing kpt #: 346 total cpu time spent up to now is 12.3 secs Computing kpt #: 347 total cpu time spent up to now is 12.4 secs Computing kpt #: 348 total cpu time spent up to now is 12.4 secs Computing kpt #: 349 total cpu time spent up to now is 12.4 secs Computing kpt #: 350 total cpu time spent up to now is 12.4 secs Computing kpt #: 351 total cpu time spent up to now is 12.4 secs Computing kpt #: 352 total cpu time spent up to now is 12.5 secs Computing kpt #: 353 total cpu time spent up to now is 12.5 secs Computing kpt #: 354 total cpu time spent up to now is 12.5 secs Computing kpt #: 355 total cpu time spent up to now is 12.5 secs Computing kpt #: 356 total cpu time spent up to now is 12.6 secs Computing kpt #: 357 total cpu time spent up to now is 12.6 secs Computing kpt #: 358 total cpu time spent up to now is 12.6 secs Computing kpt #: 359 total cpu time spent up to now is 12.6 secs Computing kpt #: 360 total cpu time spent up to now is 12.7 secs Computing kpt #: 361 total cpu time spent up to now is 12.7 secs Computing kpt #: 362 total cpu time spent up to now is 12.7 secs Computing kpt #: 363 total cpu time spent up to now is 12.7 secs Computing kpt #: 364 total cpu time spent up to now is 12.8 secs Computing kpt #: 365 total cpu time spent up to now is 12.8 secs Computing kpt #: 366 total cpu time spent up to now is 12.8 secs Computing kpt #: 367 total cpu time spent up to now is 12.9 secs Computing kpt #: 368 total cpu time spent up to now is 12.9 secs Computing kpt #: 369 total cpu time spent up to now is 12.9 secs Computing kpt #: 370 total cpu time spent up to now is 13.0 secs Computing kpt #: 371 total cpu time spent up to now is 13.0 secs Computing kpt #: 372 total cpu time spent up to now is 13.0 secs Computing kpt #: 373 total cpu time spent up to now is 13.1 secs Computing kpt #: 374 total cpu time spent up to now is 13.1 secs Computing kpt #: 375 total cpu time spent up to now is 13.1 secs Computing kpt #: 376 total cpu time spent up to now is 13.2 secs Computing kpt #: 377 total cpu time spent up to now is 13.2 secs Computing kpt #: 378 total cpu time spent up to now is 13.2 secs Computing kpt #: 379 total cpu time spent up to now is 13.2 secs Computing kpt #: 380 total cpu time spent up to now is 13.3 secs Computing kpt #: 381 total cpu time spent up to now is 13.3 secs Computing kpt #: 382 total cpu time spent up to now is 13.3 secs Computing kpt #: 383 total cpu time spent up to now is 13.4 secs Computing kpt #: 384 total cpu time spent up to now is 13.4 secs Computing kpt #: 385 total cpu time spent up to now is 13.4 secs Computing kpt #: 386 total cpu time spent up to now is 13.4 secs Computing kpt #: 387 total cpu time spent up to now is 13.5 secs Computing kpt #: 388 total cpu time spent up to now is 13.5 secs Computing kpt #: 389 total cpu time spent up to now is 13.5 secs Computing kpt #: 390 total cpu time spent up to now is 13.5 secs Computing kpt #: 391 total cpu time spent up to now is 13.6 secs Computing kpt #: 392 total cpu time spent up to now is 13.6 secs Computing kpt #: 393 total cpu time spent up to now is 13.6 secs Computing kpt #: 394 total cpu time spent up to now is 13.6 secs Computing kpt #: 395 total cpu time spent up to now is 13.7 secs Computing kpt #: 396 total cpu time spent up to now is 13.7 secs Computing kpt #: 397 total cpu time spent up to now is 13.7 secs Computing kpt #: 398 total cpu time spent up to now is 13.7 secs Computing kpt #: 399 total cpu time spent up to now is 13.8 secs Computing kpt #: 400 total cpu time spent up to now is 13.8 secs Computing kpt #: 401 total cpu time spent up to now is 13.8 secs Computing kpt #: 402 total cpu time spent up to now is 13.8 secs Computing kpt #: 403 total cpu time spent up to now is 13.9 secs Computing kpt #: 404 total cpu time spent up to now is 13.9 secs Computing kpt #: 405 total cpu time spent up to now is 13.9 secs Computing kpt #: 406 total cpu time spent up to now is 14.0 secs Computing kpt #: 407 total cpu time spent up to now is 14.0 secs Computing kpt #: 408 total cpu time spent up to now is 14.0 secs Computing kpt #: 409 total cpu time spent up to now is 14.0 secs Computing kpt #: 410 total cpu time spent up to now is 14.1 secs Computing kpt #: 411 total cpu time spent up to now is 14.1 secs Computing kpt #: 412 total cpu time spent up to now is 14.1 secs Computing kpt #: 413 total cpu time spent up to now is 14.2 secs Computing kpt #: 414 total cpu time spent up to now is 14.2 secs Computing kpt #: 415 total cpu time spent up to now is 14.2 secs Computing kpt #: 416 total cpu time spent up to now is 14.2 secs Computing kpt #: 417 total cpu time spent up to now is 14.3 secs Computing kpt #: 418 total cpu time spent up to now is 14.3 secs Computing kpt #: 419 total cpu time spent up to now is 14.3 secs Computing kpt #: 420 total cpu time spent up to now is 14.4 secs Computing kpt #: 421 total cpu time spent up to now is 14.4 secs Computing kpt #: 422 total cpu time spent up to now is 14.4 secs Computing kpt #: 423 total cpu time spent up to now is 14.4 secs Computing kpt #: 424 total cpu time spent up to now is 14.5 secs Computing kpt #: 425 total cpu time spent up to now is 14.5 secs Computing kpt #: 426 total cpu time spent up to now is 14.5 secs Computing kpt #: 427 total cpu time spent up to now is 14.6 secs Computing kpt #: 428 total cpu time spent up to now is 14.6 secs Computing kpt #: 429 total cpu time spent up to now is 14.6 secs Computing kpt #: 430 total cpu time spent up to now is 14.7 secs Computing kpt #: 431 total cpu time spent up to now is 14.7 secs Computing kpt #: 432 total cpu time spent up to now is 14.7 secs Computing kpt #: 433 total cpu time spent up to now is 14.8 secs Computing kpt #: 434 total cpu time spent up to now is 14.9 secs Computing kpt #: 435 total cpu time spent up to now is 14.9 secs Computing kpt #: 436 total cpu time spent up to now is 15.0 secs Computing kpt #: 437 total cpu time spent up to now is 15.0 secs Computing kpt #: 438 total cpu time spent up to now is 15.1 secs Computing kpt #: 439 total cpu time spent up to now is 15.1 secs Computing kpt #: 440 total cpu time spent up to now is 15.1 secs Computing kpt #: 441 total cpu time spent up to now is 15.2 secs Computing kpt #: 442 total cpu time spent up to now is 15.2 secs Computing kpt #: 443 total cpu time spent up to now is 15.2 secs Computing kpt #: 444 total cpu time spent up to now is 15.3 secs Computing kpt #: 445 total cpu time spent up to now is 15.3 secs Computing kpt #: 446 total cpu time spent up to now is 15.3 secs Computing kpt #: 447 total cpu time spent up to now is 15.4 secs Computing kpt #: 448 total cpu time spent up to now is 15.4 secs Computing kpt #: 449 total cpu time spent up to now is 15.4 secs Computing kpt #: 450 total cpu time spent up to now is 15.5 secs Computing kpt #: 451 total cpu time spent up to now is 15.5 secs Computing kpt #: 452 total cpu time spent up to now is 15.6 secs Computing kpt #: 453 total cpu time spent up to now is 15.6 secs Computing kpt #: 454 total cpu time spent up to now is 15.6 secs Computing kpt #: 455 total cpu time spent up to now is 15.7 secs Computing kpt #: 456 total cpu time spent up to now is 15.7 secs Computing kpt #: 457 total cpu time spent up to now is 15.7 secs Computing kpt #: 458 total cpu time spent up to now is 15.8 secs Computing kpt #: 459 total cpu time spent up to now is 15.8 secs Computing kpt #: 460 total cpu time spent up to now is 15.8 secs Computing kpt #: 461 total cpu time spent up to now is 15.9 secs Computing kpt #: 462 total cpu time spent up to now is 15.9 secs Computing kpt #: 463 total cpu time spent up to now is 15.9 secs Computing kpt #: 464 total cpu time spent up to now is 16.0 secs Computing kpt #: 465 total cpu time spent up to now is 16.0 secs Computing kpt #: 466 total cpu time spent up to now is 16.0 secs Computing kpt #: 467 total cpu time spent up to now is 16.0 secs Computing kpt #: 468 total cpu time spent up to now is 16.0 secs Computing kpt #: 469 total cpu time spent up to now is 16.1 secs Computing kpt #: 470 total cpu time spent up to now is 16.1 secs Computing kpt #: 471 total cpu time spent up to now is 16.1 secs Computing kpt #: 472 total cpu time spent up to now is 16.1 secs Computing kpt #: 473 total cpu time spent up to now is 16.2 secs Computing kpt #: 474 total cpu time spent up to now is 16.2 secs Computing kpt #: 475 total cpu time spent up to now is 16.2 secs Computing kpt #: 476 total cpu time spent up to now is 16.2 secs Computing kpt #: 477 total cpu time spent up to now is 16.3 secs Computing kpt #: 478 total cpu time spent up to now is 16.3 secs Computing kpt #: 479 total cpu time spent up to now is 16.3 secs Computing kpt #: 480 total cpu time spent up to now is 16.3 secs Computing kpt #: 481 total cpu time spent up to now is 16.3 secs Computing kpt #: 482 total cpu time spent up to now is 16.4 secs Computing kpt #: 483 total cpu time spent up to now is 16.4 secs Computing kpt #: 484 total cpu time spent up to now is 16.4 secs Computing kpt #: 485 total cpu time spent up to now is 16.4 secs Computing kpt #: 486 total cpu time spent up to now is 16.4 secs Computing kpt #: 487 total cpu time spent up to now is 16.5 secs Computing kpt #: 488 total cpu time spent up to now is 16.5 secs Computing kpt #: 489 total cpu time spent up to now is 16.5 secs Computing kpt #: 490 total cpu time spent up to now is 16.5 secs Computing kpt #: 491 total cpu time spent up to now is 16.5 secs Computing kpt #: 492 total cpu time spent up to now is 16.6 secs Computing kpt #: 493 total cpu time spent up to now is 16.6 secs Computing kpt #: 494 total cpu time spent up to now is 16.6 secs Computing kpt #: 495 total cpu time spent up to now is 16.6 secs Computing kpt #: 496 total cpu time spent up to now is 16.7 secs Computing kpt #: 497 total cpu time spent up to now is 16.7 secs Computing kpt #: 498 total cpu time spent up to now is 16.7 secs Computing kpt #: 499 total cpu time spent up to now is 16.7 secs ethr = 2.50E-07, avg # of iterations = 12.5 total cpu time spent up to now is 16.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 169 PWs) bands (ev): -5.2391 -5.2391 17.3787 17.3787 17.8908 17.8908 17.8908 17.8908 22.7747 22.7747 22.7747 22.7747 k = 0.0066-0.0038 0.0054 ( 169 PWs) bands (ev): -5.2377 -5.2377 17.3714 17.3714 17.8817 17.8817 17.8838 17.8838 22.7508 22.7509 22.7858 22.7858 k = 0.0132-0.0076 0.0107 ( 169 PWs) bands (ev): -5.2332 -5.2332 17.3499 17.3499 17.8547 17.8547 17.8628 17.8628 22.6824 22.6824 22.8174 22.8174 k = 0.0197-0.0114 0.0161 ( 169 PWs) bands (ev): -5.2258 -5.2258 17.3142 17.3142 17.8105 17.8105 17.8283 17.8283 22.5782 22.5782 22.8698 22.8698 k = 0.0263-0.0152 0.0215 ( 169 PWs) bands (ev): -5.2154 -5.2154 17.2651 17.2651 17.7503 17.7503 17.7812 17.7812 22.4478 22.4478 22.9419 22.9419 k = 0.0329-0.0190 0.0269 ( 169 PWs) bands (ev): -5.2020 -5.2020 17.2031 17.2031 17.6756 17.6756 17.7222 17.7222 22.2993 22.2993 23.0324 23.0324 k = 0.0395-0.0228 0.0322 ( 173 PWs) bands (ev): -5.1857 -5.1857 17.1285 17.1285 17.5868 17.5868 17.6520 17.6520 22.1388 22.1388 23.1236 23.1236 k = 0.0461-0.0266 0.0376 ( 173 PWs) bands (ev): -5.1664 -5.1664 17.0435 17.0435 17.4875 17.4875 17.5722 17.5722 21.9705 21.9705 23.2466 23.2466 k = 0.0526-0.0304 0.0430 ( 173 PWs) bands (ev): -5.1441 -5.1441 16.9487 16.9487 17.3785 17.3785 17.4834 17.4834 21.7973 21.7973 23.3835 23.3835 k = 0.0592-0.0342 0.0483 ( 173 PWs) bands (ev): -5.1188 -5.1188 16.8451 16.8451 17.2613 17.2613 17.3863 17.3863 21.6213 21.6213 23.5330 23.5330 k = 0.0658-0.0380 0.0537 ( 173 PWs) bands (ev): -5.0905 -5.0905 16.7339 16.7339 17.1372 17.1372 17.2818 17.2818 21.4438 21.4438 23.6937 23.6937 k = 0.0724-0.0418 0.0591 ( 173 PWs) bands (ev): -5.0593 -5.0593 16.6163 16.6163 17.0075 17.0075 17.1705 17.1705 21.2660 21.2660 23.8645 23.8645 k = 0.0789-0.0456 0.0645 ( 173 PWs) bands (ev): -5.0251 -5.0251 16.4930 16.4930 16.8733 16.8733 17.0529 17.0529 21.0885 21.0885 24.0442 24.0442 k = 0.0855-0.0494 0.0698 ( 173 PWs) bands (ev): -4.9880 -4.9880 16.3652 16.3652 16.7355 16.7355 16.9296 16.9296 20.9118 20.9118 24.2317 24.2317 k = 0.0921-0.0532 0.0752 ( 173 PWs) bands (ev): -4.9479 -4.9479 16.2337 16.2337 16.5949 16.5949 16.8009 16.8009 20.7365 20.7365 24.4260 24.4260 k = 0.0987-0.0570 0.0806 ( 173 PWs) bands (ev): -4.9048 -4.9048 16.0991 16.0991 16.4523 16.4523 16.6672 16.6672 20.5627 20.5627 24.6238 24.6238 k = 0.1053-0.0608 0.0859 ( 173 PWs) bands (ev): -4.8587 -4.8587 15.9622 15.9622 16.3083 16.3083 16.5290 16.5290 20.3907 20.3907 24.5461 24.5461 k = 0.1118-0.0646 0.0913 ( 173 PWs) bands (ev): -4.8097 -4.8097 15.8235 15.8235 16.1633 16.1633 16.3866 16.3866 20.2207 20.2207 24.2240 24.2240 k = 0.1184-0.0684 0.0967 ( 173 PWs) bands (ev): -4.7577 -4.7577 15.6834 15.6834 16.0179 16.0179 16.2401 16.2401 20.0529 20.0529 23.8973 23.8973 k = 0.1250-0.0722 0.1021 ( 173 PWs) bands (ev): -4.7027 -4.7027 15.5424 15.5424 15.8724 15.8724 16.0899 16.0899 19.8875 19.8875 23.5700 23.5700 k = 0.1316-0.0760 0.1074 ( 173 PWs) bands (ev): -4.6448 -4.6448 15.4009 15.4009 15.7271 15.7271 15.9362 15.9362 19.7243 19.7243 23.2438 23.2438 k = 0.1382-0.0798 0.1128 ( 173 PWs) bands (ev): -4.5838 -4.5838 15.2590 15.2590 15.5825 15.5825 15.7791 15.7791 19.5637 19.5637 22.9199 22.9199 k = 0.1447-0.0836 0.1182 ( 173 PWs) bands (ev): -4.5200 -4.5200 15.1170 15.1170 15.4387 15.4387 15.6190 15.6190 19.4056 19.4056 22.5992 22.5992 k = 0.1513-0.0874 0.1235 ( 173 PWs) bands (ev): -4.4531 -4.4531 14.9749 14.9749 15.2959 15.2959 15.4559 15.4559 19.2501 19.2501 22.2825 22.2825 k = 0.1579-0.0912 0.1289 ( 173 PWs) bands (ev): -4.3834 -4.3834 14.8329 14.8329 15.1543 15.1543 15.2903 15.2903 19.0972 19.0972 21.9704 21.9704 k = 0.1645-0.0950 0.1343 ( 173 PWs) bands (ev): -4.3106 -4.3106 14.6907 14.6907 15.0142 15.0142 15.1223 15.1223 18.9470 18.9470 21.6633 21.6633 k = 0.1711-0.0988 0.1397 ( 173 PWs) bands (ev): -4.2349 -4.2349 14.5482 14.5482 14.8757 14.8757 14.9524 14.9524 18.7995 18.7995 21.3619 21.3619 k = 0.1776-0.1026 0.1450 ( 173 PWs) bands (ev): -4.1562 -4.1562 14.4047 14.4047 14.7388 14.7388 14.7814 14.7814 18.6548 18.6548 21.0664 21.0664 k = 0.1842-0.1064 0.1504 ( 181 PWs) bands (ev): -4.0747 -4.0747 14.2572 14.2572 14.6008 14.6008 14.6089 14.6089 18.5106 18.5106 20.7636 20.7636 k = 0.1908-0.1102 0.1558 ( 181 PWs) bands (ev): -3.9901 -3.9901 14.1089 14.1089 14.4388 14.4388 14.4678 14.4678 18.3714 18.3714 20.4814 20.4814 k = 0.1974-0.1140 0.1612 ( 182 PWs) bands (ev): -3.9026 -3.9026 13.9555 13.9555 14.2717 14.2717 14.3369 14.3369 18.2350 18.2350 20.1987 20.1987 k = 0.2039-0.1177 0.1665 ( 182 PWs) bands (ev): -3.8121 -3.8121 13.7948 13.7948 14.1103 14.1103 14.2080 14.2080 18.1014 18.1014 19.9309 19.9309 k = 0.2105-0.1215 0.1719 ( 182 PWs) bands (ev): -3.7186 -3.7186 13.6249 13.6249 13.9561 13.9561 14.0814 14.0814 17.9707 17.9707 19.6705 19.6705 k = 0.2171-0.1253 0.1773 ( 178 PWs) bands (ev): -3.6220 -3.6220 13.4453 13.4453 13.8104 13.8104 13.9573 13.9573 17.8429 17.8429 19.4303 19.4303 k = 0.2237-0.1291 0.1826 ( 178 PWs) bands (ev): -3.5226 -3.5226 13.2562 13.2562 13.6722 13.6722 13.8353 13.8353 17.7178 17.7178 19.1853 19.1853 k = 0.2303-0.1329 0.1880 ( 178 PWs) bands (ev): -3.4204 -3.4204 13.0589 13.0589 13.5407 13.5407 13.7156 13.7156 17.5957 17.5957 18.9483 18.9483 k = 0.2368-0.1367 0.1934 ( 178 PWs) bands (ev): -3.3151 -3.3151 12.8544 12.8544 13.4149 13.4149 13.5984 13.5984 17.4764 17.4764 18.7195 18.7195 k = 0.2434-0.1405 0.1988 ( 178 PWs) bands (ev): -3.2070 -3.2070 12.6438 12.6438 13.2939 13.2939 13.4837 13.4837 17.3600 17.3600 18.4988 18.4988 k = 0.2500-0.1443 0.2041 ( 178 PWs) bands (ev): -3.0959 -3.0959 12.4279 12.4279 13.1771 13.1771 13.3716 13.3716 17.2466 17.2466 18.2863 18.2863 k = 0.2566-0.1481 0.2095 ( 178 PWs) bands (ev): -2.9820 -2.9820 12.2072 12.2072 13.0641 13.0641 13.2620 13.2620 17.1360 17.1360 18.0821 18.0821 k = 0.2632-0.1519 0.2149 ( 178 PWs) bands (ev): -2.8650 -2.8650 11.9822 11.9822 12.9545 12.9545 13.1550 13.1550 17.0283 17.0283 17.8859 17.8859 k = 0.2697-0.1557 0.2202 ( 178 PWs) bands (ev): -2.7452 -2.7452 11.7534 11.7534 12.8482 12.8482 13.0507 13.0507 16.9236 16.9236 17.6978 17.6978 k = 0.2763-0.1595 0.2256 ( 178 PWs) bands (ev): -2.6225 -2.6225 11.5211 11.5211 12.7451 12.7451 12.9491 12.9491 16.8217 16.8217 17.5176 17.5176 k = 0.2829-0.1633 0.2310 ( 178 PWs) bands (ev): -2.4969 -2.4969 11.2857 11.2857 12.6450 12.6450 12.8502 12.8502 16.7228 16.7228 17.3451 17.3451 k = 0.2895-0.1671 0.2364 ( 178 PWs) bands (ev): -2.3684 -2.3684 11.0474 11.0474 12.5480 12.5480 12.7540 12.7540 16.6268 16.6268 17.1803 17.1803 k = 0.2961-0.1709 0.2417 ( 178 PWs) bands (ev): -2.2370 -2.2370 10.8066 10.8066 12.4539 12.4539 12.6606 12.6606 16.5338 16.5338 17.0229 17.0229 k = 0.3026-0.1747 0.2471 ( 178 PWs) bands (ev): -2.1027 -2.1027 10.5636 10.5636 12.3627 12.3627 12.5699 12.5699 16.4437 16.4437 16.8727 16.8727 k = 0.3092-0.1785 0.2525 ( 186 PWs) bands (ev): -1.9656 -1.9656 10.3186 10.3186 12.2728 12.2728 12.4803 12.4803 16.3444 16.3444 16.7295 16.7295 k = 0.3158-0.1823 0.2578 ( 186 PWs) bands (ev): -1.8256 -1.8256 10.0721 10.0721 12.1876 12.1876 12.3954 12.3954 16.2601 16.2601 16.5932 16.5932 k = 0.3224-0.1861 0.2632 ( 186 PWs) bands (ev): -1.6828 -1.6828 9.8243 9.8243 12.1053 12.1053 12.3133 12.3133 16.1788 16.1788 16.4634 16.4634 k = 0.3289-0.1899 0.2686 ( 186 PWs) bands (ev): -1.5372 -1.5372 9.5754 9.5754 12.0259 12.0259 12.2341 12.2341 16.1004 16.1004 16.3401 16.3401 k = 0.3355-0.1937 0.2740 ( 190 PWs) bands (ev): -1.3886 -1.3886 9.3257 9.3257 11.9486 11.9486 12.1569 12.1569 16.0257 16.0257 16.2209 16.2209 k = 0.3421-0.1975 0.2793 ( 190 PWs) bands (ev): -1.2373 -1.2373 9.0756 9.0756 11.8752 11.8752 12.0834 12.0834 15.9531 15.9531 16.1098 16.1098 k = 0.3487-0.2013 0.2847 ( 190 PWs) bands (ev): -1.0833 -1.0833 8.8251 8.8251 11.8047 11.8047 12.0129 12.0129 15.8835 15.8835 16.0045 16.0045 k = 0.3553-0.2051 0.2901 ( 190 PWs) bands (ev): -0.9265 -0.9265 8.5746 8.5746 11.7371 11.7371 11.9453 11.9453 15.8169 15.8169 15.9049 15.9049 k = 0.3618-0.2089 0.2954 ( 190 PWs) bands (ev): -0.7669 -0.7669 8.3243 8.3243 11.6724 11.6724 11.8807 11.8807 15.7532 15.7532 15.8108 15.8108 k = 0.3684-0.2127 0.3008 ( 190 PWs) bands (ev): -0.6047 -0.6047 8.0744 8.0744 11.6108 11.6108 11.8189 11.8189 15.6924 15.6924 15.7220 15.7220 k = 0.3750-0.2165 0.3062 ( 190 PWs) bands (ev): -0.4398 -0.4398 7.8252 7.8252 11.5520 11.5520 11.7602 11.7602 15.6346 15.6346 15.6384 15.6384 k = 0.3816-0.2203 0.3116 ( 194 PWs) bands (ev): -0.2724 -0.2724 7.5750 7.5750 11.4962 11.4962 11.7042 11.7042 15.5484 15.5484 15.5798 15.5798 k = 0.3882-0.2241 0.3169 ( 194 PWs) bands (ev): -0.1023 -0.1023 7.3276 7.3276 11.4434 11.4434 11.6514 11.6514 15.4747 15.4747 15.5279 15.5279 k = 0.3947-0.2279 0.3223 ( 194 PWs) bands (ev): 0.0703 0.0703 7.0814 7.0814 11.3937 11.3937 11.6015 11.6015 15.4058 15.4058 15.4790 15.4790 k = 0.4013-0.2317 0.3277 ( 194 PWs) bands (ev): 0.2454 0.2454 6.8366 6.8366 11.3469 11.3469 11.5547 11.5547 15.3416 15.3416 15.4331 15.4331 k = 0.4079-0.2355 0.3330 ( 194 PWs) bands (ev): 0.4229 0.4229 6.5934 6.5934 11.3031 11.3031 11.5108 11.5108 15.2820 15.2820 15.3901 15.3901 k = 0.4145-0.2393 0.3384 ( 194 PWs) bands (ev): 0.6027 0.6027 6.3520 6.3520 11.2623 11.2623 11.4699 11.4699 15.2268 15.2268 15.3501 15.3501 k = 0.4211-0.2431 0.3438 ( 194 PWs) bands (ev): 0.7847 0.7847 6.1126 6.1126 11.2245 11.2245 11.4320 11.4320 15.1760 15.1760 15.3130 15.3130 k = 0.4276-0.2469 0.3492 ( 190 PWs) bands (ev): 0.9693 0.9693 5.8757 5.8757 11.1897 11.1897 11.3972 11.3972 15.1352 15.1352 15.2800 15.2800 k = 0.4342-0.2507 0.3545 ( 190 PWs) bands (ev): 1.1550 1.1550 5.6413 5.6413 11.1579 11.1579 11.3654 11.3654 15.0930 15.0930 15.2488 15.2488 k = 0.4408-0.2545 0.3599 ( 190 PWs) bands (ev): 1.3421 1.3421 5.4098 5.4098 11.1291 11.1291 11.3365 11.3365 15.0549 15.0549 15.2206 15.2206 k = 0.4474-0.2583 0.3653 ( 190 PWs) bands (ev): 1.5302 1.5302 5.1819 5.1819 11.1034 11.1034 11.3107 11.3107 15.0210 15.0210 15.1954 15.1954 k = 0.4539-0.2621 0.3706 ( 190 PWs) bands (ev): 1.7187 1.7187 4.9583 4.9583 11.0807 11.0807 11.2880 11.2880 14.9912 14.9912 15.1732 15.1732 k = 0.4605-0.2659 0.3760 ( 190 PWs) bands (ev): 1.9064 1.9064 4.7399 4.7399 11.0609 11.0609 11.2682 11.2682 14.9655 14.9655 15.1539 15.1539 k = 0.4671-0.2697 0.3814 ( 190 PWs) bands (ev): 2.0917 2.0917 4.5287 4.5287 11.0443 11.0443 11.2515 11.2515 14.9438 14.9438 15.1376 15.1376 k = 0.4737-0.2735 0.3868 ( 190 PWs) bands (ev): 2.2716 2.2716 4.3275 4.3275 11.0306 11.0306 11.2378 11.2378 14.9260 14.9260 15.1242 15.1242 k = 0.4803-0.2773 0.3921 ( 190 PWs) bands (ev): 2.4407 2.4407 4.1417 4.1417 11.0200 11.0200 11.2272 11.2272 14.9122 14.9122 15.1138 15.1138 k = 0.4868-0.2811 0.3975 ( 190 PWs) bands (ev): 2.5887 2.5887 3.9818 3.9818 11.0124 11.0124 11.2196 11.2196 14.9024 14.9024 15.1064 15.1064 k = 0.4934-0.2849 0.4029 ( 190 PWs) bands (ev): 2.6968 2.6968 3.8666 3.8666 11.0079 11.0079 11.2150 11.2150 14.8965 14.8965 15.1020 15.1020 k = 0.5000-0.2887 0.4082 ( 190 PWs) bands (ev): 2.7379 2.7379 3.8231 3.8231 11.0063 11.0063 11.2135 11.2135 14.8946 14.8946 15.1005 15.1005 k = 0.5000-0.2887 0.4082 ( 190 PWs) bands (ev): 2.7379 2.7379 3.8231 3.8231 11.0063 11.0063 11.2135 11.2135 14.8946 14.8946 15.1005 15.1005 k = 0.5000-0.2811 0.4136 ( 190 PWs) bands (ev): 2.7388 2.7388 3.8247 3.8247 10.9951 10.9951 11.2015 11.2015 14.9085 14.9085 15.1160 15.1160 k = 0.5000-0.2735 0.4190 ( 190 PWs) bands (ev): 2.7415 2.7415 3.8294 3.8294 10.9620 10.9620 11.1663 11.1663 14.9498 14.9498 15.1619 15.1619 k = 0.5000-0.2659 0.4244 ( 190 PWs) bands (ev): 2.7460 2.7460 3.8372 3.8372 10.9080 10.9080 11.1095 11.1095 15.0171 15.0171 15.2365 15.2365 k = 0.5000-0.2583 0.4297 ( 190 PWs) bands (ev): 2.7522 2.7522 3.8481 3.8481 10.8351 10.8351 11.0338 11.0338 15.1083 15.1083 15.3376 15.3376 k = 0.5000-0.2507 0.4351 ( 190 PWs) bands (ev): 2.7602 2.7602 3.8621 3.8621 10.7454 10.7454 10.9422 10.9422 15.2212 15.2212 15.4624 15.4624 k = 0.5000-0.2431 0.4405 ( 190 PWs) bands (ev): 2.7700 2.7700 3.8792 3.8792 10.6410 10.6410 10.8377 10.8377 15.3532 15.3532 15.6081 15.6081 k = 0.5000-0.2355 0.4459 ( 190 PWs) bands (ev): 2.7814 2.7814 3.8995 3.8995 10.5243 10.5243 10.7231 10.7231 15.5020 15.5020 15.7718 15.7718 k = 0.5000-0.2279 0.4512 ( 190 PWs) bands (ev): 2.7945 2.7945 3.9229 3.9229 10.3971 10.3971 10.6012 10.6012 15.6655 15.6655 15.9514 15.9514 k = 0.5000-0.2203 0.4566 ( 190 PWs) bands (ev): 2.8092 2.8092 3.9493 3.9493 10.2613 10.2613 10.4739 10.4739 15.8417 15.8417 16.1445 16.1445 k = 0.5000-0.2127 0.4620 ( 190 PWs) bands (ev): 2.8254 2.8254 3.9789 3.9789 10.1186 10.1186 10.3430 10.3430 16.0291 16.0291 16.3495 16.3495 k = 0.5000-0.2051 0.4673 ( 186 PWs) bands (ev): 2.8432 2.8432 4.0117 4.0117 9.9706 9.9706 10.2100 10.2100 16.2283 16.2283 16.5672 16.5672 k = 0.5000-0.1975 0.4727 ( 186 PWs) bands (ev): 2.8624 2.8624 4.0475 4.0475 9.8183 9.8183 10.0758 10.0758 16.4341 16.4341 16.7918 16.7918 k = 0.5000-0.1899 0.4781 ( 186 PWs) bands (ev): 2.8830 2.8830 4.0864 4.0864 9.6630 9.6630 9.9416 9.9416 16.6474 16.6474 17.0246 17.0246 k = 0.5000-0.1823 0.4835 ( 186 PWs) bands (ev): 2.9048 2.9048 4.1283 4.1283 9.5055 9.5055 9.8079 9.8079 16.8675 16.8675 17.2648 17.2648 k = 0.5000-0.1747 0.4888 ( 186 PWs) bands (ev): 2.9279 2.9279 4.1734 4.1734 9.3467 9.3467 9.6754 9.6754 17.0935 17.0935 17.5116 17.5116 k = 0.5000-0.1671 0.4942 ( 190 PWs) bands (ev): 2.9519 2.9519 4.2216 4.2216 9.1838 9.1838 9.5431 9.5431 17.3231 17.3231 17.7515 17.7515 k = 0.5000-0.1595 0.4996 ( 190 PWs) bands (ev): 2.9770 2.9770 4.2728 4.2728 9.0241 9.0241 9.4146 9.4146 17.5592 17.5592 18.0100 18.0100 k = 0.5000-0.1519 0.5049 ( 190 PWs) bands (ev): 3.0029 3.0029 4.3271 4.3271 8.8647 8.8647 9.2888 9.2888 17.7994 17.7994 18.2737 18.2737 k = 0.5000-0.1443 0.5103 ( 190 PWs) bands (ev): 3.0296 3.0296 4.3845 4.3845 8.7059 8.7059 9.1661 9.1661 18.0433 18.0433 18.5424 18.5424 k = 0.5000-0.1367 0.5157 ( 192 PWs) bands (ev): 3.0567 3.0567 4.4450 4.4450 8.5466 8.5466 9.0463 9.0463 18.2890 18.2890 18.8099 18.8099 k = 0.5000-0.1291 0.5211 ( 192 PWs) bands (ev): 3.0843 3.0843 4.5085 4.5085 8.3901 8.3901 8.9309 8.9309 18.5387 18.5387 19.0876 19.0876 k = 0.5000-0.1215 0.5264 ( 192 PWs) bands (ev): 3.1121 3.1121 4.5750 4.5750 8.2351 8.2351 8.8197 8.8197 18.7905 18.7905 19.3694 19.3694 k = 0.5000-0.1140 0.5318 ( 188 PWs) bands (ev): 3.1399 3.1399 4.6452 4.6452 8.0821 8.0821 8.7131 8.7131 19.0441 19.0441 19.6626 19.6626 k = 0.5000-0.1064 0.5372 ( 188 PWs) bands (ev): 3.1676 3.1676 4.7178 4.7178 7.9306 7.9306 8.6112 8.6112 19.2983 19.2983 19.9524 19.9524 k = 0.5000-0.0988 0.5425 ( 188 PWs) bands (ev): 3.1948 3.1948 4.7935 4.7935 7.7811 7.7811 8.5144 8.5144 19.5527 19.5527 20.2459 20.2459 k = 0.5000-0.0912 0.5479 ( 188 PWs) bands (ev): 3.2214 3.2214 4.8722 4.8722 7.6337 7.6337 8.4231 8.4231 19.8064 19.8064 20.5431 20.5431 k = 0.5000-0.0836 0.5533 ( 188 PWs) bands (ev): 3.2472 3.2472 4.9538 4.9538 7.4885 7.4885 8.3375 8.3375 20.0582 20.0582 20.8438 20.8438 k = 0.5000-0.0760 0.5587 ( 188 PWs) bands (ev): 3.2719 3.2719 5.0385 5.0385 7.3456 7.3456 8.2581 8.2581 20.3071 20.3071 21.1479 21.1479 k = 0.5000-0.0684 0.5640 ( 188 PWs) bands (ev): 3.2952 3.2952 5.1260 5.1260 7.2051 7.2051 8.1851 8.1851 20.5512 20.5512 21.4554 21.4554 k = 0.5000-0.0608 0.5694 ( 188 PWs) bands (ev): 3.3169 3.3169 5.2165 5.2165 7.0672 7.0672 8.1187 8.1187 20.7885 20.7885 21.7662 21.7662 k = 0.5000-0.0532 0.5748 ( 188 PWs) bands (ev): 3.3368 3.3368 5.3099 5.3099 6.9318 6.9318 8.0594 8.0594 21.0164 21.0164 22.0802 22.0802 k = 0.5000-0.0456 0.5801 ( 188 PWs) bands (ev): 3.3546 3.3546 5.4062 5.4062 6.7991 6.7991 8.0073 8.0073 21.2315 21.2315 22.3973 22.3973 k = 0.5000-0.0380 0.5855 ( 192 PWs) bands (ev): 3.3699 3.3699 5.5051 5.5051 6.6692 6.6692 7.9615 7.9615 21.4232 21.4232 22.7164 22.7164 k = 0.5000-0.0304 0.5909 ( 192 PWs) bands (ev): 3.3829 3.3829 5.6066 5.6066 6.5423 6.5423 7.9247 7.9247 21.5992 21.5992 23.0396 23.0396 k = 0.5000-0.0228 0.5963 ( 198 PWs) bands (ev): 3.3931 3.3931 5.7101 5.7101 6.4172 6.4172 7.8944 7.8944 21.7434 21.7434 23.3532 23.3532 k = 0.5000-0.0152 0.6016 ( 198 PWs) bands (ev): 3.4006 3.4006 5.8151 5.8151 6.2982 6.2982 7.8736 7.8736 21.8555 21.8555 23.6819 23.6819 k = 0.5000-0.0076 0.6070 ( 200 PWs) bands (ev): 3.4051 3.4051 5.9168 5.9168 6.1879 6.1879 7.8612 7.8612 21.9261 21.9261 24.0129 24.0129 k = 0.5000-0.0000 0.6124 ( 200 PWs) bands (ev): 3.4066 3.4066 5.9800 5.9800 6.1219 6.1219 7.8570 7.8570 21.9501 21.9501 24.3153 24.3153 k = 0.5000-0.0000 0.6124 ( 200 PWs) bands (ev): 3.4066 3.4066 5.9800 5.9800 6.1219 6.1219 7.8570 7.8570 21.9501 21.9501 24.3153 24.3153 k = 0.4954 0.0080 0.6124 ( 200 PWs) bands (ev): 3.4020 3.4020 5.9442 5.9442 6.1575 6.1575 7.8673 7.8673 21.9323 21.9323 24.1141 24.1141 k = 0.4907 0.0160 0.6124 ( 199 PWs) bands (ev): 3.3896 3.3896 5.8789 5.8789 6.2189 6.2189 7.9012 7.9012 21.8763 21.8763 23.9015 23.9015 k = 0.4861 0.0241 0.6124 ( 195 PWs) bands (ev): 3.3711 3.3711 5.8097 5.8097 6.2761 6.2761 7.9596 7.9596 21.7731 21.7731 23.7152 23.7152 k = 0.4815 0.0321 0.6124 ( 191 PWs) bands (ev): 3.3479 3.3479 5.7411 5.7411 6.3214 6.3214 8.0454 8.0454 21.6249 21.6249 23.5649 23.5649 k = 0.4769 0.0401 0.6124 ( 191 PWs) bands (ev): 3.3212 3.3212 5.6745 5.6745 6.3527 6.3527 8.1562 8.1562 21.4288 21.4288 23.4424 23.4424 k = 0.4722 0.0481 0.6124 ( 191 PWs) bands (ev): 3.2921 3.2921 5.6104 5.6104 6.3705 6.3705 8.2908 8.2908 21.1955 21.1955 23.3484 23.3484 k = 0.4676 0.0561 0.6124 ( 191 PWs) bands (ev): 3.2614 3.2614 5.5490 5.5490 6.3767 6.3767 8.4464 8.4464 20.9339 20.9339 23.2762 23.2762 k = 0.4630 0.0642 0.6124 ( 189 PWs) bands (ev): 3.2300 3.2300 5.4907 5.4907 6.3736 6.3736 8.6197 8.6197 20.6528 20.6528 23.2244 23.2244 k = 0.4583 0.0722 0.6124 ( 189 PWs) bands (ev): 3.1982 3.1982 5.4349 5.4349 6.3634 6.3634 8.8074 8.8074 20.3574 20.3574 23.1782 23.1782 k = 0.4537 0.0802 0.6124 ( 189 PWs) bands (ev): 3.1666 3.1666 5.3821 5.3821 6.3481 6.3481 9.0070 9.0070 20.0534 20.0534 23.1395 23.1395 k = 0.4491 0.0882 0.6124 ( 189 PWs) bands (ev): 3.1356 3.1356 5.3323 5.3323 6.3293 6.3293 9.2160 9.2160 19.7443 19.7443 23.1058 23.1058 k = 0.4444 0.0962 0.6124 ( 189 PWs) bands (ev): 3.1055 3.1055 5.2854 5.2854 6.3084 6.3084 9.4325 9.4325 19.4329 19.4329 23.0759 23.0759 k = 0.4398 0.1042 0.6124 ( 189 PWs) bands (ev): 3.0765 3.0765 5.2415 5.2415 6.2863 6.2863 9.6547 9.6547 19.1215 19.1215 23.0489 23.0489 k = 0.4352 0.1123 0.6124 ( 189 PWs) bands (ev): 3.0488 3.0488 5.2005 5.2005 6.2639 6.2639 9.8812 9.8812 18.8118 18.8118 23.0242 23.0242 k = 0.4306 0.1203 0.6124 ( 189 PWs) bands (ev): 3.0227 3.0227 5.1626 5.1626 6.2417 6.2417 10.1103 10.1103 18.5055 18.5055 23.0015 23.0015 k = 0.4259 0.1283 0.6124 ( 188 PWs) bands (ev): 2.9984 2.9984 5.1275 5.1275 6.2200 6.2200 10.3439 10.3439 18.2102 18.2102 22.9823 22.9823 k = 0.4213 0.1363 0.6124 ( 188 PWs) bands (ev): 2.9758 2.9758 5.0956 5.0956 6.1995 6.1995 10.5738 10.5738 17.9155 17.9155 22.9631 22.9631 k = 0.4167 0.1443 0.6124 ( 188 PWs) bands (ev): 2.9551 2.9551 5.0667 5.0667 6.1804 6.1804 10.8014 10.8014 17.6292 17.6292 22.9456 22.9456 k = 0.4120 0.1524 0.6124 ( 188 PWs) bands (ev): 2.9363 2.9363 5.0409 5.0409 6.1628 6.1628 11.0246 11.0246 17.3536 17.3536 22.9299 22.9299 k = 0.4074 0.1604 0.6124 ( 188 PWs) bands (ev): 2.9196 2.9196 5.0181 5.0181 6.1469 6.1469 11.2406 11.2406 17.0913 17.0913 22.9160 22.9160 k = 0.4028 0.1684 0.6124 ( 186 PWs) bands (ev): 2.9051 2.9051 4.9984 4.9984 6.1329 6.1329 11.4473 11.4473 16.8468 16.8468 22.9038 22.9038 k = 0.3981 0.1764 0.6124 ( 186 PWs) bands (ev): 2.8927 2.8927 4.9817 4.9817 6.1209 6.1209 11.6378 11.6378 16.6224 16.6224 22.8934 22.8934 k = 0.3935 0.1844 0.6124 ( 186 PWs) bands (ev): 2.8825 2.8825 4.9680 4.9680 6.1110 6.1110 11.8080 11.8080 16.4244 16.4244 22.8849 22.8849 k = 0.3889 0.1925 0.6124 ( 186 PWs) bands (ev): 2.8745 2.8745 4.9573 4.9573 6.1032 6.1032 11.9517 11.9517 16.2592 16.2592 22.8783 22.8783 k = 0.3843 0.2005 0.6124 ( 186 PWs) bands (ev): 2.8688 2.8688 4.9497 4.9497 6.0976 6.0976 12.0618 12.0618 16.1338 16.1338 22.8735 22.8735 k = 0.3796 0.2085 0.6124 ( 186 PWs) bands (ev): 2.8654 2.8654 4.9452 4.9452 6.0943 6.0943 12.1312 12.1312 16.0551 16.0551 22.8706 22.8706 k = 0.3750 0.2165 0.6124 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.3750 0.2165 0.6124 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.3703 0.2138 0.6047 ( 186 PWs) bands (ev): 2.8065 2.8065 5.0285 5.0285 5.9923 5.9923 12.2334 12.2334 16.1077 16.1077 23.2464 23.2464 k = 0.3656 0.2111 0.5971 ( 186 PWs) bands (ev): 2.7350 2.7350 5.1162 5.1162 5.9108 5.9108 12.3144 12.3144 16.1901 16.1901 23.6234 23.6234 k = 0.3609 0.2084 0.5894 ( 186 PWs) bands (ev): 2.6497 2.6497 5.2068 5.2068 5.8490 5.8490 12.3980 12.3980 16.2754 16.2754 23.9999 23.9999 k = 0.3563 0.2057 0.5818 ( 186 PWs) bands (ev): 2.5508 2.5508 5.3000 5.3000 5.8067 5.8067 12.4842 12.4842 16.3636 16.3636 24.3752 24.3752 k = 0.3516 0.2030 0.5741 ( 186 PWs) bands (ev): 2.4393 2.4393 5.3956 5.3956 5.7836 5.7836 12.5730 12.5730 16.4547 16.4547 24.7484 24.7484 k = 0.3469 0.2003 0.5664 ( 186 PWs) bands (ev): 2.3162 2.3162 5.4930 5.4930 5.7789 5.7789 12.6642 12.6642 16.5487 16.5487 25.1185 25.1185 k = 0.3422 0.1976 0.5588 ( 186 PWs) bands (ev): 2.1829 2.1829 5.5908 5.5908 5.7928 5.7928 12.7580 12.7580 16.6456 16.6456 25.4841 25.4841 k = 0.3375 0.1949 0.5511 ( 186 PWs) bands (ev): 2.0410 2.0410 5.6855 5.6855 5.8273 5.8273 12.8542 12.8542 16.7454 16.7454 25.8433 25.8433 k = 0.3328 0.1921 0.5435 ( 186 PWs) bands (ev): 1.8918 1.8918 5.7704 5.7704 5.8876 5.8876 12.9527 12.9527 16.8481 16.8481 26.1941 26.1941 k = 0.3281 0.1894 0.5358 ( 186 PWs) bands (ev): 1.7367 1.7367 5.8430 5.8430 5.9750 5.9750 13.0536 13.0536 16.9537 16.9537 26.5335 26.5335 k = 0.3234 0.1867 0.5282 ( 186 PWs) bands (ev): 1.5771 1.5771 5.9120 5.9120 6.0795 6.0795 13.1568 13.1568 17.0621 17.0621 26.8577 26.8577 k = 0.3187 0.1840 0.5205 ( 186 PWs) bands (ev): 1.4139 1.4139 5.9846 5.9846 6.1928 6.1928 13.2622 13.2622 17.1735 17.1735 27.1602 27.1602 k = 0.3141 0.1813 0.5129 ( 186 PWs) bands (ev): 1.2481 1.2481 6.0633 6.0633 6.3116 6.3116 13.3697 13.3697 17.2877 17.2877 27.4051 27.4051 k = 0.3094 0.1786 0.5052 ( 186 PWs) bands (ev): 1.0805 1.0805 6.1484 6.1484 6.4346 6.4346 13.4794 13.4794 17.4048 17.4048 27.3111 27.3111 k = 0.3047 0.1759 0.4976 ( 186 PWs) bands (ev): 0.9117 0.9117 6.2398 6.2398 6.5612 6.5612 13.5910 13.5910 17.5248 17.5248 27.1326 27.1326 k = 0.3000 0.1732 0.4899 ( 186 PWs) bands (ev): 0.7425 0.7425 6.3374 6.3374 6.6913 6.6913 13.7046 13.7046 17.6476 17.6476 26.9536 26.9536 k = 0.2953 0.1705 0.4822 ( 186 PWs) bands (ev): 0.5732 0.5732 6.4406 6.4406 6.8245 6.8245 13.8200 13.8200 17.7732 17.7732 26.7776 26.7776 k = 0.2906 0.1678 0.4746 ( 186 PWs) bands (ev): 0.4042 0.4042 6.5493 6.5493 6.9609 6.9609 13.9372 13.9372 17.9017 17.9017 26.6054 26.6054 k = 0.2859 0.1651 0.4669 ( 184 PWs) bands (ev): 0.2361 0.2361 6.6631 6.6631 7.1003 7.1003 14.0571 14.0571 18.0332 18.0332 26.4491 26.4491 k = 0.2812 0.1624 0.4593 ( 188 PWs) bands (ev): 0.0682 0.0682 6.7815 6.7815 7.2422 7.2422 14.1771 14.1771 18.1664 18.1664 26.2784 26.2784 k = 0.2766 0.1597 0.4516 ( 188 PWs) bands (ev): -0.0977 -0.0977 6.9048 6.9048 7.3876 7.3876 14.2989 14.2989 18.3034 18.3034 26.1189 26.1189 k = 0.2719 0.1570 0.4440 ( 188 PWs) bands (ev): -0.2621 -0.2621 7.0325 7.0325 7.5359 7.5359 14.4220 14.4220 18.4432 18.4432 25.9639 25.9639 k = 0.2672 0.1543 0.4363 ( 188 PWs) bands (ev): -0.4249 -0.4249 7.1644 7.1644 7.6872 7.6872 14.5463 14.5463 18.5858 18.5858 25.8136 25.8136 k = 0.2625 0.1516 0.4287 ( 188 PWs) bands (ev): -0.5857 -0.5857 7.3005 7.3005 7.8414 7.8414 14.6715 14.6715 18.7311 18.7311 25.6683 25.6683 k = 0.2578 0.1488 0.4210 ( 188 PWs) bands (ev): -0.7446 -0.7446 7.4405 7.4405 7.9984 7.9984 14.7976 14.7976 18.8792 18.8792 25.5281 25.5281 k = 0.2531 0.1461 0.4134 ( 180 PWs) bands (ev): -0.9014 -0.9014 7.5855 7.5855 8.1612 8.1612 14.9257 14.9257 19.0400 19.0400 25.4015 25.4015 k = 0.2484 0.1434 0.4057 ( 180 PWs) bands (ev): -1.0561 -1.0561 7.7331 7.7331 8.3240 8.3240 15.0529 15.0529 19.1936 19.1936 25.2719 25.2719 k = 0.2437 0.1407 0.3980 ( 184 PWs) bands (ev): -1.2085 -1.2085 7.8840 7.8840 8.4895 8.4895 15.1793 15.1793 19.3480 19.3480 25.1232 25.1232 k = 0.2391 0.1380 0.3904 ( 184 PWs) bands (ev): -1.3584 -1.3584 8.0388 8.0388 8.6578 8.6578 15.3068 15.3068 19.5070 19.5070 25.0052 25.0052 k = 0.2344 0.1353 0.3827 ( 184 PWs) bands (ev): -1.5059 -1.5059 8.1971 8.1971 8.8289 8.8289 15.4341 15.4341 19.6686 19.6686 24.8932 24.8932 k = 0.2297 0.1326 0.3751 ( 184 PWs) bands (ev): -1.6509 -1.6509 8.3589 8.3589 9.0027 9.0027 15.5610 15.5610 19.8328 19.8328 24.7872 24.7872 k = 0.2250 0.1299 0.3674 ( 184 PWs) bands (ev): -1.7934 -1.7934 8.5239 8.5239 9.1792 9.1792 15.6871 15.6871 19.9996 19.9996 24.6875 24.6875 k = 0.2203 0.1272 0.3598 ( 184 PWs) bands (ev): -1.9332 -1.9332 8.6923 8.6923 9.3583 9.3583 15.8122 15.8122 20.1690 20.1690 24.5936 24.5936 k = 0.2156 0.1245 0.3521 ( 184 PWs) bands (ev): -2.0704 -2.0704 8.8639 8.8639 9.5401 9.5401 15.9359 15.9359 20.3408 20.3408 24.5047 24.5047 k = 0.2109 0.1218 0.3445 ( 184 PWs) bands (ev): -2.2049 -2.2049 9.0387 9.0387 9.7244 9.7244 16.0579 16.0579 20.5152 20.5152 24.4166 24.4166 k = 0.2062 0.1191 0.3368 ( 184 PWs) bands (ev): -2.3367 -2.3367 9.2166 9.2166 9.9112 9.9112 16.1780 16.1780 20.6919 20.6919 24.3178 24.3178 k = 0.2016 0.1164 0.3292 ( 178 PWs) bands (ev): -2.4657 -2.4657 9.3984 9.3984 10.1053 10.1053 16.2973 16.2973 20.8789 20.8789 24.2167 24.2167 k = 0.1969 0.1137 0.3215 ( 178 PWs) bands (ev): -2.5919 -2.5919 9.5824 9.5824 10.2972 10.2972 16.4122 16.4122 21.0602 21.0602 24.0928 24.0928 k = 0.1922 0.1110 0.3138 ( 178 PWs) bands (ev): -2.7154 -2.7154 9.7694 9.7694 10.4915 10.4915 16.5238 16.5238 21.2438 21.2438 23.9688 23.9688 k = 0.1875 0.1083 0.3062 ( 178 PWs) bands (ev): -2.8360 -2.8360 9.9593 9.9593 10.6881 10.6881 16.6320 16.6320 21.4295 21.4295 23.8467 23.8467 k = 0.1828 0.1055 0.2985 ( 178 PWs) bands (ev): -2.9538 -2.9538 10.1521 10.1521 10.8871 10.8871 16.7362 16.7362 21.6171 21.6171 23.7273 23.7273 k = 0.1781 0.1028 0.2909 ( 178 PWs) bands (ev): -3.0688 -3.0688 10.3477 10.3477 11.0882 11.0882 16.8362 16.8362 21.8066 21.8066 23.6111 23.6111 k = 0.1734 0.1001 0.2832 ( 184 PWs) bands (ev): -3.1812 -3.1812 10.5460 10.5460 11.2901 11.2901 16.9311 16.9311 21.9967 21.9967 23.4918 23.4918 k = 0.1688 0.0974 0.2756 ( 184 PWs) bands (ev): -3.2904 -3.2904 10.7470 10.7470 11.4955 11.4955 17.0216 17.0216 22.1892 22.1892 23.3824 23.3824 k = 0.1641 0.0947 0.2679 ( 184 PWs) bands (ev): -3.3966 -3.3966 10.9506 10.9506 11.7028 11.7028 17.1069 17.1069 22.3828 22.3828 23.2767 23.2767 k = 0.1594 0.0920 0.2603 ( 184 PWs) bands (ev): -3.4999 -3.4999 11.1568 11.1568 11.9121 11.9121 17.1869 17.1869 22.5768 22.5768 23.1750 23.1750 k = 0.1547 0.0893 0.2526 ( 180 PWs) bands (ev): -3.6003 -3.6003 11.3657 11.3657 12.1264 12.1264 17.2619 17.2619 22.7700 22.7700 23.0850 23.0850 k = 0.1500 0.0866 0.2449 ( 180 PWs) bands (ev): -3.6978 -3.6978 11.5768 11.5768 12.3392 12.3392 17.3305 17.3305 22.9379 22.9379 23.0174 23.0174 k = 0.1453 0.0839 0.2373 ( 178 PWs) bands (ev): -3.7922 -3.7922 11.7907 11.7907 12.5550 12.5550 17.3933 17.3933 22.8916 22.8916 23.1720 23.1720 k = 0.1406 0.0812 0.2296 ( 178 PWs) bands (ev): -3.8838 -3.8838 12.0063 12.0063 12.7707 12.7707 17.4503 17.4503 22.8070 22.8070 23.3624 23.3624 k = 0.1359 0.0785 0.2220 ( 178 PWs) bands (ev): -3.9724 -3.9724 12.2240 12.2240 12.9877 12.9877 17.5017 17.5017 22.7244 22.7244 23.5515 23.5515 k = 0.1313 0.0758 0.2143 ( 178 PWs) bands (ev): -4.0581 -4.0581 12.4437 12.4437 13.2057 13.2057 17.5476 17.5476 22.6456 22.6456 23.7357 23.7357 k = 0.1266 0.0731 0.2067 ( 178 PWs) bands (ev): -4.1408 -4.1408 12.6652 12.6652 13.4246 13.4246 17.5881 17.5881 22.5709 22.5709 23.8474 23.8474 k = 0.1219 0.0704 0.1990 ( 178 PWs) bands (ev): -4.2205 -4.2205 12.8884 12.8884 13.6442 13.6442 17.6235 17.6235 22.5004 22.5004 23.7682 23.7682 k = 0.1172 0.0677 0.1914 ( 178 PWs) bands (ev): -4.2972 -4.2972 13.1132 13.1132 13.8643 13.8643 17.6541 17.6541 22.4345 22.4345 23.6919 23.6919 k = 0.1125 0.0650 0.1837 ( 174 PWs) bands (ev): -4.3709 -4.3709 13.3406 13.3406 14.0852 14.0852 17.6803 17.6803 22.3752 22.3752 23.6189 23.6189 k = 0.1078 0.0622 0.1761 ( 174 PWs) bands (ev): -4.4416 -4.4416 13.5679 13.5679 14.3052 14.3052 17.7023 17.7023 22.3189 22.3189 23.5486 23.5486 k = 0.1031 0.0595 0.1684 ( 174 PWs) bands (ev): -4.5094 -4.5094 13.7961 13.7961 14.5247 14.5247 17.7206 17.7206 22.2678 22.2678 23.4813 23.4813 k = 0.0984 0.0568 0.1607 ( 174 PWs) bands (ev): -4.5742 -4.5742 14.0249 14.0249 14.7432 14.7432 17.7355 17.7355 22.2220 22.2220 23.4170 23.4170 k = 0.0938 0.0541 0.1531 ( 174 PWs) bands (ev): -4.6359 -4.6359 14.2539 14.2539 14.9604 14.9604 17.7473 17.7473 22.1819 22.1819 23.3557 23.3557 k = 0.0891 0.0514 0.1454 ( 174 PWs) bands (ev): -4.6947 -4.6947 14.4828 14.4828 15.1757 15.1757 17.7566 17.7566 22.1479 22.1479 23.2974 23.2974 k = 0.0844 0.0487 0.1378 ( 174 PWs) bands (ev): -4.7505 -4.7505 14.7112 14.7112 15.3886 15.3886 17.7636 17.7636 22.1201 22.1201 23.2421 23.2421 k = 0.0797 0.0460 0.1301 ( 174 PWs) bands (ev): -4.8032 -4.8032 14.9385 14.9385 15.5984 15.5984 17.7688 17.7688 22.0991 22.0991 23.1898 23.1898 k = 0.0750 0.0433 0.1225 ( 174 PWs) bands (ev): -4.8530 -4.8530 15.1642 15.1642 15.8045 15.8045 17.7724 17.7724 22.0853 22.0853 23.1404 23.1404 k = 0.0703 0.0406 0.1148 ( 174 PWs) bands (ev): -4.8997 -4.8997 15.3874 15.3874 16.0062 16.0062 17.7750 17.7750 22.0790 22.0790 23.0941 23.0941 k = 0.0656 0.0379 0.1072 ( 174 PWs) bands (ev): -4.9435 -4.9435 15.6074 15.6074 16.2026 16.2026 17.7768 17.7768 22.0808 22.0808 23.0507 23.0507 k = 0.0609 0.0352 0.0995 ( 174 PWs) bands (ev): -4.9842 -4.9842 15.8230 15.8230 16.3928 16.3928 17.7782 17.7782 22.0910 22.0910 23.0103 23.0103 k = 0.0563 0.0325 0.0919 ( 174 PWs) bands (ev): -5.0219 -5.0219 16.0329 16.0329 16.5761 16.5761 17.7797 17.7797 22.1102 22.1102 22.9730 22.9730 k = 0.0516 0.0298 0.0842 ( 174 PWs) bands (ev): -5.0566 -5.0566 16.2356 16.2356 16.7515 16.7515 17.7816 17.7816 22.1387 22.1387 22.9386 22.9386 k = 0.0469 0.0271 0.0765 ( 174 PWs) bands (ev): -5.0883 -5.0883 16.4290 16.4290 16.9183 16.9183 17.7844 17.7844 22.1767 22.1767 22.9072 22.9072 k = 0.0422 0.0244 0.0689 ( 174 PWs) bands (ev): -5.1170 -5.1170 16.6107 16.6107 17.0757 17.0757 17.7887 17.7887 22.2243 22.2243 22.8788 22.8788 k = 0.0375 0.0217 0.0612 ( 174 PWs) bands (ev): -5.1426 -5.1426 16.7781 16.7781 17.2231 17.2231 17.7949 17.7949 22.2810 22.2810 22.8534 22.8534 k = 0.0328 0.0189 0.0536 ( 170 PWs) bands (ev): -5.1652 -5.1652 16.9282 16.9282 17.3611 17.3611 17.8039 17.8039 22.3567 22.3567 22.8482 22.8482 k = 0.0281 0.0162 0.0459 ( 170 PWs) bands (ev): -5.1848 -5.1848 17.0575 17.0575 17.4866 17.4866 17.8155 17.8155 22.4295 22.4295 22.8287 22.8287 k = 0.0234 0.0135 0.0383 ( 170 PWs) bands (ev): -5.2014 -5.2014 17.1640 17.1640 17.5995 17.5995 17.8299 17.8299 22.5067 22.5067 22.8122 22.8122 k = 0.0187 0.0108 0.0306 ( 170 PWs) bands (ev): -5.2150 -5.2150 17.2471 17.2471 17.6980 17.6980 17.8463 17.8463 22.5846 22.5846 22.7987 22.7987 k = 0.0141 0.0081 0.0230 ( 169 PWs) bands (ev): -5.2256 -5.2256 17.3079 17.3079 17.7794 17.7794 17.8630 17.8630 22.6576 22.6576 22.7882 22.7882 k = 0.0094 0.0054 0.0153 ( 169 PWs) bands (ev): -5.2331 -5.2331 17.3483 17.3483 17.8402 17.8402 17.8775 17.8775 22.7188 22.7188 22.7807 22.7807 k = 0.0047 0.0027 0.0077 ( 169 PWs) bands (ev): -5.2376 -5.2376 17.3713 17.3713 17.8780 17.8780 17.8873 17.8873 22.7600 22.7600 22.7762 22.7762 k = 0.0000 0.0000 0.0000 ( 169 PWs) bands (ev): -5.2391 -5.2391 17.3787 17.3787 17.8908 17.8908 17.8908 17.8908 22.7747 22.7747 22.7747 22.7747 k = 0.0000 0.0000 0.0000 ( 169 PWs) bands (ev): -5.2391 -5.2391 17.3787 17.3787 17.8908 17.8908 17.8908 17.8908 22.7747 22.7747 22.7747 22.7747 k = 0.0076 0.0044 0.0031 ( 169 PWs) bands (ev): -5.2377 -5.2377 17.3714 17.3714 17.8777 17.8777 17.8880 17.8880 22.7635 22.7635 22.7793 22.7793 k = 0.0152 0.0087 0.0062 ( 169 PWs) bands (ev): -5.2332 -5.2332 17.3485 17.3485 17.8397 17.8397 17.8797 17.8797 22.7315 22.7315 22.7928 22.7928 k = 0.0227 0.0131 0.0093 ( 169 PWs) bands (ev): -5.2258 -5.2258 17.3068 17.3068 17.7819 17.7819 17.8659 17.8659 22.6833 22.6833 22.8153 22.8154 k = 0.0303 0.0175 0.0124 ( 169 PWs) bands (ev): -5.2155 -5.2155 17.2407 17.2407 17.7120 17.7120 17.8468 17.8468 22.6242 22.6242 22.8464 22.8464 k = 0.0379 0.0219 0.0155 ( 172 PWs) bands (ev): -5.2022 -5.2022 17.1432 17.1432 17.6392 17.6392 17.8225 17.8225 22.5528 22.5528 22.8775 22.8775 k = 0.0455 0.0262 0.0186 ( 172 PWs) bands (ev): -5.1860 -5.1860 17.0115 17.0115 17.5715 17.5715 17.7937 17.7937 22.4849 22.4849 22.9249 22.9249 k = 0.0530 0.0306 0.0216 ( 172 PWs) bands (ev): -5.1668 -5.1668 16.8464 16.8464 17.5104 17.5104 17.7606 17.7606 22.4161 22.4161 22.9797 22.9797 k = 0.0606 0.0350 0.0247 ( 172 PWs) bands (ev): -5.1446 -5.1446 16.6530 16.6530 17.4545 17.4545 17.7234 17.7234 22.3475 22.3475 23.0413 23.0413 k = 0.0682 0.0394 0.0278 ( 172 PWs) bands (ev): -5.1195 -5.1195 16.4368 16.4368 17.4015 17.4015 17.6827 17.6827 22.2800 22.2800 23.1092 23.1092 k = 0.0758 0.0437 0.0309 ( 172 PWs) bands (ev): -5.0914 -5.0914 16.2024 16.2024 17.3497 17.3497 17.6388 17.6388 22.2138 22.2138 23.1826 23.1826 k = 0.0833 0.0481 0.0340 ( 172 PWs) bands (ev): -5.0603 -5.0603 15.9535 15.9535 17.2979 17.2979 17.5921 17.5921 22.1490 22.1490 23.2607 23.2607 k = 0.0909 0.0525 0.0371 ( 172 PWs) bands (ev): -5.0264 -5.0264 15.6931 15.6931 17.2456 17.2456 17.5429 17.5429 22.0857 22.0857 23.3426 23.3426 k = 0.0985 0.0569 0.0402 ( 172 PWs) bands (ev): -4.9894 -4.9894 15.4233 15.4233 17.1927 17.1927 17.4918 17.4918 22.0239 22.0239 23.4273 23.4273 k = 0.1061 0.0612 0.0433 ( 172 PWs) bands (ev): -4.9495 -4.9495 15.1462 15.1462 17.1389 17.1389 17.4389 17.4389 21.9635 21.9635 23.5137 23.5137 k = 0.1136 0.0656 0.0464 ( 172 PWs) bands (ev): -4.9067 -4.9067 14.8631 14.8631 17.0844 17.0844 17.3847 17.3847 21.9046 21.9046 23.6003 23.6003 k = 0.1212 0.0700 0.0495 ( 172 PWs) bands (ev): -4.8609 -4.8609 14.5754 14.5754 17.0293 17.0293 17.3294 17.3294 21.8472 21.8472 23.6856 23.6856 k = 0.1288 0.0744 0.0526 ( 172 PWs) bands (ev): -4.8122 -4.8122 14.2840 14.2840 16.9738 16.9738 17.2733 17.2733 21.7912 21.7912 23.7679 23.7679 k = 0.1364 0.0787 0.0557 ( 172 PWs) bands (ev): -4.7605 -4.7605 13.9899 13.9899 16.9179 16.9179 17.2167 17.2167 21.7368 21.7368 23.8451 23.8451 k = 0.1439 0.0831 0.0588 ( 172 PWs) bands (ev): -4.7059 -4.7059 13.6939 13.6939 16.8618 16.8618 17.1599 17.1599 21.6839 21.6839 23.9149 23.9149 k = 0.1515 0.0875 0.0619 ( 172 PWs) bands (ev): -4.6484 -4.6484 13.3964 13.3964 16.8058 16.8058 17.1030 17.1030 21.6325 21.6325 23.9748 23.9748 k = 0.1591 0.0919 0.0649 ( 172 PWs) bands (ev): -4.5879 -4.5879 13.0981 13.0981 16.7499 16.7499 17.0462 17.0462 21.5827 21.5827 24.0223 24.0223 k = 0.1667 0.0962 0.0680 ( 172 PWs) bands (ev): -4.5245 -4.5245 12.7994 12.7994 16.6943 16.6943 16.9898 16.9898 21.5346 21.5346 24.0551 24.0551 k = 0.1742 0.1006 0.0711 ( 172 PWs) bands (ev): -4.4582 -4.4582 12.5006 12.5006 16.6392 16.6392 16.9338 16.9338 21.4882 21.4882 24.0714 24.0714 k = 0.1818 0.1050 0.0742 ( 172 PWs) bands (ev): -4.3889 -4.3889 12.2023 12.2023 16.5847 16.5847 16.8785 16.8785 21.4436 21.4436 24.0701 24.0701 k = 0.1894 0.1093 0.0773 ( 172 PWs) bands (ev): -4.3167 -4.3167 11.9045 11.9045 16.5308 16.5308 16.8239 16.8239 21.4006 21.4006 24.0513 24.0513 k = 0.1970 0.1137 0.0804 ( 172 PWs) bands (ev): -4.2416 -4.2416 11.6077 11.6077 16.4778 16.4778 16.7701 16.7701 21.3595 21.3595 24.0157 24.0157 k = 0.2045 0.1181 0.0835 ( 178 PWs) bands (ev): -4.1637 -4.1637 11.3083 11.3083 16.4252 16.4252 16.7169 16.7169 21.3086 21.3086 23.9631 23.9631 k = 0.2121 0.1225 0.0866 ( 178 PWs) bands (ev): -4.0828 -4.0828 11.0140 11.0140 16.3740 16.3740 16.6652 16.6652 21.2712 21.2712 23.8992 23.8992 k = 0.2197 0.1268 0.0897 ( 178 PWs) bands (ev): -3.9990 -3.9990 10.7211 10.7211 16.3239 16.3239 16.6146 16.6146 21.2356 21.2356 23.8245 23.8245 k = 0.2273 0.1312 0.0928 ( 178 PWs) bands (ev): -3.9123 -3.9123 10.4300 10.4300 16.2749 16.2749 16.5652 16.5652 21.2019 21.2019 23.7411 23.7411 k = 0.2348 0.1356 0.0959 ( 178 PWs) bands (ev): -3.8227 -3.8227 10.1406 10.1406 16.2271 16.2271 16.5170 16.5170 21.1701 21.1701 23.6511 23.6511 k = 0.2424 0.1400 0.0990 ( 180 PWs) bands (ev): -3.7303 -3.7303 9.8503 9.8503 16.1805 16.1805 16.4701 16.4701 21.1314 21.1314 23.5561 23.5561 k = 0.2500 0.1443 0.1021 ( 180 PWs) bands (ev): -3.6350 -3.6350 9.5651 9.5651 16.1352 16.1352 16.4246 16.4246 21.1032 21.1032 23.4577 23.4577 k = 0.2576 0.1487 0.1052 ( 180 PWs) bands (ev): -3.5368 -3.5368 9.2820 9.2820 16.0912 16.0912 16.3805 16.3805 21.0770 21.0770 23.3570 23.3570 k = 0.2652 0.1531 0.1082 ( 180 PWs) bands (ev): -3.4359 -3.4359 9.0011 9.0011 16.0486 16.0486 16.3378 16.3378 21.0528 21.0528 23.2551 23.2551 k = 0.2727 0.1575 0.1113 ( 186 PWs) bands (ev): -3.3321 -3.3321 8.7224 8.7224 16.0062 16.0062 16.2953 16.2953 21.0303 21.0303 23.1464 23.1464 k = 0.2803 0.1618 0.1144 ( 186 PWs) bands (ev): -3.2256 -3.2256 8.4464 8.4464 15.9664 15.9664 16.2555 16.2555 21.0099 21.0099 23.0444 23.0444 k = 0.2879 0.1662 0.1175 ( 186 PWs) bands (ev): -3.1162 -3.1162 8.1730 8.1730 15.9281 15.9281 16.2173 16.2173 20.9914 20.9914 22.9433 22.9433 k = 0.2955 0.1706 0.1206 ( 186 PWs) bands (ev): -3.0041 -3.0041 7.9022 7.9022 15.8912 15.8912 16.1805 16.1805 20.9748 20.9748 22.8434 22.8434 k = 0.3030 0.1750 0.1237 ( 183 PWs) bands (ev): -2.8891 -2.8891 7.6343 7.6343 15.8557 15.8557 16.1453 16.1453 20.9640 20.9640 22.7487 22.7487 k = 0.3106 0.1793 0.1268 ( 183 PWs) bands (ev): -2.7716 -2.7716 7.3690 7.3690 15.8217 15.8217 16.1115 16.1115 20.9510 20.9510 22.6527 22.6527 k = 0.3182 0.1837 0.1299 ( 183 PWs) bands (ev): -2.6515 -2.6515 7.1066 7.1066 15.7892 15.7892 16.0792 16.0792 20.9399 20.9399 22.5590 22.5590 k = 0.3258 0.1881 0.1330 ( 183 PWs) bands (ev): -2.5287 -2.5287 6.8471 6.8471 15.7581 15.7581 16.0485 16.0485 20.9305 20.9305 22.4679 22.4679 k = 0.3333 0.1925 0.1361 ( 183 PWs) bands (ev): -2.4035 -2.4035 6.5907 6.5907 15.7285 15.7285 16.0192 16.0192 20.9228 20.9228 22.3795 22.3795 k = 0.3409 0.1968 0.1392 ( 183 PWs) bands (ev): -2.2757 -2.2757 6.3375 6.3375 15.7003 15.7003 15.9914 15.9914 20.9167 20.9167 22.2942 22.2942 k = 0.3485 0.2012 0.1423 ( 183 PWs) bands (ev): -2.1455 -2.1455 6.0875 6.0875 15.6736 15.6736 15.9651 15.9651 20.9122 20.9122 22.2120 22.2120 k = 0.3561 0.2056 0.1454 ( 183 PWs) bands (ev): -2.0131 -2.0131 5.8409 5.8409 15.6483 15.6483 15.9402 15.9402 20.9092 20.9092 22.1331 22.1331 k = 0.3636 0.2099 0.1485 ( 183 PWs) bands (ev): -1.8784 -1.8784 5.5978 5.5978 15.6244 15.6244 15.9167 15.9167 20.9077 20.9077 22.0577 22.0577 k = 0.3712 0.2143 0.1515 ( 183 PWs) bands (ev): -1.7416 -1.7416 5.3583 5.3583 15.6019 15.6019 15.8947 15.8947 20.9074 20.9074 21.9857 21.9857 k = 0.3788 0.2187 0.1546 ( 183 PWs) bands (ev): -1.6029 -1.6029 5.1227 5.1227 15.5808 15.5808 15.8740 15.8740 20.9084 20.9084 21.9174 21.9174 k = 0.3864 0.2231 0.1577 ( 183 PWs) bands (ev): -1.4625 -1.4625 4.8912 4.8912 15.5612 15.5612 15.8548 15.8548 20.9104 20.9104 21.8529 21.8529 k = 0.3939 0.2274 0.1608 ( 183 PWs) bands (ev): -1.3206 -1.3206 4.6640 4.6640 15.5428 15.5428 15.8369 15.8369 20.9135 20.9135 21.7921 21.7921 k = 0.4015 0.2318 0.1639 ( 177 PWs) bands (ev): -1.1773 -1.1773 4.4414 4.4414 15.5260 15.5260 15.8205 15.8205 20.9179 20.9179 21.7474 21.7474 k = 0.4091 0.2362 0.1670 ( 177 PWs) bands (ev): -1.0334 -1.0334 4.2238 4.2238 15.5104 15.5104 15.8053 15.8053 20.9226 20.9226 21.6944 21.6945 k = 0.4167 0.2406 0.1701 ( 177 PWs) bands (ev): -0.8892 -0.8892 4.0118 4.0118 15.4961 15.4961 15.7914 15.7914 20.9278 20.9278 21.6458 21.6498 k = 0.4242 0.2449 0.1732 ( 183 PWs) bands (ev): -0.7454 -0.7454 3.8059 3.8059 15.4828 15.4828 15.7785 15.7785 20.9326 20.9326 21.5871 21.5900 k = 0.4318 0.2493 0.1763 ( 180 PWs) bands (ev): -0.6018 -0.6018 3.6072 3.6072 15.4711 15.4711 15.7671 15.7671 20.9528 20.9528 21.5478 21.5490 k = 0.4394 0.2537 0.1794 ( 180 PWs) bands (ev): -0.4613 -0.4613 3.4165 3.4165 15.4606 15.4606 15.7570 15.7570 20.9586 20.9586 21.5106 21.5122 k = 0.4470 0.2581 0.1825 ( 180 PWs) bands (ev): -0.3246 -0.3246 3.2354 3.2354 15.4515 15.4515 15.7482 15.7482 20.9642 20.9642 21.4783 21.4797 k = 0.4545 0.2624 0.1856 ( 180 PWs) bands (ev): -0.1935 -0.1935 3.0659 3.0659 15.4435 15.4435 15.7405 15.7405 20.9695 20.9695 21.4498 21.4507 k = 0.4621 0.2668 0.1887 ( 180 PWs) bands (ev): -0.0708 -0.0708 2.9107 2.9107 15.4369 15.4369 15.7340 15.7340 20.9743 20.9743 21.4260 21.4267 k = 0.4697 0.2712 0.1918 ( 180 PWs) bands (ev): 0.0401 0.0401 2.7732 2.7732 15.4314 15.4314 15.7288 15.7288 20.9785 20.9785 21.4066 21.4066 k = 0.4773 0.2756 0.1948 ( 180 PWs) bands (ev): 0.1348 0.1348 2.6578 2.6578 15.4272 15.4272 15.7247 15.7247 20.9819 20.9819 21.3911 21.3913 k = 0.4848 0.2799 0.1979 ( 180 PWs) bands (ev): 0.2081 0.2081 2.5697 2.5697 15.4242 15.4242 15.7218 15.7218 20.9844 20.9844 21.3801 21.3802 k = 0.4924 0.2843 0.2010 ( 180 PWs) bands (ev): 0.2549 0.2549 2.5140 2.5140 15.4223 15.4223 15.7200 15.7200 20.9860 20.9860 21.3736 21.3736 k = 0.5000 0.2887 0.2041 ( 180 PWs) bands (ev): 0.2710 0.2710 2.4949 2.4949 15.4217 15.4217 15.7195 15.7195 20.9865 20.9865 21.3714 21.3714 k = 0.5000 0.2887 0.2041 ( 180 PWs) bands (ev): 0.2710 0.2710 2.4949 2.4949 15.4217 15.4217 15.7195 15.7195 20.9865 20.9865 21.3714 21.3714 k = 0.5027 0.2810 0.2085 ( 180 PWs) bands (ev): 0.2724 0.2724 2.4964 2.4964 15.4109 15.4109 15.7081 15.7081 20.9992 20.9992 21.3442 21.3442 k = 0.5053 0.2733 0.2128 ( 180 PWs) bands (ev): 0.2766 0.2766 2.5009 2.5009 15.3772 15.3772 15.6758 15.6758 21.0329 21.0329 21.2726 21.2726 k = 0.5080 0.2656 0.2172 ( 180 PWs) bands (ev): 0.2835 0.2835 2.5083 2.5083 15.3179 15.3179 15.6275 15.6275 21.0491 21.0491 21.2071 21.2071 k = 0.5106 0.2580 0.2215 ( 180 PWs) bands (ev): 0.2932 0.2932 2.5187 2.5187 15.2296 15.2296 15.5694 15.5694 20.9535 20.9535 21.2533 21.2533 k = 0.5133 0.2503 0.2258 ( 180 PWs) bands (ev): 0.3057 0.3057 2.5320 2.5320 15.1112 15.1112 15.5062 15.5062 20.8034 20.8034 21.3613 21.3613 k = 0.5160 0.2426 0.2302 ( 178 PWs) bands (ev): 0.3210 0.3210 2.5483 2.5483 14.9650 14.9650 15.4397 15.4397 20.6424 20.6424 21.4969 21.4969 k = 0.5186 0.2349 0.2345 ( 178 PWs) bands (ev): 0.3391 0.3391 2.5676 2.5676 14.7947 14.7947 15.3698 15.3698 20.4713 20.4713 21.6485 21.6485 k = 0.5213 0.2273 0.2389 ( 178 PWs) bands (ev): 0.3599 0.3599 2.5898 2.5898 14.6045 14.6045 15.2963 15.2963 20.2985 20.2985 21.8122 21.8123 k = 0.5239 0.2196 0.2432 ( 178 PWs) bands (ev): 0.3835 0.3835 2.6150 2.6150 14.3980 14.3980 15.2189 15.2189 20.1260 20.1260 21.9667 21.9667 k = 0.5266 0.2119 0.2476 ( 178 PWs) bands (ev): 0.4098 0.4098 2.6431 2.6431 14.1783 14.1783 15.1377 15.1377 19.9551 19.9551 22.1033 22.1033 k = 0.5293 0.2042 0.2519 ( 178 PWs) bands (ev): 0.4389 0.4389 2.6743 2.6743 13.9458 13.9458 15.0520 15.0520 19.7875 19.7875 22.2442 22.2442 k = 0.5319 0.1965 0.2562 ( 178 PWs) bands (ev): 0.4707 0.4707 2.7083 2.7083 13.7064 13.7064 14.9640 14.9640 19.6221 19.6221 22.3961 22.3961 k = 0.5346 0.1889 0.2606 ( 180 PWs) bands (ev): 0.5053 0.5053 2.7452 2.7452 13.4596 13.4596 14.8734 14.8734 19.4551 19.4551 22.5558 22.5558 k = 0.5372 0.1812 0.2649 ( 180 PWs) bands (ev): 0.5426 0.5426 2.7851 2.7851 13.2074 13.2074 14.7805 14.7805 19.2966 19.2966 22.7246 22.7246 k = 0.5399 0.1735 0.2693 ( 180 PWs) bands (ev): 0.5826 0.5826 2.8279 2.8279 12.9508 12.9508 14.6858 14.6858 19.1418 19.1418 22.9010 22.9010 k = 0.5426 0.1658 0.2736 ( 182 PWs) bands (ev): 0.6254 0.6254 2.8735 2.8735 12.6904 12.6904 14.5890 14.5890 18.9904 18.9904 23.0772 23.0772 k = 0.5452 0.1582 0.2780 ( 182 PWs) bands (ev): 0.6709 0.6709 2.9221 2.9221 12.4274 12.4274 14.4920 14.4920 18.8430 18.8430 23.2675 23.2675 k = 0.5479 0.1505 0.2823 ( 182 PWs) bands (ev): 0.7190 0.7190 2.9736 2.9736 12.1625 12.1625 14.3943 14.3943 18.6992 18.6992 23.4641 23.4641 k = 0.5505 0.1428 0.2866 ( 182 PWs) bands (ev): 0.7699 0.7699 3.0280 3.0280 11.8961 11.8961 14.2964 14.2964 18.5592 18.5592 23.6666 23.6666 k = 0.5532 0.1351 0.2910 ( 182 PWs) bands (ev): 0.8234 0.8234 3.0852 3.0852 11.6289 11.6289 14.1985 14.1985 18.4228 18.4228 23.8747 23.8747 k = 0.5559 0.1274 0.2953 ( 182 PWs) bands (ev): 0.8796 0.8796 3.1452 3.1452 11.3613 11.3613 14.1009 14.1009 18.2901 18.2901 24.0880 24.0880 k = 0.5585 0.1198 0.2997 ( 182 PWs) bands (ev): 0.9384 0.9384 3.2081 3.2081 11.0938 11.0938 14.0038 14.0038 18.1610 18.1610 24.3063 24.3063 k = 0.5612 0.1121 0.3040 ( 184 PWs) bands (ev): 0.9997 0.9997 3.2738 3.2738 10.8249 10.8249 13.9074 13.9074 18.0330 18.0330 24.5264 24.5264 k = 0.5638 0.1044 0.3084 ( 184 PWs) bands (ev): 1.0637 1.0637 3.3422 3.3422 10.5585 10.5585 13.8121 13.8121 17.9111 17.9111 24.7535 24.7535 k = 0.5665 0.0967 0.3127 ( 182 PWs) bands (ev): 1.1302 1.1302 3.4138 3.4138 10.2933 10.2933 13.7181 13.7181 17.7932 17.7932 24.9883 24.9883 k = 0.5691 0.0891 0.3170 ( 182 PWs) bands (ev): 1.1992 1.1992 3.4877 3.4877 10.0294 10.0294 13.6253 13.6253 17.6783 17.6783 25.2220 25.2220 k = 0.5718 0.0814 0.3214 ( 182 PWs) bands (ev): 1.2706 1.2706 3.5643 3.5643 9.7671 9.7671 13.5340 13.5340 17.5669 17.5669 25.4562 25.4562 k = 0.5745 0.0737 0.3257 ( 182 PWs) bands (ev): 1.3444 1.3444 3.6435 3.6435 9.5068 9.5068 13.4443 13.4443 17.4590 17.4590 25.6760 25.6760 k = 0.5771 0.0660 0.3301 ( 182 PWs) bands (ev): 1.4205 1.4205 3.7253 3.7253 9.2487 9.2487 13.3563 13.3563 17.3544 17.3544 25.8108 25.8108 k = 0.5798 0.0583 0.3344 ( 182 PWs) bands (ev): 1.4989 1.4989 3.8096 3.8096 8.9931 8.9931 13.2701 13.2701 17.2532 17.2532 25.8594 25.8594 k = 0.5824 0.0507 0.3388 ( 180 PWs) bands (ev): 1.5795 1.5795 3.8966 3.8966 8.7403 8.7403 13.1859 13.1859 17.1562 17.1562 25.8528 25.8528 k = 0.5851 0.0430 0.3431 ( 180 PWs) bands (ev): 1.6621 1.6621 3.9856 3.9856 8.4906 8.4906 13.1037 13.1037 17.0617 17.0617 25.7937 25.7937 k = 0.5878 0.0353 0.3474 ( 182 PWs) bands (ev): 1.7466 1.7466 4.0766 4.0766 8.2442 8.2442 13.0229 13.0229 16.9692 16.9692 25.6888 25.6888 k = 0.5904 0.0276 0.3518 ( 182 PWs) bands (ev): 1.8328 1.8328 4.1697 4.1697 8.0019 8.0019 12.9450 12.9450 16.8814 16.8814 25.5518 25.5518 k = 0.5931 0.0200 0.3561 ( 182 PWs) bands (ev): 1.9206 1.9206 4.2643 4.2643 7.7642 7.7642 12.8694 12.8694 16.7968 16.7968 25.3892 25.3892 k = 0.5957 0.0123 0.3605 ( 183 PWs) bands (ev): 2.0096 2.0096 4.3603 4.3603 7.5315 7.5315 12.7960 12.7960 16.7144 16.7144 25.2073 25.2073 k = 0.5984 0.0046 0.3648 ( 183 PWs) bands (ev): 2.0997 2.0997 4.4570 4.4570 7.3050 7.3050 12.7251 12.7251 16.6363 16.6363 25.0133 25.0133 k = 0.6011-0.0031 0.3692 ( 185 PWs) bands (ev): 2.1903 2.1903 4.5538 4.5538 7.0840 7.0840 12.6565 12.6565 16.5583 16.5583 24.8075 24.8075 k = 0.6037-0.0107 0.3735 ( 185 PWs) bands (ev): 2.2811 2.2811 4.6495 4.6495 6.8736 6.8736 12.5904 12.5904 16.4867 16.4867 24.5983 24.5983 k = 0.6064-0.0184 0.3778 ( 185 PWs) bands (ev): 2.3712 2.3712 4.7424 4.7424 6.6747 6.6747 12.5268 12.5268 16.4184 16.4184 24.3851 24.3851 k = 0.6090-0.0261 0.3822 ( 185 PWs) bands (ev): 2.4599 2.4599 4.8298 4.8298 6.4906 6.4906 12.4658 12.4658 16.3533 16.3533 24.1693 24.1693 k = 0.6117-0.0338 0.3865 ( 185 PWs) bands (ev): 2.5460 2.5460 4.9074 4.9074 6.3269 6.3269 12.4074 12.4074 16.2914 16.2914 23.9522 23.9522 k = 0.6144-0.0415 0.3909 ( 186 PWs) bands (ev): 2.6279 2.6279 4.9688 4.9688 6.1915 6.1915 12.3515 12.3515 16.2309 16.2309 23.7343 23.7343 k = 0.6170-0.0491 0.3952 ( 186 PWs) bands (ev): 2.7037 2.7037 5.0058 5.0058 6.0948 6.0948 12.2984 12.2984 16.1755 16.1755 23.5167 23.5167 k = 0.6197-0.0568 0.3996 ( 186 PWs) bands (ev): 2.7708 2.7708 5.0115 5.0115 6.0463 6.0463 12.2479 12.2479 16.1232 16.1232 23.2999 23.2999 k = 0.6223-0.0645 0.4039 ( 186 PWs) bands (ev): 2.8256 2.8256 4.9869 4.9869 6.0482 6.0482 12.2001 12.2001 16.0741 16.0741 23.0841 23.0841 k = 0.6250-0.0722 0.4082 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.6250-0.0722 0.4082 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.6204-0.0695 0.4158 ( 186 PWs) bands (ev): 2.8654 2.8654 4.9452 4.9452 6.0943 6.0943 12.1312 12.1312 16.0551 16.0551 22.8706 22.8706 k = 0.6157-0.0668 0.4234 ( 186 PWs) bands (ev): 2.8688 2.8688 4.9497 4.9497 6.0976 6.0976 12.0618 12.0618 16.1338 16.1338 22.8735 22.8735 k = 0.6111-0.0642 0.4309 ( 186 PWs) bands (ev): 2.8745 2.8745 4.9573 4.9573 6.1032 6.1032 11.9517 11.9517 16.2592 16.2592 22.8783 22.8783 k = 0.6065-0.0615 0.4385 ( 186 PWs) bands (ev): 2.8825 2.8825 4.9680 4.9680 6.1110 6.1110 11.8080 11.8080 16.4244 16.4244 22.8849 22.8849 k = 0.6019-0.0588 0.4460 ( 186 PWs) bands (ev): 2.8927 2.8927 4.9817 4.9817 6.1209 6.1209 11.6378 11.6378 16.6224 16.6224 22.8934 22.8934 k = 0.5972-0.0561 0.4536 ( 186 PWs) bands (ev): 2.9051 2.9051 4.9984 4.9984 6.1329 6.1329 11.4473 11.4473 16.8468 16.8468 22.9038 22.9038 k = 0.5926-0.0535 0.4612 ( 188 PWs) bands (ev): 2.9196 2.9196 5.0181 5.0181 6.1469 6.1469 11.2406 11.2406 17.0913 17.0913 22.9160 22.9160 k = 0.5880-0.0508 0.4687 ( 188 PWs) bands (ev): 2.9363 2.9363 5.0409 5.0409 6.1628 6.1628 11.0246 11.0246 17.3536 17.3536 22.9299 22.9299 k = 0.5833-0.0481 0.4763 ( 188 PWs) bands (ev): 2.9551 2.9551 5.0667 5.0667 6.1804 6.1804 10.8014 10.8014 17.6292 17.6292 22.9456 22.9456 k = 0.5787-0.0454 0.4838 ( 188 PWs) bands (ev): 2.9758 2.9758 5.0956 5.0956 6.1995 6.1995 10.5738 10.5738 17.9155 17.9155 22.9631 22.9631 k = 0.5741-0.0428 0.4914 ( 188 PWs) bands (ev): 2.9984 2.9984 5.1275 5.1275 6.2200 6.2200 10.3439 10.3439 18.2102 18.2102 22.9823 22.9823 k = 0.5694-0.0401 0.4990 ( 189 PWs) bands (ev): 3.0227 3.0227 5.1626 5.1626 6.2417 6.2417 10.1103 10.1103 18.5055 18.5055 23.0015 23.0015 k = 0.5648-0.0374 0.5065 ( 189 PWs) bands (ev): 3.0488 3.0488 5.2005 5.2005 6.2639 6.2639 9.8812 9.8812 18.8118 18.8118 23.0242 23.0242 k = 0.5602-0.0347 0.5141 ( 189 PWs) bands (ev): 3.0765 3.0765 5.2415 5.2415 6.2863 6.2863 9.6547 9.6547 19.1215 19.1215 23.0489 23.0489 k = 0.5556-0.0321 0.5217 ( 189 PWs) bands (ev): 3.1055 3.1055 5.2854 5.2854 6.3084 6.3084 9.4325 9.4325 19.4329 19.4329 23.0759 23.0759 k = 0.5509-0.0294 0.5292 ( 189 PWs) bands (ev): 3.1356 3.1356 5.3323 5.3323 6.3293 6.3293 9.2160 9.2160 19.7443 19.7443 23.1058 23.1058 k = 0.5463-0.0267 0.5368 ( 189 PWs) bands (ev): 3.1666 3.1666 5.3821 5.3821 6.3481 6.3481 9.0070 9.0070 20.0534 20.0534 23.1395 23.1395 k = 0.5417-0.0241 0.5443 ( 189 PWs) bands (ev): 3.1982 3.1982 5.4349 5.4349 6.3634 6.3634 8.8074 8.8074 20.3574 20.3574 23.1782 23.1782 k = 0.5370-0.0214 0.5519 ( 189 PWs) bands (ev): 3.2300 3.2300 5.4907 5.4907 6.3736 6.3736 8.6197 8.6197 20.6528 20.6528 23.2244 23.2244 k = 0.5324-0.0187 0.5595 ( 191 PWs) bands (ev): 3.2614 3.2614 5.5490 5.5490 6.3767 6.3767 8.4464 8.4464 20.9339 20.9339 23.2762 23.2762 k = 0.5278-0.0160 0.5670 ( 191 PWs) bands (ev): 3.2921 3.2921 5.6104 5.6104 6.3705 6.3705 8.2908 8.2908 21.1955 21.1955 23.3484 23.3484 k = 0.5231-0.0134 0.5746 ( 191 PWs) bands (ev): 3.3212 3.3212 5.6745 5.6745 6.3527 6.3527 8.1562 8.1562 21.4288 21.4288 23.4424 23.4424 k = 0.5185-0.0107 0.5821 ( 191 PWs) bands (ev): 3.3479 3.3479 5.7411 5.7411 6.3214 6.3214 8.0454 8.0454 21.6249 21.6249 23.5649 23.5649 k = 0.5139-0.0080 0.5897 ( 195 PWs) bands (ev): 3.3711 3.3711 5.8097 5.8097 6.2761 6.2761 7.9596 7.9596 21.7731 21.7731 23.7152 23.7152 k = 0.5093-0.0053 0.5973 ( 199 PWs) bands (ev): 3.3896 3.3896 5.8789 5.8789 6.2189 6.2189 7.9012 7.9012 21.8763 21.8763 23.9015 23.9015 k = 0.5046-0.0027 0.6048 ( 200 PWs) bands (ev): 3.4020 3.4020 5.9442 5.9442 6.1575 6.1575 7.8673 7.8673 21.9323 21.9323 24.1141 24.1141 k = 0.5000-0.0000 0.6124 ( 200 PWs) bands (ev): 3.4066 3.4066 5.9800 5.9800 6.1219 6.1219 7.8570 7.8570 21.9501 21.9501 24.3153 24.3153 k = 0.5000-0.0000 0.6124 ( 200 PWs) bands (ev): 3.4066 3.4066 5.9800 5.9800 6.1219 6.1219 7.8570 7.8570 21.9501 21.9501 24.3153 24.3153 k = 0.5000 0.0053 0.6048 ( 200 PWs) bands (ev): 3.3984 3.3984 5.9785 5.9785 6.1220 6.1220 7.8722 7.8722 21.9407 21.9407 24.3147 24.3147 k = 0.5000 0.0107 0.5973 ( 196 PWs) bands (ev): 3.3742 3.3742 5.9643 5.9643 6.1330 6.1330 7.9173 7.9173 21.9149 21.9149 24.3004 24.3004 k = 0.5000 0.0160 0.5897 ( 194 PWs) bands (ev): 3.3352 3.3352 5.9234 5.9234 6.1708 6.1708 7.9897 7.9897 21.8747 21.8747 24.2614 24.2614 k = 0.5000 0.0214 0.5821 ( 192 PWs) bands (ev): 3.2831 3.2831 5.8577 5.8577 6.2351 6.2351 8.0828 8.0828 21.8180 21.8180 24.2065 24.2065 k = 0.5000 0.0267 0.5746 ( 192 PWs) bands (ev): 3.2197 3.2197 5.7752 5.7752 6.3204 6.3204 8.1932 8.1932 21.7476 21.7476 24.1350 24.1350 k = 0.5000 0.0321 0.5670 ( 192 PWs) bands (ev): 3.1470 3.1470 5.6817 5.6817 6.4227 6.4227 8.3180 8.3180 21.6679 21.6679 24.0544 24.0544 k = 0.5000 0.0374 0.5595 ( 192 PWs) bands (ev): 3.0671 3.0671 5.5808 5.5808 6.5391 6.5391 8.4543 8.4543 21.5813 21.5813 23.9671 23.9671 k = 0.5000 0.0428 0.5519 ( 192 PWs) bands (ev): 2.9814 2.9814 5.4751 5.4751 6.6675 6.6675 8.6000 8.6000 21.4897 21.4897 23.8751 23.8751 k = 0.5000 0.0481 0.5443 ( 192 PWs) bands (ev): 2.8915 2.8915 5.3664 5.3664 6.8063 6.8063 8.7535 8.7535 21.3945 21.3945 23.7800 23.7800 k = 0.5000 0.0535 0.5368 ( 192 PWs) bands (ev): 2.7986 2.7986 5.2561 5.2561 6.9541 6.9541 8.9135 8.9135 21.2973 21.2973 23.6830 23.6830 k = 0.5000 0.0588 0.5292 ( 188 PWs) bands (ev): 2.7038 2.7038 5.1451 5.1451 7.1103 7.1103 9.0792 9.0792 21.1990 21.1990 23.5937 23.5937 k = 0.5000 0.0642 0.5217 ( 188 PWs) bands (ev): 2.6076 2.6076 5.0341 5.0341 7.2732 7.2732 9.2497 9.2497 21.1004 21.1004 23.4953 23.4953 k = 0.5000 0.0695 0.5141 ( 188 PWs) bands (ev): 2.5108 2.5108 4.9237 4.9237 7.4424 7.4424 9.4245 9.4245 21.0023 21.0023 23.3971 23.3971 k = 0.5000 0.0748 0.5065 ( 188 PWs) bands (ev): 2.4139 2.4139 4.8143 4.8143 7.6174 7.6174 9.6030 9.6030 20.9053 20.9053 23.2995 23.2995 k = 0.5000 0.0802 0.4990 ( 188 PWs) bands (ev): 2.3175 2.3175 4.7062 4.7062 7.7977 7.7977 9.7849 9.7849 20.8098 20.8098 23.2028 23.2028 k = 0.5000 0.0855 0.4914 ( 188 PWs) bands (ev): 2.2218 2.2218 4.5998 4.5998 7.9829 7.9829 9.9699 9.9699 20.7162 20.7162 23.1075 23.1075 k = 0.5000 0.0909 0.4838 ( 186 PWs) bands (ev): 2.1272 2.1272 4.4953 4.4953 8.1732 8.1732 10.1590 10.1590 20.6277 20.6277 23.0145 23.0145 k = 0.5000 0.0962 0.4763 ( 186 PWs) bands (ev): 2.0340 2.0340 4.3927 4.3927 8.3673 8.3673 10.3493 10.3493 20.5390 20.5390 22.9223 22.9223 k = 0.5000 0.1016 0.4687 ( 186 PWs) bands (ev): 1.9423 1.9423 4.2922 4.2922 8.5653 8.5653 10.5417 10.5417 20.4534 20.4534 22.8319 22.8319 k = 0.5000 0.1069 0.4612 ( 186 PWs) bands (ev): 1.8523 1.8523 4.1940 4.1940 8.7672 8.7672 10.7362 10.7362 20.3709 20.3709 22.7434 22.7434 k = 0.5000 0.1123 0.4536 ( 188 PWs) bands (ev): 1.7642 1.7642 4.0978 4.0978 8.9725 8.9725 10.9323 10.9323 20.2905 20.2905 22.6563 22.6563 k = 0.5000 0.1176 0.4460 ( 188 PWs) bands (ev): 1.6781 1.6781 4.0044 4.0044 9.1813 9.1813 11.1299 11.1299 20.2153 20.2153 22.5720 22.5720 k = 0.5000 0.1230 0.4385 ( 186 PWs) bands (ev): 1.5942 1.5942 3.9135 3.9135 9.3938 9.3938 11.3312 11.3312 20.1483 20.1483 22.4911 22.4911 k = 0.5000 0.1283 0.4309 ( 186 PWs) bands (ev): 1.5124 1.5124 3.8252 3.8252 9.6089 9.6089 11.5311 11.5311 20.0813 20.0813 22.4112 22.4112 k = 0.5000 0.1336 0.4234 ( 186 PWs) bands (ev): 1.4329 1.4329 3.7394 3.7394 9.8269 9.8269 11.7317 11.7317 20.0188 20.0188 22.3336 22.3336 k = 0.5000 0.1390 0.4158 ( 186 PWs) bands (ev): 1.3558 1.3558 3.6564 3.6564 10.0477 10.0477 11.9327 11.9327 19.9611 19.9611 22.2584 22.2584 k = 0.5000 0.1443 0.4082 ( 186 PWs) bands (ev): 1.2811 1.2811 3.5760 3.5760 10.2711 10.2711 12.1337 12.1337 19.9086 19.9086 22.1855 22.1855 k = 0.5000 0.1497 0.4007 ( 186 PWs) bands (ev): 1.2088 1.2088 3.4984 3.4984 10.4969 10.4969 12.3344 12.3344 19.8614 19.8614 22.1151 22.1151 k = 0.5000 0.1550 0.3931 ( 186 PWs) bands (ev): 1.1390 1.1390 3.4235 3.4235 10.7249 10.7249 12.5343 12.5343 19.8200 19.8200 22.0472 22.0472 k = 0.5000 0.1604 0.3856 ( 186 PWs) bands (ev): 1.0718 1.0718 3.3514 3.3514 10.9551 10.9551 12.7331 12.7331 19.7848 19.7848 21.9817 21.9817 k = 0.5000 0.1657 0.3780 ( 188 PWs) bands (ev): 1.0071 1.0071 3.2818 3.2818 11.1871 11.1871 12.9302 12.9302 19.7562 19.7562 21.9161 21.9161 k = 0.5000 0.1711 0.3704 ( 186 PWs) bands (ev): 0.9451 0.9451 3.2154 3.2154 11.4220 11.4220 13.1259 13.1259 19.7364 19.7364 21.8567 21.8567 k = 0.5000 0.1764 0.3629 ( 186 PWs) bands (ev): 0.8857 0.8857 3.1519 3.1519 11.6571 11.6571 13.3181 13.3181 19.7224 19.7224 21.7988 21.7988 k = 0.5000 0.1818 0.3553 ( 186 PWs) bands (ev): 0.8290 0.8290 3.0912 3.0912 11.8934 11.8934 13.5070 13.5070 19.7163 19.7163 21.7434 21.7434 k = 0.5000 0.1871 0.3478 ( 186 PWs) bands (ev): 0.7749 0.7749 3.0333 3.0333 12.1305 12.1305 13.6918 13.6918 19.7189 19.7189 21.6906 21.6906 k = 0.5000 0.1925 0.3402 ( 180 PWs) bands (ev): 0.7236 0.7236 2.9784 2.9784 12.3685 12.3685 13.8759 13.8759 19.7397 19.7397 21.6524 21.6524 k = 0.5000 0.1978 0.3326 ( 180 PWs) bands (ev): 0.6750 0.6750 2.9264 2.9264 12.6061 12.6061 14.0503 14.0503 19.7616 19.7616 21.6045 21.6045 k = 0.5000 0.2031 0.3251 ( 180 PWs) bands (ev): 0.6290 0.6290 2.8773 2.8773 12.8432 12.8432 14.2185 14.2185 19.7939 19.7939 21.5592 21.5592 k = 0.5000 0.2085 0.3175 ( 180 PWs) bands (ev): 0.5858 0.5858 2.8312 2.8312 13.0792 13.0792 14.3795 14.3795 19.8371 19.8371 21.5164 21.5164 k = 0.5000 0.2138 0.3100 ( 180 PWs) bands (ev): 0.5454 0.5454 2.7880 2.7880 13.3135 13.3135 14.5329 14.5329 19.8917 19.8917 21.4760 21.4760 k = 0.5000 0.2192 0.3024 ( 180 PWs) bands (ev): 0.5076 0.5076 2.7477 2.7477 13.5451 13.5451 14.6777 14.6777 19.9582 19.9582 21.4379 21.4379 k = 0.5000 0.2245 0.2948 ( 180 PWs) bands (ev): 0.4727 0.4727 2.7104 2.7104 13.7730 13.7730 14.8135 14.8135 20.0368 20.0368 21.4022 21.4022 k = 0.5000 0.2299 0.2873 ( 178 PWs) bands (ev): 0.4406 0.4406 2.6760 2.6760 13.9961 13.9961 14.9402 14.9402 20.1298 20.1298 21.3722 21.3722 k = 0.5000 0.2352 0.2797 ( 178 PWs) bands (ev): 0.4112 0.4112 2.6447 2.6447 14.2126 14.2126 15.0566 15.0566 20.2326 20.2326 21.3403 21.3403 k = 0.5000 0.2406 0.2722 ( 178 PWs) bands (ev): 0.3846 0.3846 2.6162 2.6162 14.4207 14.4207 15.1632 15.1632 20.3468 20.3468 21.3099 21.3099 k = 0.5000 0.2459 0.2646 ( 176 PWs) bands (ev): 0.3608 0.3608 2.5908 2.5908 14.6191 14.6191 15.2602 15.2602 20.4717 20.4717 21.2815 21.2815 k = 0.5000 0.2513 0.2570 ( 176 PWs) bands (ev): 0.3398 0.3398 2.5684 2.5684 14.8023 14.8023 15.3480 15.3480 20.6055 20.6055 21.2511 21.2511 k = 0.5000 0.2566 0.2495 ( 180 PWs) bands (ev): 0.3215 0.3215 2.5488 2.5488 14.9678 14.9678 15.4275 15.4275 20.7384 20.7384 21.2183 21.2183 k = 0.5000 0.2619 0.2419 ( 180 PWs) bands (ev): 0.3061 0.3061 2.5324 2.5324 15.1113 15.1113 15.5002 15.5002 20.8816 20.8816 21.1810 21.1810 k = 0.5000 0.2673 0.2344 ( 180 PWs) bands (ev): 0.2935 0.2935 2.5189 2.5189 15.2286 15.2286 15.5668 15.5668 21.0231 21.0231 21.1362 21.1362 k = 0.5000 0.2726 0.2268 ( 180 PWs) bands (ev): 0.2836 0.2836 2.5084 2.5084 15.3170 15.3170 15.6264 15.6264 21.0845 21.0845 21.1554 21.1554 k = 0.5000 0.2780 0.2192 ( 180 PWs) bands (ev): 0.2766 0.2766 2.5009 2.5009 15.3768 15.3768 15.6754 15.6754 21.0350 21.0350 21.2669 21.2669 k = 0.5000 0.2833 0.2117 ( 180 PWs) bands (ev): 0.2724 0.2724 2.4964 2.4964 15.4108 15.4108 15.7080 15.7080 20.9994 20.9994 21.3437 21.3437 k = 0.5000 0.2887 0.2041 ( 180 PWs) bands (ev): 0.2710 0.2710 2.4949 2.4949 15.4217 15.4217 15.7195 15.7195 20.9865 20.9865 21.3714 21.3714 k = 0.5000 0.2887 0.2041 ( 180 PWs) bands (ev): 0.2710 0.2710 2.4949 2.4949 15.4217 15.4217 15.7195 15.7195 20.9865 20.9865 21.3714 21.3714 k = 0.4973 0.2871 0.2128 ( 180 PWs) bands (ev): 0.2724 0.2724 2.4964 2.4964 15.4109 15.4109 15.7081 15.7081 20.9992 20.9992 21.3442 21.3442 k = 0.4947 0.2856 0.2215 ( 180 PWs) bands (ev): 0.2766 0.2766 2.5009 2.5009 15.3772 15.3772 15.6758 15.6758 21.0329 21.0329 21.2726 21.2726 k = 0.4920 0.2841 0.2302 ( 180 PWs) bands (ev): 0.2835 0.2835 2.5083 2.5083 15.3179 15.3179 15.6275 15.6275 21.0491 21.0491 21.2071 21.2071 k = 0.4894 0.2825 0.2389 ( 180 PWs) bands (ev): 0.2932 0.2932 2.5187 2.5187 15.2296 15.2296 15.5694 15.5694 20.9535 20.9535 21.2533 21.2533 k = 0.4867 0.2810 0.2476 ( 180 PWs) bands (ev): 0.3057 0.3057 2.5320 2.5320 15.1112 15.1112 15.5062 15.5062 20.8034 20.8034 21.3613 21.3613 k = 0.4840 0.2795 0.2562 ( 178 PWs) bands (ev): 0.3210 0.3210 2.5483 2.5483 14.9650 14.9650 15.4397 15.4397 20.6424 20.6424 21.4969 21.4969 k = 0.4814 0.2779 0.2649 ( 178 PWs) bands (ev): 0.3391 0.3391 2.5676 2.5676 14.7947 14.7947 15.3698 15.3698 20.4713 20.4713 21.6485 21.6485 k = 0.4787 0.2764 0.2736 ( 178 PWs) bands (ev): 0.3599 0.3599 2.5898 2.5898 14.6045 14.6045 15.2963 15.2963 20.2985 20.2985 21.8122 21.8123 k = 0.4761 0.2749 0.2823 ( 178 PWs) bands (ev): 0.3835 0.3835 2.6150 2.6150 14.3980 14.3980 15.2189 15.2189 20.1260 20.1260 21.9667 21.9667 k = 0.4734 0.2733 0.2910 ( 178 PWs) bands (ev): 0.4098 0.4098 2.6431 2.6431 14.1783 14.1783 15.1377 15.1377 19.9551 19.9551 22.1033 22.1033 k = 0.4707 0.2718 0.2997 ( 178 PWs) bands (ev): 0.4389 0.4389 2.6743 2.6743 13.9458 13.9458 15.0520 15.0520 19.7875 19.7875 22.2442 22.2442 k = 0.4681 0.2702 0.3084 ( 178 PWs) bands (ev): 0.4707 0.4707 2.7083 2.7083 13.7064 13.7064 14.9640 14.9640 19.6221 19.6221 22.3961 22.3961 k = 0.4654 0.2687 0.3170 ( 180 PWs) bands (ev): 0.5053 0.5053 2.7452 2.7452 13.4596 13.4596 14.8734 14.8734 19.4551 19.4551 22.5558 22.5558 k = 0.4628 0.2672 0.3257 ( 180 PWs) bands (ev): 0.5426 0.5426 2.7851 2.7851 13.2074 13.2074 14.7805 14.7805 19.2966 19.2966 22.7246 22.7246 k = 0.4601 0.2656 0.3344 ( 180 PWs) bands (ev): 0.5826 0.5826 2.8279 2.8279 12.9508 12.9508 14.6858 14.6858 19.1418 19.1418 22.9010 22.9010 k = 0.4574 0.2641 0.3431 ( 182 PWs) bands (ev): 0.6254 0.6254 2.8735 2.8735 12.6904 12.6904 14.5890 14.5890 18.9904 18.9904 23.0772 23.0772 k = 0.4548 0.2626 0.3518 ( 182 PWs) bands (ev): 0.6709 0.6709 2.9221 2.9221 12.4274 12.4274 14.4920 14.4920 18.8430 18.8430 23.2675 23.2675 k = 0.4521 0.2610 0.3605 ( 182 PWs) bands (ev): 0.7190 0.7190 2.9736 2.9736 12.1625 12.1625 14.3943 14.3943 18.6992 18.6992 23.4641 23.4641 k = 0.4495 0.2595 0.3692 ( 182 PWs) bands (ev): 0.7699 0.7699 3.0280 3.0280 11.8961 11.8961 14.2964 14.2964 18.5592 18.5592 23.6666 23.6667 k = 0.4468 0.2580 0.3778 ( 182 PWs) bands (ev): 0.8234 0.8234 3.0852 3.0852 11.6289 11.6289 14.1985 14.1985 18.4228 18.4228 23.8747 23.8747 k = 0.4441 0.2564 0.3865 ( 182 PWs) bands (ev): 0.8796 0.8796 3.1452 3.1452 11.3613 11.3613 14.1009 14.1009 18.2901 18.2901 24.0880 24.0881 k = 0.4415 0.2549 0.3952 ( 182 PWs) bands (ev): 0.9384 0.9384 3.2081 3.2081 11.0938 11.0938 14.0038 14.0038 18.1610 18.1610 24.3063 24.3063 k = 0.4388 0.2534 0.4039 ( 184 PWs) bands (ev): 0.9997 0.9997 3.2738 3.2738 10.8249 10.8249 13.9074 13.9074 18.0330 18.0330 24.5264 24.5264 k = 0.4362 0.2518 0.4126 ( 184 PWs) bands (ev): 1.0637 1.0637 3.3422 3.3422 10.5585 10.5585 13.8121 13.8121 17.9111 17.9111 24.7535 24.7535 k = 0.4335 0.2503 0.4213 ( 182 PWs) bands (ev): 1.1302 1.1302 3.4138 3.4138 10.2933 10.2933 13.7181 13.7181 17.7932 17.7932 24.9883 24.9883 k = 0.4309 0.2488 0.4300 ( 182 PWs) bands (ev): 1.1992 1.1992 3.4877 3.4877 10.0294 10.0294 13.6253 13.6253 17.6783 17.6783 25.2220 25.2220 k = 0.4282 0.2472 0.4386 ( 182 PWs) bands (ev): 1.2706 1.2706 3.5643 3.5643 9.7671 9.7671 13.5340 13.5340 17.5669 17.5669 25.4562 25.4562 k = 0.4255 0.2457 0.4473 ( 182 PWs) bands (ev): 1.3444 1.3444 3.6435 3.6435 9.5068 9.5068 13.4443 13.4443 17.4590 17.4590 25.6760 25.6760 k = 0.4229 0.2441 0.4560 ( 182 PWs) bands (ev): 1.4205 1.4205 3.7253 3.7253 9.2487 9.2487 13.3563 13.3563 17.3544 17.3544 25.8108 25.8108 k = 0.4202 0.2426 0.4647 ( 182 PWs) bands (ev): 1.4989 1.4989 3.8096 3.8096 8.9931 8.9931 13.2701 13.2701 17.2532 17.2532 25.8594 25.8594 k = 0.4176 0.2411 0.4734 ( 180 PWs) bands (ev): 1.5795 1.5795 3.8966 3.8966 8.7403 8.7403 13.1859 13.1859 17.1562 17.1562 25.8528 25.8528 k = 0.4149 0.2395 0.4821 ( 180 PWs) bands (ev): 1.6621 1.6621 3.9856 3.9856 8.4906 8.4906 13.1037 13.1037 17.0617 17.0617 25.7937 25.7937 k = 0.4122 0.2380 0.4908 ( 182 PWs) bands (ev): 1.7466 1.7466 4.0766 4.0766 8.2442 8.2442 13.0229 13.0229 16.9692 16.9692 25.6888 25.6888 k = 0.4096 0.2365 0.4995 ( 182 PWs) bands (ev): 1.8328 1.8328 4.1697 4.1697 8.0019 8.0019 12.9450 12.9450 16.8814 16.8814 25.5518 25.5518 k = 0.4069 0.2349 0.5081 ( 182 PWs) bands (ev): 1.9206 1.9206 4.2643 4.2643 7.7642 7.7642 12.8694 12.8694 16.7968 16.7968 25.3892 25.3892 k = 0.4043 0.2334 0.5168 ( 183 PWs) bands (ev): 2.0096 2.0096 4.3603 4.3603 7.5315 7.5315 12.7960 12.7960 16.7144 16.7144 25.2073 25.2073 k = 0.4016 0.2319 0.5255 ( 183 PWs) bands (ev): 2.0997 2.0997 4.4570 4.4570 7.3050 7.3050 12.7251 12.7251 16.6363 16.6363 25.0133 25.0133 k = 0.3989 0.2303 0.5342 ( 185 PWs) bands (ev): 2.1903 2.1903 4.5538 4.5538 7.0840 7.0840 12.6565 12.6565 16.5583 16.5583 24.8075 24.8075 k = 0.3963 0.2288 0.5429 ( 185 PWs) bands (ev): 2.2811 2.2811 4.6495 4.6495 6.8736 6.8736 12.5904 12.5904 16.4867 16.4867 24.5983 24.5983 k = 0.3936 0.2273 0.5516 ( 185 PWs) bands (ev): 2.3712 2.3712 4.7424 4.7424 6.6747 6.6747 12.5268 12.5268 16.4184 16.4184 24.3851 24.3851 k = 0.3910 0.2257 0.5603 ( 185 PWs) bands (ev): 2.4599 2.4599 4.8298 4.8298 6.4906 6.4906 12.4658 12.4658 16.3533 16.3533 24.1693 24.1693 k = 0.3883 0.2242 0.5689 ( 185 PWs) bands (ev): 2.5460 2.5460 4.9074 4.9074 6.3269 6.3269 12.4074 12.4074 16.2914 16.2914 23.9522 23.9522 k = 0.3856 0.2226 0.5776 ( 186 PWs) bands (ev): 2.6279 2.6279 4.9688 4.9688 6.1915 6.1915 12.3515 12.3515 16.2309 16.2309 23.7343 23.7343 k = 0.3830 0.2211 0.5863 ( 186 PWs) bands (ev): 2.7037 2.7037 5.0058 5.0058 6.0948 6.0948 12.2984 12.2984 16.1755 16.1755 23.5167 23.5167 k = 0.3803 0.2196 0.5950 ( 186 PWs) bands (ev): 2.7708 2.7708 5.0115 5.0115 6.0463 6.0463 12.2479 12.2479 16.1232 16.1232 23.2999 23.2999 k = 0.3777 0.2180 0.6037 ( 186 PWs) bands (ev): 2.8256 2.8256 4.9869 4.9869 6.0482 6.0482 12.2001 12.2001 16.0741 16.0741 23.0841 23.0841 k = 0.3750 0.2165 0.6124 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.6250-0.0722 0.4082 ( 186 PWs) bands (ev): 2.8643 2.8643 4.9436 4.9436 6.0931 6.0931 12.1550 12.1550 16.0283 16.0283 22.8697 22.8697 k = 0.6204-0.0802 0.4082 ( 186 PWs) bands (ev): 2.9086 2.9086 4.8627 4.8627 6.2110 6.2110 12.0803 12.0803 15.9526 15.9526 22.4982 22.4982 k = 0.6157-0.0882 0.4082 ( 186 PWs) bands (ev): 2.9412 2.9412 4.7848 4.7848 6.3458 6.3458 12.0082 12.0082 15.8798 15.8798 22.1279 22.1279 k = 0.6111-0.0962 0.4082 ( 186 PWs) bands (ev): 2.9635 2.9635 4.7098 4.7098 6.4962 6.4962 11.9388 11.9388 15.8099 15.8099 21.7590 21.7590 k = 0.6065-0.1042 0.4082 ( 184 PWs) bands (ev): 2.9769 2.9769 4.6379 4.6379 6.6607 6.6607 11.8721 11.8721 15.7450 15.7450 21.3925 21.3925 k = 0.6019-0.1123 0.4082 ( 184 PWs) bands (ev): 2.9827 2.9827 4.5689 4.5689 6.8377 6.8377 11.8081 11.8081 15.6807 15.6807 21.0277 21.0277 k = 0.5972-0.1203 0.4082 ( 186 PWs) bands (ev): 2.9823 2.9823 4.5023 4.5023 7.0258 7.0258 11.7467 11.7467 15.6201 15.6201 20.6600 20.6600 k = 0.5926-0.1283 0.4082 ( 186 PWs) bands (ev): 2.9768 2.9768 4.4394 4.4394 7.2236 7.2236 11.6882 11.6882 15.5614 15.5614 20.3005 20.3005 k = 0.5880-0.1363 0.4082 ( 186 PWs) bands (ev): 2.9673 2.9673 4.3794 4.3794 7.4298 7.4298 11.6325 11.6325 15.5056 15.5056 19.9442 19.9442 k = 0.5833-0.1443 0.4082 ( 190 PWs) bands (ev): 2.9548 2.9548 4.3225 4.3225 7.6433 7.6433 11.5788 11.5788 15.4492 15.4492 19.5913 19.5913 k = 0.5787-0.1524 0.4082 ( 188 PWs) bands (ev): 2.9401 2.9401 4.2686 4.2686 7.8653 7.8653 11.5288 11.5288 15.3995 15.3995 19.2485 19.2485 k = 0.5741-0.1604 0.4082 ( 188 PWs) bands (ev): 2.9239 2.9239 4.2179 4.2179 8.0902 8.0902 11.4815 11.4815 15.3522 15.3522 18.9034 18.9034 k = 0.5694-0.1684 0.4082 ( 188 PWs) bands (ev): 2.9068 2.9068 4.1701 4.1701 8.3193 8.3193 11.4371 11.4371 15.3077 15.3077 18.5630 18.5630 k = 0.5648-0.1764 0.4082 ( 188 PWs) bands (ev): 2.8891 2.8891 4.1255 4.1255 8.5518 8.5518 11.3956 11.3956 15.2660 15.2660 18.2278 18.2278 k = 0.5602-0.1844 0.4082 ( 188 PWs) bands (ev): 2.8715 2.8715 4.0839 4.0839 8.7866 8.7866 11.3570 11.3570 15.2271 15.2271 17.8984 17.8984 k = 0.5556-0.1925 0.4082 ( 192 PWs) bands (ev): 2.8541 2.8541 4.0452 4.0452 9.0224 9.0224 11.3211 11.3211 15.1910 15.1910 17.5712 17.5712 k = 0.5509-0.2005 0.4082 ( 192 PWs) bands (ev): 2.8373 2.8373 4.0098 4.0098 9.2585 9.2585 11.2884 11.2884 15.1576 15.1576 17.2560 17.2560 k = 0.5463-0.2085 0.4082 ( 190 PWs) bands (ev): 2.8214 2.8214 3.9774 3.9774 9.4955 9.4955 11.2588 11.2588 15.1278 15.1278 16.9560 16.9560 k = 0.5417-0.2165 0.4082 ( 190 PWs) bands (ev): 2.8064 2.8064 3.9481 3.9481 9.7271 9.7271 11.2322 11.2322 15.0997 15.0997 16.6599 16.6599 k = 0.5370-0.2245 0.4082 ( 190 PWs) bands (ev): 2.7927 2.7927 3.9219 3.9219 9.9533 9.9533 11.2090 11.2090 15.0742 15.0742 16.3763 16.3763 k = 0.5324-0.2325 0.4082 ( 190 PWs) bands (ev): 2.7802 2.7802 3.8988 3.8988 10.1714 10.1714 11.1892 11.1892 15.0509 15.0509 16.1077 16.1077 k = 0.5278-0.2406 0.4082 ( 190 PWs) bands (ev): 2.7693 2.7693 3.8787 3.8787 10.3776 10.3776 11.1733 11.1733 15.0296 15.0296 15.8578 15.8578 k = 0.5231-0.2486 0.4082 ( 190 PWs) bands (ev): 2.7598 2.7598 3.8617 3.8617 10.5668 10.5668 11.1621 11.1621 15.0094 15.0094 15.6316 15.6316 k = 0.5185-0.2566 0.4082 ( 190 PWs) bands (ev): 2.7520 2.7520 3.8478 3.8478 10.7320 10.7320 11.1573 11.1573 14.9891 14.9891 15.4357 15.4357 k = 0.5139-0.2646 0.4082 ( 190 PWs) bands (ev): 2.7459 2.7459 3.8370 3.8370 10.8636 10.8636 11.1619 11.1619 14.9658 14.9658 15.2793 15.2793 k = 0.5093-0.2726 0.4082 ( 190 PWs) bands (ev): 2.7414 2.7414 3.8293 3.8293 10.9513 10.9513 11.1791 11.1791 14.9368 14.9368 15.1724 15.1724 k = 0.5046-0.2807 0.4082 ( 190 PWs) bands (ev): 2.7388 2.7388 3.8247 3.8247 10.9945 10.9945 11.2025 11.2025 14.9075 14.9075 15.1166 15.1166 k = 0.5000-0.2887 0.4082 ( 190 PWs) bands (ev): 2.7379 2.7379 3.8231 3.8231 11.0063 11.0063 11.2135 11.2135 14.8946 14.8946 15.1005 15.1005 Writing output data file Ge.save init_run : 0.01s CPU 0.15s WALL ( 1 calls) electrons : 15.15s CPU 15.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 15.15s CPU 15.81s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 499 calls) cegterg : 13.93s CPU 14.34s WALL ( 519 calls) Called by sum_band: Called by *egterg: h_psi : 4.23s CPU 4.45s WALL ( 7254 calls) s_psi : 0.04s CPU 0.05s WALL ( 7254 calls) g_psi : 0.01s CPU 0.01s WALL ( 6236 calls) cdiaghg : 9.00s CPU 9.18s WALL ( 6735 calls) cegterg:over : 0.46s CPU 0.48s WALL ( 6236 calls) cegterg:upda : 0.29s CPU 0.34s WALL ( 6236 calls) cegterg:last : 0.15s CPU 0.15s WALL ( 1304 calls) cdiaghg:chol : 0.58s CPU 0.58s WALL ( 6735 calls) cdiaghg:inve : 0.17s CPU 0.14s WALL ( 6735 calls) cdiaghg:para : 0.73s CPU 0.74s WALL ( 13470 calls) Called by h_psi: h_psi:vloc : 3.95s CPU 4.15s WALL ( 7254 calls) h_psi:vnl : 0.27s CPU 0.28s WALL ( 7254 calls) add_vuspsi : 0.06s CPU 0.07s WALL ( 7254 calls) General routines calbec : 0.20s CPU 0.19s WALL ( 7254 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 3.74s CPU 3.93s WALL ( 206596 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.04s CPU 0.12s WALL ( 998 calls) Parallel routines fft_scatter : 2.98s CPU 3.12s WALL ( 206619 calls) PWSCF : 18.79s CPU 30.70s WALL This run was terminated on: 19: 8: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=